# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_I
_database_code_depnum_ccdc_archive 'CCDC 2285952'
loop_
_audit_author_name
_audit_author_address
'Maxim Avdeev'
;Australian Nuclear Science and Technology Organisation
Australia
;
_audit_update_record             
;
2023-07-31 deposited with the CCDC.	2023-09-25 downloaded from the CCDC.
;
#=======================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic        Li5.5La3Nb1.5Zr0.5O12
_chemical_name_common            LLNZO
_chemical_formula_moiety         ?
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_formula_iupac          ?
_chemical_formula_sum            'La3 Li5.6 Nb1.5 O12 Zr0.5'
_chemical_formula_weight         832.6
_chemical_melting_point          ?
_chemical_compound_source        ?
_chemical_absolute_configuration .

#=======================================================================

# 6. CRYSTAL DATA

_symmetry_cell_setting           cubic
_symmetry_space_group_name_H-M   'I a -3 d'
_symmetry_space_group_name_Hall  ?
_symmetry_Int_Tables_number      230

loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y+1/2,z
3 -x,y+1/2,-z+1/2
4 x,-y,-z+1/2
5 z,x,y
6 z,-x,-y+1/2
7 -z,-x+1/2,y
8 -z,x+1/2,-y+1/2
9 y,z,x
10 -y,z+1/2,-x+1/2
11 y,-z,-x+1/2
12 -y,-z+1/2,x
13 y+1/4,x+3/4,-z+3/4
14 -y+1/4,-x+1/4,-z+1/4
15 y+1/4,-x+1/4,z+3/4
16 -y+1/4,x+3/4,z+1/4
17 x+1/4,z+3/4,-y+3/4
18 -x+1/4,z+3/4,y+1/4
19 -x+1/4,-z+1/4,-y+1/4
20 x+1/4,-z+1/4,y+3/4
21 z+1/4,y+3/4,-x+3/4
22 z+1/4,-y+1/4,x+3/4
23 -z+1/4,y+3/4,x+1/4
24 -z+1/4,-y+1/4,-x+1/4
25 -x,-y,-z
26 x,y+1/2,-z
27 x,-y+1/2,z+1/2
28 -x,y,z+1/2
29 -z,-x,-y
30 -z,x,y+1/2
31 z,x+1/2,-y
32 z,-x+1/2,y+1/2
33 -y,-z,-x
34 y,-z+1/2,x+1/2
35 -y,z,x+1/2
36 y,z+1/2,-x
37 -y+1/4,-x+3/4,z+3/4
38 y+1/4,x+1/4,z+1/4
39 -y+1/4,x+1/4,-z+3/4
40 y+1/4,-x+3/4,-z+1/4
41 -x+1/4,-z+3/4,y+3/4
42 x+1/4,-z+3/4,-y+1/4
43 x+1/4,z+1/4,y+1/4
44 -x+1/4,z+1/4,-y+3/4
45 -z+1/4,-y+3/4,x+3/4
46 -z+1/4,y+1/4,-x+3/4
47 z+1/4,-y+3/4,-x+1/4
48 z+1/4,y+1/4,x+1/4
49 x+1/2,y+1/2,z+1/2
50 -x+1/2,-y,z+1/2
51 -x+1/2,y,-z
52 x+1/2,-y+1/2,-z
53 z+1/2,x+1/2,y+1/2
54 z+1/2,-x+1/2,-y
55 -z+1/2,-x,y+1/2
56 -z+1/2,x,-y
57 y+1/2,z+1/2,x+1/2
58 -y+1/2,z,-x
59 y+1/2,-z+1/2,-x
60 -y+1/2,-z,x+1/2
61 y+3/4,x+1/4,-z+1/4
62 -y+3/4,-x+3/4,-z+3/4
63 y+3/4,-x+3/4,z+1/4
64 -y+3/4,x+1/4,z+3/4
65 x+3/4,z+1/4,-y+1/4
66 -x+3/4,z+1/4,y+3/4
67 -x+3/4,-z+3/4,-y+3/4
68 x+3/4,-z+3/4,y+1/4
69 z+3/4,y+1/4,-x+1/4
70 z+3/4,-y+3/4,x+1/4
71 -z+3/4,y+1/4,x+3/4
72 -z+3/4,-y+3/4,-x+3/4
73 -x+1/2,-y+1/2,-z+1/2
74 x+1/2,y,-z+1/2
75 x+1/2,-y,z
76 -x+1/2,y+1/2,z
77 -z+1/2,-x+1/2,-y+1/2
78 -z+1/2,x+1/2,y
79 z+1/2,x,-y+1/2
80 z+1/2,-x,y
81 -y+1/2,-z+1/2,-x+1/2
82 y+1/2,-z,x
83 -y+1/2,z+1/2,x
84 y+1/2,z,-x+1/2
85 -y+3/4,-x+1/4,z+1/4
86 y+3/4,x+3/4,z+3/4
87 -y+3/4,x+3/4,-z+1/4
88 y+3/4,-x+1/4,-z+3/4
89 -x+3/4,-z+1/4,y+1/4
90 x+3/4,-z+1/4,-y+3/4
91 x+3/4,z+3/4,y+3/4
92 -x+3/4,z+3/4,-y+1/4
93 -z+3/4,-y+1/4,x+1/4
94 -z+3/4,y+3/4,-x+1/4
95 z+3/4,-y+1/4,-x+3/4
96 z+3/4,y+3/4,x+3/4

_cell_length_a                   12.8341(7)
_cell_length_b                   12.8341(7)
_cell_length_c                   12.8341(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2113.9(2)

loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
_twin_individual_twin_matrix_11
_twin_individual_twin_matrix_12
_twin_individual_twin_matrix_13
_twin_individual_twin_matrix_21
_twin_individual_twin_matrix_22
_twin_individual_twin_matrix_23
_twin_individual_twin_matrix_31
_twin_individual_twin_matrix_32
_twin_individual_twin_matrix_33
? ? ? ? ? ? ? ? ? ? ?

_cell_formula_units_Z            8

_cell_measurement_reflns_used    0
_cell_measurement_theta_min      0
_cell_measurement_theta_max      0
_cell_measurement_temperature    293
_cell_special_details            
; ?
;

_exptl_crystal_density_diffrn    5.232
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             783.064

_exptl_absorpt_coefficient_mu    0.073
_exptl_crystal_description       block
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_size_rad          ?
_exptl_crystal_colour            Colorless
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
? ? ? ?

#=======================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details           ?

_diffrn_ambient_temperature      293
_diffrn_source                   ?
_diffrn_source_power             ?
_diffrn_source_voltage           ?
_diffrn_source_current           ?
_diffrn_radiation_type           neutron
_diffrn_radiation_source         ?
_diffrn_radiation_wavelength     0.710747
_diffrn_radiation_monochromator  ?
_diffrn_measurement_device       'Laue image-plate diffractometer'
_diffrn_measurement_device_type  KOALA
_diffrn_detector                 ?
_diffrn_detector_area_resol_mean ?
_diffrn_measurement_method       ?
_diffrn_measurement_specimen_support ?

_diffrn_reflns_number            1116
_diffrn_reflns_theta_min         3.89
_diffrn_reflns_theta_max         45.35
_diffrn_reflns_theta_full        45.35
_diffrn_measured_fraction_theta_max 0.77
_diffrn_measured_fraction_theta_full 0.77
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_av_unetI/netI     0.3992
_diffrn_reflns_limit_h_min       2
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_reduction_process ?

_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?

_diffrn_radiation_probe          neutron

#=======================================================================

# 8. REFINEMENT DATA

_refine_special_details          
; ?
;

_reflns_number_total             1116
_reflns_number_gt                491
_reflns_threshold_expression     I>3σ(I)

_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0460
_refine_ls_wR_factor_gt          0.0501
_refine_ls_R_factor_all          0.0460
_refine_ls_wR_factor_ref         0.0501
_refine_ls_goodness_of_fit_ref   1.2189
_refine_ls_goodness_of_fit_gt    1.2189
_refine_ls_restrained_S_gt       ?
_refine_ls_restrained_S_all      ?
_refine_ls_number_reflns         491
_refine_ls_number_parameters     26
_refine_ls_number_restraints     0
_refine_ls_number_constraints    0
_refine_ls_weighting_scheme      sigma
_refine_ls_weighting_details     w=1/(σ²(I)+0.0004I²)
_refine_ls_hydrogen_treatment    ?
_refine_ls_shift/su_max          0.0301
_refine_ls_shift/su_mean         0.0098
_refine_diff_density_max         1.07
_refine_diff_density_min         -1.38
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_extinction_expression ?
_refine_ls_abs_structure_details ?
_refine_ls_abs_structure_Flack   ?
_refine_ls_abs_structure_Rogers  ?

loop_
_atom_type_symbol
_atom_type_scat_length_neutron
_atom_type_scat_source
La 8.240 International_Tables_Vol_C
Li -1.900 International_Tables_Vol_C
Nb 7.054 International_Tables_Vol_C
O 5.803 International_Tables_Vol_C
Zr 7.160 International_Tables_Vol_C

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  ?
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_restr_distance_atom_site_label_1
_restr_distance_site_symmetry_1
_restr_distance_atom_site_label_2
_restr_distance_site_symmetry_2
_restr_distance_target
_restr_distance_target_weight_param
? ? ? ? ? ?

loop_
_restr_angle_atom_site_label_1
_restr_angle_site_symmetry_1
_restr_angle_atom_site_label_2
_restr_angle_site_symmetry_2
_restr_angle_atom_site_label_3
_restr_angle_site_symmetry_3
_restr_angle_target
_restr_angle_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_torsion_atom_site_label_1
_restr_torsion_site_symmetry_1
_restr_torsion_atom_site_label_2
_restr_torsion_site_symmetry_2
_restr_torsion_atom_site_label_3
_restr_torsion_site_symmetry_3
_restr_torsion_atom_site_label_4
_restr_torsion_site_symmetry_4
_restr_torsion_angle_target
_restr_torsion_weight_param
? ? ? ? ? ? ? ? ? ?

loop_
_restr_equal_distance_atom_site_label_1
_restr_equal_distance_site_symmetry_1
_restr_equal_distance_atom_site_label_2
_restr_equal_distance_site_symmetry_2
_restr_equal_distance_class_class_id
_restr_equal_distance_class_target_weight_param
? ? ? ? ? ?

loop_
_restr_equal_angle_atom_site_label_1
_restr_equal_angle_site_symmetry_1
_restr_equal_angle_atom_site_label_2
_restr_equal_angle_site_symmetry_2
_restr_equal_angle_atom_site_label_3
_restr_equal_angle_site_symmetry_3
_restr_equal_angle_class_class_id
_restr_equal_angle_class_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_equal_torsion_atom_site_label_1
_restr_equal_torsion_site_symmetry_1
_restr_equal_torsion_atom_site_label_2
_restr_equal_torsion_site_symmetry_2
_restr_equal_torsion_atom_site_label_3
_restr_equal_torsion_site_symmetry_3
_restr_equal_torsion_atom_site_label_4
_restr_equal_torsion_site_symmetry_4
_restr_equal_torsion_class_class_id
_restr_equal_torsion_class_target_weight_param
? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_site_symmetry_multiplicity
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Li1 Li 0.75 0.125 -0 Uani 0.0355(16) 24 0.68(2) d . . .
Li2 Li 0.6505(5) 0.1743(5) 0.0624(5) Uani 0.026(2) 96 0.297(8) d . . .
La La 0.25 0.125 0 Uani 0.00994(12) 24 1 d . . .
Zr Zr 0.25 0.25 0.25 Uiso 0.0024 16 0.25 d . . .
Nb Nb 0.25 0.25 0.25 Uiso 0.0024 16 0.75 d . . .
O O 0.19831(4) 0.28014(4) 0.10395(4) Uani 0.01321(12) 96 1 d . . .


loop_
_jana_atom_site_ADP_C_label
_jana_atom_site_ADP_C_type_symbol
_jana_atom_site_ADP_C_111
_jana_atom_site_ADP_C_112
_jana_atom_site_ADP_C_113
_jana_atom_site_ADP_C_122
_jana_atom_site_ADP_C_123
_jana_atom_site_ADP_C_133
_jana_atom_site_ADP_C_222
_jana_atom_site_ADP_C_223
_jana_atom_site_ADP_C_233
_jana_atom_site_ADP_C_333
? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_D_label
_jana_atom_site_ADP_D_type_symbol
_jana_atom_site_ADP_D_1111
_jana_atom_site_ADP_D_1112
_jana_atom_site_ADP_D_1113
_jana_atom_site_ADP_D_1122
_jana_atom_site_ADP_D_1123
_jana_atom_site_ADP_D_1133
_jana_atom_site_ADP_D_1222
_jana_atom_site_ADP_D_1223
_jana_atom_site_ADP_D_1233
_jana_atom_site_ADP_D_1333
_jana_atom_site_ADP_D_2222
_jana_atom_site_ADP_D_2223
_jana_atom_site_ADP_D_2233
_jana_atom_site_ADP_D_2333
_jana_atom_site_ADP_D_3333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_E_label
_jana_atom_site_ADP_E_type_symbol
_jana_atom_site_ADP_E_11111
_jana_atom_site_ADP_E_11112
_jana_atom_site_ADP_E_11113
_jana_atom_site_ADP_E_11122
_jana_atom_site_ADP_E_11123
_jana_atom_site_ADP_E_11133
_jana_atom_site_ADP_E_11222
_jana_atom_site_ADP_E_11223
_jana_atom_site_ADP_E_11233
_jana_atom_site_ADP_E_11333
_jana_atom_site_ADP_E_12222
_jana_atom_site_ADP_E_12223
_jana_atom_site_ADP_E_12233
_jana_atom_site_ADP_E_12333
_jana_atom_site_ADP_E_13333
_jana_atom_site_ADP_E_22222
_jana_atom_site_ADP_E_22223
_jana_atom_site_ADP_E_22233
_jana_atom_site_ADP_E_22333
_jana_atom_site_ADP_E_23333
_jana_atom_site_ADP_E_33333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_F_label
_jana_atom_site_ADP_F_type_symbol
_jana_atom_site_ADP_F_111111
_jana_atom_site_ADP_F_111112
_jana_atom_site_ADP_F_111113
_jana_atom_site_ADP_F_111122
_jana_atom_site_ADP_F_111123
_jana_atom_site_ADP_F_111133
_jana_atom_site_ADP_F_111222
_jana_atom_site_ADP_F_111223
_jana_atom_site_ADP_F_111233
_jana_atom_site_ADP_F_111333
_jana_atom_site_ADP_F_112222
_jana_atom_site_ADP_F_112223
_jana_atom_site_ADP_F_112233
_jana_atom_site_ADP_F_112333
_jana_atom_site_ADP_F_113333
_jana_atom_site_ADP_F_122222
_jana_atom_site_ADP_F_122223
_jana_atom_site_ADP_F_122233
_jana_atom_site_ADP_F_122333
_jana_atom_site_ADP_F_123333
_jana_atom_site_ADP_F_133333
_jana_atom_site_ADP_F_222222
_jana_atom_site_ADP_F_222223
_jana_atom_site_ADP_F_222233
_jana_atom_site_ADP_F_222333
_jana_atom_site_ADP_F_223333
_jana_atom_site_ADP_F_233333
_jana_atom_site_ADP_F_333333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 10. MOLECULAR GEOMETRY


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Li1 Li2 . . 1.635(6) ?
Li1 Li2 . 51_655 1.635(6) ?
Li1 Li2 . 19_655 2.306(6) ?
Li1 Li2 . 20_554 2.306(6) ?
Li1 Li2 . 35_654 2.306(6) ?
Li1 Li2 . 84_555 2.306(6) ?
Li1 Li2 . 93_554 1.635(6) ?
Li1 Li2 . 95_555 1.635(6) ?
Li1 La . 2_655 3.2085(3) ?
Li1 La . 25_655 3.2085(3) ?
Li1 O . 2_655 1.9241(5) ?
Li1 O . 52_555 1.9241(5) ?
Li1 O . 94_545 1.9241(5) ?
Li1 O . 96_544 1.9241(5) ?
Li2 Li2 . 51_655 3.015(9) ?
Li2 Li2 . 19_655 0.698(9) ?
Li2 Li2 . 78_545 3.102(9) ?
Li2 Li2 . 80_565 2.897(9) ?
Li2 Li2 . 35_654 2.897(9) ?
Li2 Li2 . 84_555 3.102(9) ?
Li2 Li2 . 93_554 2.479(9) ?
Li2 Li2 . 95_555 2.479(9) ?
Li2 La . 2_655 2.985(6) ?
Li2 La . 54_555 3.235(7) ?
Li2 La . 82_555 3.302(7) ?
Li2 Zr . 2_655 2.893(7) ?
Li2 Zr . 15_554 3.062(6) ?
Li2 Nb . 2_655 2.893(7) ?
Li2 Nb . 15_554 3.062(6) ?
Li2 O . 94_545 1.856(6) ?
La La . 5_555 3.9296(3) ?
La La . 54_555 3.9296(3) ?
La La . 9_555 3.9296(3) ?
La La . 58_555 3.9296(3) ?
La Zr . . 3.5872(3) ?
La Zr . 51_555 3.5872(3) ?
La Zr . 14_555 3.5872(3) ?
La Zr . 15_554 3.5872(3) ?
La O . . 2.4868(5) ?
La O . 51_555 2.4868(5) ?
La O . 22_554 2.4868(5) ?
La O . 24_555 2.4868(5) ?
Zr Nb . . 0 ?
Zr O . . 2.0256(5) ?
Zr O . 5_555 2.0256(5) ?
Zr O . 9_555 2.0256(5) ?
Zr O . 73_555 2.0256(5) ?
Zr O . 77_555 2.0256(5) ?
Zr O . 81_555 2.0256(5) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Li2 Li1 Li2 . . 51_655 134.5(3) ?
Li2 Li1 Li2 . . 19_655 5.6(3) ?
Li2 Li1 Li2 . . 20_554 136.5(3) ?
Li2 Li1 Li2 . . 35_654 93.0(3) ?
Li2 Li1 Li2 . . 84_555 102.5(3) ?
Li2 Li1 Li2 . . 93_554 98.6(3) ?
Li2 Li1 Li2 . . 95_555 98.6(3) ?
Li2 Li1 La . . 2_655 67.2(2) ?
Li2 Li1 La . . 25_655 112.8(2) ?
Li2 Li1 O . . 2_655 71.6(2) ?
Li2 Li1 O . . 52_555 80.0(2) ?
Li2 Li1 O . . 94_545 62.2(2) ?
Li2 Li1 O . . 96_544 162.8(2) ?
Li2 Li1 Li2 51_655 . 19_655 136.5(3) ?
Li2 Li1 Li2 51_655 . 20_554 5.6(3) ?
Li2 Li1 Li2 51_655 . 35_654 102.5(3) ?
Li2 Li1 Li2 51_655 . 84_555 93.0(3) ?
Li2 Li1 Li2 51_655 . 93_554 98.6(3) ?
Li2 Li1 Li2 51_655 . 95_555 98.6(3) ?
Li2 Li1 La 51_655 . 2_655 67.2(2) ?
Li2 Li1 La 51_655 . 25_655 112.8(2) ?
Li2 Li1 O 51_655 . 2_655 80.0(2) ?
Li2 Li1 O 51_655 . 52_555 71.6(2) ?
Li2 Li1 O 51_655 . 94_545 162.8(2) ?
Li2 Li1 O 51_655 . 96_544 62.2(2) ?
Li2 Li1 Li2 19_655 . 20_554 139.3(2) ?
Li2 Li1 Li2 19_655 . 35_654 97.0(2) ?
Li2 Li1 Li2 19_655 . 84_555 97.0(2) ?
Li2 Li1 Li2 19_655 . 93_554 93.0(3) ?
Li2 Li1 Li2 19_655 . 95_555 102.5(3) ?
Li2 Li1 La 19_655 . 2_655 69.63(17) ?
Li2 Li1 La 19_655 . 25_655 110.37(17) ?
Li2 Li1 O 19_655 . 2_655 77.08(16) ?
Li2 Li1 O 19_655 . 52_555 77.47(16) ?
Li2 Li1 O 19_655 . 94_545 59.62(17) ?
Li2 Li1 O 19_655 . 96_544 161.12(17) ?
Li2 Li1 Li2 20_554 . 35_654 97.0(2) ?
Li2 Li1 Li2 20_554 . 84_555 97.0(2) ?
Li2 Li1 Li2 20_554 . 93_554 102.5(3) ?
Li2 Li1 Li2 20_554 . 95_555 93.0(3) ?
Li2 Li1 La 20_554 . 2_655 69.63(17) ?
Li2 Li1 La 20_554 . 25_655 110.37(17) ?
Li2 Li1 O 20_554 . 2_655 77.47(16) ?
Li2 Li1 O 20_554 . 52_555 77.08(16) ?
Li2 Li1 O 20_554 . 94_545 161.12(17) ?
Li2 Li1 O 20_554 . 96_544 59.62(17) ?
Li2 Li1 Li2 35_654 . 84_555 139.3(2) ?
Li2 Li1 Li2 35_654 . 93_554 136.5(3) ?
Li2 Li1 Li2 35_654 . 95_555 5.6(3) ?
Li2 Li1 La 35_654 . 2_655 110.37(17) ?
Li2 Li1 La 35_654 . 25_655 69.63(17) ?
Li2 Li1 O 35_654 . 2_655 59.62(17) ?
Li2 Li1 O 35_654 . 52_555 161.12(17) ?
Li2 Li1 O 35_654 . 94_545 77.47(16) ?
Li2 Li1 O 35_654 . 96_544 77.08(16) ?
Li2 Li1 Li2 84_555 . 93_554 5.6(3) ?
Li2 Li1 Li2 84_555 . 95_555 136.5(3) ?
Li2 Li1 La 84_555 . 2_655 110.37(17) ?
Li2 Li1 La 84_555 . 25_655 69.63(17) ?
Li2 Li1 O 84_555 . 2_655 161.12(17) ?
Li2 Li1 O 84_555 . 52_555 59.62(17) ?
Li2 Li1 O 84_555 . 94_545 77.08(16) ?
Li2 Li1 O 84_555 . 96_544 77.47(16) ?
Li2 Li1 Li2 93_554 . 95_555 134.5(3) ?
Li2 Li1 La 93_554 . 2_655 112.8(2) ?
Li2 Li1 La 93_554 . 25_655 67.2(2) ?
Li2 Li1 O 93_554 . 2_655 162.8(2) ?
Li2 Li1 O 93_554 . 52_555 62.2(2) ?
Li2 Li1 O 93_554 . 94_545 71.6(2) ?
Li2 Li1 O 93_554 . 96_544 80.0(2) ?
Li2 Li1 La 95_555 . 2_655 112.8(2) ?
Li2 Li1 La 95_555 . 25_655 67.2(2) ?
Li2 Li1 O 95_555 . 2_655 62.2(2) ?
Li2 Li1 O 95_555 . 52_555 162.8(2) ?
Li2 Li1 O 95_555 . 94_545 80.0(2) ?
Li2 Li1 O 95_555 . 96_544 71.6(2) ?
La Li1 La 2_655 . 25_655 180 ?
La Li1 O 2_655 . 2_655 50.747(14) ?
La Li1 O 2_655 . 52_555 50.747(14) ?
La Li1 O 2_655 . 94_545 129.253(14) ?
La Li1 O 2_655 . 96_544 129.253(14) ?
La Li1 O 25_655 . 2_655 129.253(14) ?
La Li1 O 25_655 . 52_555 129.253(14) ?
La Li1 O 25_655 . 94_545 50.747(14) ?
La Li1 O 25_655 . 96_544 50.747(14) ?
O Li1 O 2_655 . 52_555 101.49(2) ?
O Li1 O 2_655 . 94_545 113.60(2) ?
O Li1 O 2_655 . 96_544 113.60(2) ?
O Li1 O 52_555 . 94_545 113.60(2) ?
O Li1 O 52_555 . 96_544 113.60(2) ?
O Li1 O 94_545 . 96_544 101.49(2) ?
Li1 Li2 Li1 . . 65_455 171.0(4) ?
Li1 Li2 Li2 . . 51_655 22.76(17) ?
Li1 Li2 Li2 . . 19_655 161.3(9) ?
Li1 Li2 Li2 . . 78_545 151.3(3) ?
Li1 Li2 Li2 . . 80_565 148.0(4) ?
Li1 Li2 Li2 . . 35_654 52.7(2) ?
Li1 Li2 Li2 . . 84_555 46.5(2) ?
Li1 Li2 Li2 . . 93_554 40.7(2) ?
Li1 Li2 Li2 . . 95_555 40.7(2) ?
Li1 Li2 La . . 2_655 82.4(2) ?
Li1 Li2 La . . 54_555 102.6(3) ?
Li1 Li2 La . . 82_555 99.9(3) ?
Li1 Li2 Zr . . 2_655 101.1(3) ?
Li1 Li2 Zr . . 15_554 94.7(3) ?
Li1 Li2 Nb . . 2_655 101.1(3) ?
Li1 Li2 Nb . . 15_554 94.7(3) ?
Li1 Li2 O . . 94_545 66.5(2) ?
Li1 Li2 Li2 65_455 . 51_655 153.4(3) ?
Li1 Li2 Li2 65_455 . 19_655 13.2(7) ?
Li1 Li2 Li2 65_455 . 78_545 30.97(14) ?
Li1 Li2 Li2 65_455 . 80_565 34.30(16) ?
Li1 Li2 Li2 65_455 . 35_654 136.3(3) ?
Li1 Li2 Li2 65_455 . 84_555 125.7(3) ?
Li1 Li2 Li2 65_455 . 93_554 131.9(3) ?
Li1 Li2 Li2 65_455 . 95_555 148.2(4) ?
Li1 Li2 La 65_455 . 2_655 95.1(2) ?
Li1 Li2 La 65_455 . 54_555 68.42(15) ?
Li1 Li2 La 65_455 . 82_555 87.1(2) ?
Li1 Li2 Zr 65_455 . 2_655 86.5(2) ?
Li1 Li2 Zr 65_455 . 15_554 82.56(18) ?
Li1 Li2 Nb 65_455 . 2_655 86.5(2) ?
Li1 Li2 Nb 65_455 . 15_554 82.56(18) ?
Li1 Li2 O 65_455 . 94_545 114.8(3) ?
Li2 Li2 Li2 51_655 . 19_655 157.6(9) ?
Li2 Li2 Li2 51_655 . 78_545 172.8(3) ?
Li2 Li2 Li2 51_655 . 80_565 126.4(3) ?
Li2 Li2 Li2 51_655 . 35_654 63.3(2) ?
Li2 Li2 Li2 51_655 . 84_555 56.5(2) ?
Li2 Li2 Li2 51_655 . 93_554 52.5(2) ?
Li2 Li2 Li2 51_655 . 95_555 52.5(2) ?
Li2 Li2 La 51_655 . 2_655 59.66(17) ?
Li2 Li2 La 51_655 . 54_555 96.3(2) ?
Li2 Li2 La 51_655 . 82_555 118.1(2) ?
Li2 Li2 Zr 51_655 . 2_655 93.9(2) ?
Li2 Li2 Zr 51_655 . 15_554 113.3(2) ?
Li2 Li2 Nb 51_655 . 2_655 93.9(2) ?
Li2 Li2 Nb 51_655 . 15_554 113.3(2) ?
Li2 Li2 O 51_655 . 94_545 89.2(3) ?
Li2 Li2 Li2 19_655 . 78_545 23.7(7) ?
Li2 Li2 Li2 19_655 . 80_565 47.4(7) ?
Li2 Li2 Li2 19_655 . 35_654 139.0(9) ?
Li2 Li2 Li2 19_655 . 84_555 114.9(8) ?
Li2 Li2 Li2 19_655 . 93_554 120.6(8) ?
Li2 Li2 Li2 19_655 . 95_555 149.8(9) ?
Li2 Li2 La 19_655 . 2_655 104.9(8) ?
Li2 Li2 La 19_655 . 54_555 63.1(7) ?
Li2 Li2 La 19_655 . 82_555 83.9(8) ?
Li2 Li2 Zr 19_655 . 2_655 97.4(8) ?
Li2 Li2 Zr 19_655 . 15_554 69.5(7) ?
Li2 Li2 Nb 19_655 . 2_655 97.4(8) ?
Li2 Li2 Nb 19_655 . 15_554 69.5(7) ?
Li2 Li2 O 19_655 . 94_545 103.4(8) ?
Li2 Li2 Li2 78_545 . 80_565 60.2(2) ?
Li2 Li2 Li2 78_545 . 35_654 117.0(3) ?
Li2 Li2 Li2 78_545 . 84_555 116.7(3) ?
Li2 Li2 Li2 78_545 . 93_554 120.4(3) ?
Li2 Li2 Li2 78_545 . 95_555 126.8(3) ?
Li2 Li2 La 78_545 . 2_655 125.9(2) ?
Li2 Li2 La 78_545 . 54_555 81.23(19) ?
Li2 Li2 La 78_545 . 82_555 60.58(17) ?
Li2 Li2 Zr 78_545 . 2_655 92.1(2) ?
Li2 Li2 Zr 78_545 . 15_554 59.57(16) ?
Li2 Li2 Nb 78_545 . 2_655 92.1(2) ?
Li2 Li2 Nb 78_545 . 15_554 59.57(16) ?
Li2 Li2 O 78_545 . 94_545 84.8(2) ?
Li2 Li2 Li2 80_565 . 35_654 119.6(3) ?
Li2 Li2 Li2 80_565 . 84_555 146.5(3) ?
Li2 Li2 Li2 80_565 . 93_554 152.4(3) ?
Li2 Li2 Li2 80_565 . 95_555 128.9(3) ?
Li2 Li2 La 80_565 . 2_655 68.29(19) ?
Li2 Li2 La 80_565 . 54_555 84.4(2) ?
Li2 Li2 La 80_565 . 82_555 97.2(2) ?
Li2 Li2 Zr 80_565 . 2_655 59.95(19) ?
Li2 Li2 Zr 80_565 . 15_554 116.8(2) ?
Li2 Li2 Nb 80_565 . 2_655 59.95(19) ?
Li2 Li2 Nb 80_565 . 15_554 116.8(2) ?
Li2 Li2 O 80_565 . 94_545 143.0(3) ?
Li2 Li2 Li2 35_654 . 84_555 92.2(2) ?
Li2 Li2 Li2 35_654 . 93_554 85.7(3) ?
Li2 Li2 Li2 35_654 . 95_555 11.96(19) ?
Li2 Li2 La 35_654 . 2_655 101.6(2) ?
Li2 Li2 La 35_654 . 54_555 154.5(3) ?
Li2 Li2 La 35_654 . 82_555 57.11(17) ?
Li2 Li2 Zr 35_654 . 2_655 59.95(18) ?
Li2 Li2 Zr 35_654 . 15_554 103.3(2) ?
Li2 Li2 Nb 35_654 . 2_655 59.95(18) ?
Li2 Li2 Nb 35_654 . 15_554 103.3(2) ?
Li2 Li2 O 35_654 . 94_545 63.8(2) ?
Li2 Li2 Li2 84_555 . 93_554 6.5(2) ?
Li2 Li2 Li2 84_555 . 95_555 81.4(3) ?
Li2 Li2 La 84_555 . 2_655 96.9(2) ?
Li2 Li2 La 84_555 . 54_555 62.77(18) ?
Li2 Li2 La 84_555 . 82_555 109.8(2) ?
Li2 Li2 Zr 84_555 . 2_655 147.7(3) ?
Li2 Li2 Zr 84_555 . 15_554 59.57(17) ?
Li2 Li2 Nb 84_555 . 2_655 147.7(3) ?
Li2 Li2 Nb 84_555 . 15_554 59.57(17) ?
Li2 Li2 O 84_555 . 94_545 58.4(2) ?
Li2 Li2 Li2 93_554 . 95_555 74.9(3) ?
Li2 Li2 La 93_554 . 2_655 97.7(3) ?
Li2 Li2 La 93_554 . 54_555 69.2(2) ?
Li2 Li2 La 93_554 . 82_555 106.5(3) ?
Li2 Li2 Zr 93_554 . 2_655 141.7(3) ?
Li2 Li2 Zr 93_554 . 15_554 61.9(2) ?
Li2 Li2 Nb 93_554 . 2_655 141.7(3) ?
Li2 Li2 Nb 93_554 . 15_554 61.9(2) ?
Li2 Li2 O 93_554 . 94_545 55.6(2) ?
Li2 Li2 La 95_555 . 2_655 97.7(2) ?
Li2 Li2 La 95_555 . 54_555 142.8(3) ?
Li2 Li2 La 95_555 . 82_555 66.3(2) ?
Li2 Li2 Zr 95_555 . 2_655 69.0(2) ?
Li2 Li2 Zr 95_555 . 15_554 101.9(3) ?
Li2 Li2 Nb 95_555 . 2_655 69.0(2) ?
Li2 Li2 Nb 95_555 . 15_554 101.9(3) ?
Li2 Li2 O 95_555 . 94_545 62.1(2) ?
La Li2 La 2_655 . 54_555 78.26(16) ?
La Li2 La 2_655 . 82_555 145.4(2) ?
La Li2 Zr 2_655 . 2_655 75.21(15) ?
La Li2 Zr 2_655 . 15_554 146.1(2) ?
La Li2 Nb 2_655 . 2_655 75.21(15) ?
La Li2 Nb 2_655 . 15_554 146.1(2) ?
La Li2 O 2_655 . 94_545 148.6(3) ?
La Li2 La 54_555 . 82_555 133.3(2) ?
La Li2 Zr 54_555 . 2_655 141.4(2) ?
La Li2 Zr 54_555 . 15_554 69.40(13) ?
La Li2 Nb 54_555 . 2_655 141.4(2) ?
La Li2 Nb 54_555 . 15_554 69.40(13) ?
La Li2 O 54_555 . 94_545 103.0(3) ?
La Li2 Zr 82_555 . 2_655 70.41(15) ?
La Li2 Zr 82_555 . 15_554 68.50(13) ?
La Li2 Nb 82_555 . 2_655 70.41(15) ?
La Li2 Nb 82_555 . 15_554 68.50(13) ?
La Li2 O 82_555 . 94_545 51.39(16) ?
Zr Li2 Zr 2_655 . 15_554 137.9(2) ?
Zr Li2 Nb 2_655 . 2_655 0 ?
Zr Li2 Nb 2_655 . 15_554 137.9(2) ?
Zr Li2 O 2_655 . 94_545 114.2(3) ?
Zr Li2 Nb 15_554 . 2_655 137.9(2) ?
Zr Li2 Nb 15_554 . 15_554 0 ?
Zr Li2 O 15_554 . 94_545 39.91(13) ?
Nb Li2 Nb 2_655 . 15_554 137.9(2) ?
Nb Li2 O 2_655 . 94_545 114.2(3) ?
Nb Li2 O 15_554 . 94_545 39.91(13) ?
Li1 La Li1 2_655 . 21_545 180 ?
Li1 La Li2 2_655 . 2_655 30.34(12) ?
Li1 La Li2 2_655 . 52_455 30.34(12) ?
Li1 La Li2 2_655 . 11_555 138.05(12) ?
Li1 La Li2 2_655 . 60_554 138.05(12) ?
Li1 La Li2 2_655 . 65_455 41.95(12) ?
Li1 La Li2 2_655 . 66_554 41.95(12) ?
Li1 La Li2 2_655 . 21_545 149.66(12) ?
Li1 La Li2 2_655 . 23_544 149.66(12) ?
Li1 La Li2 2_655 . 78_545 84.31(10) ?
Li1 La Li2 2_655 . 31_545 84.31(10) ?
Li1 La Li2 2_655 . 37_554 95.69(10) ?
Li1 La Li2 2_655 . 40_555 95.69(10) ?
Li1 La La 2_655 . 5_555 65.9052(15) ?
Li1 La La 2_655 . 54_555 65.9052(15) ?
Li1 La La 2_655 . 9_555 114.0948(15) ?
Li1 La La 2_655 . 58_555 114.0948(15) ?
Li1 La Zr 2_655 . . 63.4350(18) ?
Li1 La Zr 2_655 . 51_555 63.4350(18) ?
Li1 La Zr 2_655 . 14_555 116.5650(18) ?
Li1 La Zr 2_655 . 15_554 116.5650(18) ?
Li1 La O 2_655 . . 36.808(11) ?
Li1 La O 2_655 . 51_555 36.808(11) ?
Li1 La O 2_655 . 22_554 143.192(11) ?
Li1 La O 2_655 . 24_555 143.192(11) ?
Li1 La Li2 21_545 . 2_655 149.66(12) ?
Li1 La Li2 21_545 . 52_455 149.66(12) ?
Li1 La Li2 21_545 . 11_555 41.95(12) ?
Li1 La Li2 21_545 . 60_554 41.95(12) ?
Li1 La Li2 21_545 . 65_455 138.05(12) ?
Li1 La Li2 21_545 . 66_554 138.05(12) ?
Li1 La Li2 21_545 . 21_545 30.34(12) ?
Li1 La Li2 21_545 . 23_544 30.34(12) ?
Li1 La Li2 21_545 . 78_545 95.69(10) ?
Li1 La Li2 21_545 . 31_545 95.69(10) ?
Li1 La Li2 21_545 . 37_554 84.31(10) ?
Li1 La Li2 21_545 . 40_555 84.31(10) ?
Li1 La La 21_545 . 5_555 114.0948(15) ?
Li1 La La 21_545 . 54_555 114.0948(15) ?
Li1 La La 21_545 . 9_555 65.9052(15) ?
Li1 La La 21_545 . 58_555 65.9052(15) ?
Li1 La Zr 21_545 . . 116.5650(18) ?
Li1 La Zr 21_545 . 51_555 116.5650(18) ?
Li1 La Zr 21_545 . 14_555 63.4350(18) ?
Li1 La Zr 21_545 . 15_554 63.4350(18) ?
Li1 La O 21_545 . . 143.192(11) ?
Li1 La O 21_545 . 51_555 143.192(11) ?
Li1 La O 21_545 . 22_554 36.808(11) ?
Li1 La O 21_545 . 24_555 36.808(11) ?
Li2 La Li2 2_655 . 52_455 60.68(17) ?
Li2 La Li2 2_655 . 11_555 158.55(17) ?
Li2 La Li2 2_655 . 60_554 110.67(17) ?
Li2 La Li2 2_655 . 65_455 12.03(16) ?
Li2 La Li2 2_655 . 66_554 72.20(17) ?
Li2 La Li2 2_655 . 21_545 121.00(18) ?
Li2 La Li2 2_655 . 23_544 167.06(18) ?
Li2 La Li2 2_655 . 78_545 54.60(16) ?
Li2 La Li2 2_655 . 31_545 114.09(16) ?
Li2 La Li2 2_655 . 37_554 124.83(16) ?
Li2 La Li2 2_655 . 40_555 66.42(16) ?
Li2 La La 2_655 . 5_555 83.53(12) ?
Li2 La La 2_655 . 54_555 53.70(13) ?
Li2 La La 2_655 . 9_555 107.92(13) ?
Li2 La La 2_655 . 58_555 113.39(13) ?
Li2 La Zr 2_655 . . 51.23(13) ?
Li2 La Zr 2_655 . 51_555 81.62(13) ?
Li2 La Zr 2_655 . 14_555 140.23(12) ?
Li2 La Zr 2_655 . 15_554 90.19(12) ?
Li2 La O 2_655 . . 43.87(12) ?
Li2 La O 2_655 . 51_555 48.62(13) ?
Li2 La O 2_655 . 22_554 122.22(12) ?
Li2 La O 2_655 . 24_555 148.09(13) ?
Li2 La Li2 52_455 . 11_555 110.67(17) ?
Li2 La Li2 52_455 . 60_554 158.55(17) ?
Li2 La Li2 52_455 . 65_455 72.20(17) ?
Li2 La Li2 52_455 . 66_554 12.03(16) ?
Li2 La Li2 52_455 . 21_545 167.06(18) ?
Li2 La Li2 52_455 . 23_544 121.00(18) ?
Li2 La Li2 52_455 . 78_545 114.09(16) ?
Li2 La Li2 52_455 . 31_545 54.60(16) ?
Li2 La Li2 52_455 . 37_554 66.42(16) ?
Li2 La Li2 52_455 . 40_555 124.83(16) ?
Li2 La La 52_455 . 5_555 53.70(13) ?
Li2 La La 52_455 . 54_555 83.53(12) ?
Li2 La La 52_455 . 9_555 113.39(13) ?
Li2 La La 52_455 . 58_555 107.92(13) ?
Li2 La Zr 52_455 . . 81.62(13) ?
Li2 La Zr 52_455 . 51_555 51.23(13) ?
Li2 La Zr 52_455 . 14_555 90.19(12) ?
Li2 La Zr 52_455 . 15_554 140.23(12) ?
Li2 La O 52_455 . . 48.62(13) ?
Li2 La O 52_455 . 51_555 43.87(12) ?
Li2 La O 52_455 . 22_554 148.09(13) ?
Li2 La O 52_455 . 24_555 122.22(12) ?
Li2 La Li2 11_555 . 60_554 83.90(16) ?
Li2 La Li2 11_555 . 65_455 155.77(16) ?
Li2 La Li2 11_555 . 66_554 101.21(16) ?
Li2 La Li2 11_555 . 21_545 72.20(17) ?
Li2 La Li2 11_555 . 23_544 12.03(16) ?
Li2 La Li2 11_555 . 78_545 134.20(16) ?
Li2 La Li2 11_555 . 31_545 56.65(16) ?
Li2 La Li2 11_555 . 37_554 44.56(16) ?
Li2 La Li2 11_555 . 40_555 124.41(16) ?
Li2 La La 11_555 . 5_555 107.59(11) ?
Li2 La La 11_555 . 54_555 107.76(11) ?
Li2 La La 11_555 . 9_555 93.52(11) ?
Li2 La La 11_555 . 58_555 48.04(11) ?
Li2 La Zr 11_555 . . 150.08(11) ?
Li2 La Zr 11_555 . 51_555 78.37(11) ?
Li2 La Zr 11_555 . 14_555 53.04(11) ?
Li2 La Zr 11_555 . 15_554 86.33(12) ?
Li2 La O 11_555 . . 146.69(11) ?
Li2 La O 11_555 . 51_555 110.81(11) ?
Li2 La O 11_555 . 22_554 53.59(12) ?
Li2 La O 11_555 . 24_555 53.32(11) ?
Li2 La Li2 60_554 . 65_455 101.21(16) ?
Li2 La Li2 60_554 . 66_554 155.77(16) ?
Li2 La Li2 60_554 . 21_545 12.03(16) ?
Li2 La Li2 60_554 . 23_544 72.20(17) ?
Li2 La Li2 60_554 . 78_545 56.65(16) ?
Li2 La Li2 60_554 . 31_545 134.20(16) ?
Li2 La Li2 60_554 . 37_554 124.41(16) ?
Li2 La Li2 60_554 . 40_555 44.56(16) ?
Li2 La La 60_554 . 5_555 107.76(11) ?
Li2 La La 60_554 . 54_555 107.59(11) ?
Li2 La La 60_554 . 9_555 48.04(11) ?
Li2 La La 60_554 . 58_555 93.52(11) ?
Li2 La Zr 60_554 . . 78.37(11) ?
Li2 La Zr 60_554 . 51_555 150.08(11) ?
Li2 La Zr 60_554 . 14_555 86.33(12) ?
Li2 La Zr 60_554 . 15_554 53.04(11) ?
Li2 La O 60_554 . . 110.81(11) ?
Li2 La O 60_554 . 51_555 146.69(11) ?
Li2 La O 60_554 . 22_554 53.32(11) ?
Li2 La O 60_554 . 24_555 53.59(12) ?
Li2 La Li2 65_455 . 66_554 83.90(16) ?
Li2 La Li2 65_455 . 21_545 110.67(17) ?
Li2 La Li2 65_455 . 23_544 158.55(17) ?
Li2 La Li2 65_455 . 78_545 44.56(16) ?
Li2 La Li2 65_455 . 31_545 124.41(16) ?
Li2 La Li2 65_455 . 37_554 134.20(16) ?
Li2 La Li2 65_455 . 40_555 56.65(16) ?
Li2 La La 65_455 . 5_555 93.52(11) ?
Li2 La La 65_455 . 54_555 48.04(11) ?
Li2 La La 65_455 . 9_555 107.59(11) ?
Li2 La La 65_455 . 58_555 107.76(11) ?
Li2 La Zr 65_455 . . 53.04(11) ?
Li2 La Zr 65_455 . 51_555 86.33(12) ?
Li2 La Zr 65_455 . 14_555 150.08(11) ?
Li2 La Zr 65_455 . 15_554 78.37(11) ?
Li2 La O 65_455 . . 53.32(11) ?
Li2 La O 65_455 . 51_555 53.59(12) ?
Li2 La O 65_455 . 22_554 110.81(11) ?
Li2 La O 65_455 . 24_555 146.69(11) ?
Li2 La Li2 66_554 . 21_545 158.55(17) ?
Li2 La Li2 66_554 . 23_544 110.67(17) ?
Li2 La Li2 66_554 . 78_545 124.41(16) ?
Li2 La Li2 66_554 . 31_545 44.56(16) ?
Li2 La Li2 66_554 . 37_554 56.65(16) ?
Li2 La Li2 66_554 . 40_555 134.20(16) ?
Li2 La La 66_554 . 5_555 48.04(11) ?
Li2 La La 66_554 . 54_555 93.52(11) ?
Li2 La La 66_554 . 9_555 107.76(11) ?
Li2 La La 66_554 . 58_555 107.59(11) ?
Li2 La Zr 66_554 . . 86.33(12) ?
Li2 La Zr 66_554 . 51_555 53.04(11) ?
Li2 La Zr 66_554 . 14_555 78.37(11) ?
Li2 La Zr 66_554 . 15_554 150.08(11) ?
Li2 La O 66_554 . . 53.59(12) ?
Li2 La O 66_554 . 51_555 53.32(11) ?
Li2 La O 66_554 . 22_554 146.69(11) ?
Li2 La O 66_554 . 24_555 110.81(11) ?
Li2 La Li2 21_545 . 23_544 60.68(17) ?
Li2 La Li2 21_545 . 78_545 66.42(16) ?
Li2 La Li2 21_545 . 31_545 124.83(16) ?
Li2 La Li2 21_545 . 37_554 114.09(16) ?
Li2 La Li2 21_545 . 40_555 54.60(16) ?
Li2 La La 21_545 . 5_555 113.39(13) ?
Li2 La La 21_545 . 54_555 107.92(13) ?
Li2 La La 21_545 . 9_555 53.70(13) ?
Li2 La La 21_545 . 58_555 83.53(12) ?
Li2 La Zr 21_545 . . 90.19(12) ?
Li2 La Zr 21_545 . 51_555 140.23(12) ?
Li2 La Zr 21_545 . 14_555 81.62(13) ?
Li2 La Zr 21_545 . 15_554 51.23(13) ?
Li2 La O 21_545 . . 122.22(12) ?
Li2 La O 21_545 . 51_555 148.09(13) ?
Li2 La O 21_545 . 22_554 43.87(12) ?
Li2 La O 21_545 . 24_555 48.62(13) ?
Li2 La Li2 23_544 . 78_545 124.83(16) ?
Li2 La Li2 23_544 . 31_545 66.42(16) ?
Li2 La Li2 23_544 . 37_554 54.60(16) ?
Li2 La Li2 23_544 . 40_555 114.09(16) ?
Li2 La La 23_544 . 5_555 107.92(13) ?
Li2 La La 23_544 . 54_555 113.39(13) ?
Li2 La La 23_544 . 9_555 83.53(12) ?
Li2 La La 23_544 . 58_555 53.70(13) ?
Li2 La Zr 23_544 . . 140.23(12) ?
Li2 La Zr 23_544 . 51_555 90.19(12) ?
Li2 La Zr 23_544 . 14_555 51.23(13) ?
Li2 La Zr 23_544 . 15_554 81.62(13) ?
Li2 La O 23_544 . . 148.09(13) ?
Li2 La O 23_544 . 51_555 122.22(12) ?
Li2 La O 23_544 . 22_554 48.62(13) ?
Li2 La O 23_544 . 24_555 43.87(12) ?
Li2 La Li2 78_545 . 31_545 168.62(15) ?
Li2 La Li2 78_545 . 37_554 175.82(16) ?
Li2 La Li2 78_545 . 40_555 12.13(15) ?
Li2 La La 78_545 . 5_555 106.15(11) ?
Li2 La La 78_545 . 54_555 68.96(11) ?
Li2 La La 78_545 . 9_555 77.58(11) ?
Li2 La La 78_545 . 58_555 107.22(11) ?
Li2 La Zr 78_545 . . 49.44(11) ?
Li2 La Zr 78_545 . 51_555 124.16(11) ?
Li2 La Zr 78_545 . 14_555 134.13(11) ?
Li2 La Zr 78_545 . 15_554 52.58(11) ?
Li2 La O 78_545 . . 75.62(11) ?
Li2 La O 78_545 . 51_555 95.14(11) ?
Li2 La O 78_545 . 22_554 82.47(11) ?
Li2 La O 78_545 . 24_555 106.84(11) ?
Li2 La Li2 31_545 . 37_554 12.13(15) ?
Li2 La Li2 31_545 . 40_555 175.82(16) ?
Li2 La La 31_545 . 5_555 68.96(11) ?
Li2 La La 31_545 . 54_555 106.15(11) ?
Li2 La La 31_545 . 9_555 107.22(11) ?
Li2 La La 31_545 . 58_555 77.58(11) ?
Li2 La Zr 31_545 . . 124.16(11) ?
Li2 La Zr 31_545 . 51_555 49.44(11) ?
Li2 La Zr 31_545 . 14_555 52.58(11) ?
Li2 La Zr 31_545 . 15_554 134.13(11) ?
Li2 La O 31_545 . . 95.14(11) ?
Li2 La O 31_545 . 51_555 75.62(11) ?
Li2 La O 31_545 . 22_554 106.84(11) ?
Li2 La O 31_545 . 24_555 82.47(11) ?
Li2 La Li2 37_554 . 40_555 168.62(15) ?
Li2 La La 37_554 . 5_555 77.58(11) ?
Li2 La La 37_554 . 54_555 107.22(11) ?
Li2 La La 37_554 . 9_555 106.15(11) ?
Li2 La La 37_554 . 58_555 68.96(11) ?
Li2 La Zr 37_554 . . 134.13(11) ?
Li2 La Zr 37_554 . 51_555 52.58(11) ?
Li2 La Zr 37_554 . 14_555 49.44(11) ?
Li2 La Zr 37_554 . 15_554 124.16(11) ?
Li2 La O 37_554 . . 106.84(11) ?
Li2 La O 37_554 . 51_555 82.47(11) ?
Li2 La O 37_554 . 22_554 95.14(11) ?
Li2 La O 37_554 . 24_555 75.62(11) ?
Li2 La La 40_555 . 5_555 107.22(11) ?
Li2 La La 40_555 . 54_555 77.58(11) ?
Li2 La La 40_555 . 9_555 68.96(11) ?
Li2 La La 40_555 . 58_555 106.15(11) ?
Li2 La Zr 40_555 . . 52.58(11) ?
Li2 La Zr 40_555 . 51_555 134.13(11) ?
Li2 La Zr 40_555 . 14_555 124.16(11) ?
Li2 La Zr 40_555 . 15_554 49.44(11) ?
Li2 La O 40_555 . . 82.47(11) ?
Li2 La O 40_555 . 51_555 106.84(11) ?
Li2 La O 40_555 . 22_554 75.62(11) ?
Li2 La O 40_555 . 24_555 95.14(11) ?
La La La 5_555 . 54_555 131.810(3) ?
La La La 5_555 . 9_555 60.000(2) ?
La La La 5_555 . 58_555 146.4427(4) ?
La La Zr 5_555 . . 56.7891(17) ?
La La Zr 5_555 . 51_555 100.520(2) ?
La La Zr 5_555 . 14_555 56.789(3) ?
La La Zr 5_555 . 15_554 155.9052(15) ?
La La O 5_555 . . 40.211(11) ?
La La O 5_555 . 51_555 96.312(11) ?
La La O 5_555 . 22_554 150.902(11) ?
La La O 5_555 . 24_555 77.287(12) ?
La La La 54_555 . 9_555 146.4427(4) ?
La La La 54_555 . 58_555 60.000(2) ?
La La Zr 54_555 . . 100.520(2) ?
La La Zr 54_555 . 51_555 56.7891(17) ?
La La Zr 54_555 . 14_555 155.9052(15) ?
La La Zr 54_555 . 15_554 56.789(3) ?
La La O 54_555 . . 96.312(11) ?
La La O 54_555 . 51_555 40.211(11) ?
La La O 54_555 . 22_554 77.287(12) ?
La La O 54_555 . 24_555 150.902(11) ?
La La La 9_555 . 58_555 131.810(3) ?
La La Zr 9_555 . . 56.789(3) ?
La La Zr 9_555 . 51_555 155.9052(15) ?
La La Zr 9_555 . 14_555 56.7891(17) ?
La La Zr 9_555 . 15_554 100.520(2) ?
La La O 9_555 . . 77.287(12) ?
La La O 9_555 . 51_555 150.902(11) ?
La La O 9_555 . 22_554 96.312(11) ?
La La O 9_555 . 24_555 40.211(11) ?
La La Zr 58_555 . . 155.9052(15) ?
La La Zr 58_555 . 51_555 56.789(3) ?
La La Zr 58_555 . 14_555 100.520(2) ?
La La Zr 58_555 . 15_554 56.7891(17) ?
La La O 58_555 . . 150.902(11) ?
La La O 58_555 . 51_555 77.287(12) ?
La La O 58_555 . 22_554 40.211(11) ?
La La O 58_555 . 24_555 96.312(11) ?
Zr La Zr . . 51_555 126.870(4) ?
Zr La Zr . . 14_555 101.5370(13) ?
Zr La Zr . . 15_554 101.5370(13) ?
Zr La O . . . 33.081(11) ?
Zr La O . . 51_555 96.995(12) ?
Zr La O . . 22_554 126.630(11) ?
Zr La O . . 24_555 96.862(11) ?
Zr La Zr 51_555 . 14_555 101.5370(13) ?
Zr La Zr 51_555 . 15_554 101.5370(13) ?
Zr La O 51_555 . . 96.995(12) ?
Zr La O 51_555 . 51_555 33.081(11) ?
Zr La O 51_555 . 22_554 96.862(11) ?
Zr La O 51_555 . 24_555 126.630(11) ?
Zr La Zr 14_555 . 15_554 126.870(4) ?
Zr La O 14_555 . . 96.862(11) ?
Zr La O 14_555 . 51_555 126.630(11) ?
Zr La O 14_555 . 22_554 96.995(12) ?
Zr La O 14_555 . 24_555 33.081(11) ?
Zr La O 15_554 . . 126.630(11) ?
Zr La O 15_554 . 51_555 96.862(11) ?
Zr La O 15_554 . 22_554 33.081(11) ?
Zr La O 15_554 . 24_555 96.995(12) ?
O La O . . 51_555 73.615(16) ?
O La O . . 22_554 158.010(16) ?
O La O . . 24_555 110.783(16) ?
O La O 51_555 . 22_554 110.783(16) ?
O La O 51_555 . 24_555 158.010(16) ?
O La O 22_554 . 24_555 73.615(16) ?
Li2 Zr Li2 2_655 . 6_565 119.90(17) ?
Li2 Zr Li2 2_655 . 58_556 119.90(17) ?
Li2 Zr Li2 2_655 . 16_545 109.17(18) ?
Li2 Zr Li2 2_655 . 65_455 13.06(17) ?
Li2 Zr Li2 2_655 . 22_554 130.90(18) ?
Li2 Zr Li2 2_655 . 74_455 180 ?
Li2 Zr Li2 2_655 . 78_545 60.10(17) ?
Li2 Zr Li2 2_655 . 34_554 60.10(17) ?
Li2 Zr Li2 2_655 . 40_555 70.83(18) ?
Li2 Zr Li2 2_655 . 89_555 166.94(17) ?
Li2 Zr Li2 2_655 . 46_555 49.10(18) ?
Li2 Zr La 2_655 . . 53.56(13) ?
Li2 Zr La 2_655 . 5_555 91.30(12) ?
Li2 Zr La 2_655 . 9_555 119.86(13) ?
Li2 Zr La 2_655 . 73_555 126.44(13) ?
Li2 Zr La 2_655 . 77_555 88.70(12) ?
Li2 Zr La 2_655 . 81_555 60.14(13) ?
Li2 Zr Nb 2_655 . . 0 ?
Li2 Zr O 2_655 . . 46.40(12) ?
Li2 Zr O 2_655 . 5_555 132.64(12) ?
Li2 Zr O 2_655 . 9_555 87.36(13) ?
Li2 Zr O 2_655 . 73_555 133.60(12) ?
Li2 Zr O 2_655 . 77_555 47.36(12) ?
Li2 Zr O 2_655 . 81_555 92.64(13) ?
Li2 Zr Li2 6_565 . 58_556 119.90(17) ?
Li2 Zr Li2 6_565 . 16_545 13.06(17) ?
Li2 Zr Li2 6_565 . 65_455 130.90(18) ?
Li2 Zr Li2 6_565 . 22_554 109.17(18) ?
Li2 Zr Li2 6_565 . 74_455 60.10(17) ?
Li2 Zr Li2 6_565 . 78_545 180 ?
Li2 Zr Li2 6_565 . 34_554 60.10(17) ?
Li2 Zr Li2 6_565 . 40_555 166.94(17) ?
Li2 Zr Li2 6_565 . 89_555 49.10(18) ?
Li2 Zr Li2 6_565 . 46_555 70.83(18) ?
Li2 Zr La 6_565 . . 119.86(13) ?
Li2 Zr La 6_565 . 5_555 53.56(13) ?
Li2 Zr La 6_565 . 9_555 91.30(12) ?
Li2 Zr La 6_565 . 73_555 60.14(13) ?
Li2 Zr La 6_565 . 77_555 126.44(13) ?
Li2 Zr La 6_565 . 81_555 88.70(12) ?
Li2 Zr Nb 6_565 . . 0 ?
Li2 Zr O 6_565 . . 87.36(13) ?
Li2 Zr O 6_565 . 5_555 46.40(12) ?
Li2 Zr O 6_565 . 9_555 132.64(12) ?
Li2 Zr O 6_565 . 73_555 92.64(13) ?
Li2 Zr O 6_565 . 77_555 133.60(12) ?
Li2 Zr O 6_565 . 81_555 47.36(12) ?
Li2 Zr Li2 58_556 . 16_545 130.90(18) ?
Li2 Zr Li2 58_556 . 65_455 109.17(18) ?
Li2 Zr Li2 58_556 . 22_554 13.06(17) ?
Li2 Zr Li2 58_556 . 74_455 60.10(17) ?
Li2 Zr Li2 58_556 . 78_545 60.10(17) ?
Li2 Zr Li2 58_556 . 34_554 180 ?
Li2 Zr Li2 58_556 . 40_555 49.10(18) ?
Li2 Zr Li2 58_556 . 89_555 70.83(18) ?
Li2 Zr Li2 58_556 . 46_555 166.94(17) ?
Li2 Zr La 58_556 . . 91.30(12) ?
Li2 Zr La 58_556 . 5_555 119.86(13) ?
Li2 Zr La 58_556 . 9_555 53.56(13) ?
Li2 Zr La 58_556 . 73_555 88.70(12) ?
Li2 Zr La 58_556 . 77_555 60.14(13) ?
Li2 Zr La 58_556 . 81_555 126.44(13) ?
Li2 Zr Nb 58_556 . . 0 ?
Li2 Zr O 58_556 . . 132.64(12) ?
Li2 Zr O 58_556 . 5_555 87.36(13) ?
Li2 Zr O 58_556 . 9_555 46.40(12) ?
Li2 Zr O 58_556 . 73_555 47.36(12) ?
Li2 Zr O 58_556 . 77_555 92.64(13) ?
Li2 Zr O 58_556 . 81_555 133.60(12) ?
Li2 Zr Li2 16_545 . 65_455 119.14(18) ?
Li2 Zr Li2 16_545 . 22_554 119.14(18) ?
Li2 Zr Li2 16_545 . 74_455 70.83(18) ?
Li2 Zr Li2 16_545 . 78_545 166.94(17) ?
Li2 Zr Li2 16_545 . 34_554 49.10(18) ?
Li2 Zr Li2 16_545 . 40_555 180 ?
Li2 Zr Li2 16_545 . 89_555 60.86(18) ?
Li2 Zr Li2 16_545 . 46_555 60.86(18) ?
Li2 Zr La 16_545 . . 121.08(13) ?
Li2 Zr La 16_545 . 5_555 57.57(12) ?
Li2 Zr La 16_545 . 9_555 103.74(12) ?
Li2 Zr La 16_545 . 73_555 58.92(13) ?
Li2 Zr La 16_545 . 77_555 122.43(12) ?
Li2 Zr La 16_545 . 81_555 76.26(12) ?
Li2 Zr Nb 16_545 . . 0 ?
Li2 Zr O 16_545 . . 83.25(13) ?
Li2 Zr O 16_545 . 5_555 58.71(12) ?
Li2 Zr O 16_545 . 9_555 143.99(12) ?
Li2 Zr O 16_545 . 73_555 96.75(13) ?
Li2 Zr O 16_545 . 77_555 121.29(12) ?
Li2 Zr O 16_545 . 81_555 36.01(12) ?
Li2 Zr Li2 65_455 . 22_554 119.14(18) ?
Li2 Zr Li2 65_455 . 74_455 166.94(17) ?
Li2 Zr Li2 65_455 . 78_545 49.10(18) ?
Li2 Zr Li2 65_455 . 34_554 70.83(18) ?
Li2 Zr Li2 65_455 . 40_555 60.86(18) ?
Li2 Zr Li2 65_455 . 89_555 180 ?
Li2 Zr Li2 65_455 . 46_555 60.86(18) ?
Li2 Zr La 65_455 . . 57.57(12) ?
Li2 Zr La 65_455 . 5_555 103.74(12) ?
Li2 Zr La 65_455 . 9_555 121.08(13) ?
Li2 Zr La 65_455 . 73_555 122.43(12) ?
Li2 Zr La 65_455 . 77_555 76.26(12) ?
Li2 Zr La 65_455 . 81_555 58.92(13) ?
Li2 Zr Nb 65_455 . . 0 ?
Li2 Zr O 65_455 . . 58.71(12) ?
Li2 Zr O 65_455 . 5_555 143.99(12) ?
Li2 Zr O 65_455 . 9_555 83.25(13) ?
Li2 Zr O 65_455 . 73_555 121.29(12) ?
Li2 Zr O 65_455 . 77_555 36.01(12) ?
Li2 Zr O 65_455 . 81_555 96.75(13) ?
Li2 Zr Li2 22_554 . 74_455 49.10(18) ?
Li2 Zr Li2 22_554 . 78_545 70.83(18) ?
Li2 Zr Li2 22_554 . 34_554 166.94(17) ?
Li2 Zr Li2 22_554 . 40_555 60.86(18) ?
Li2 Zr Li2 22_554 . 89_555 60.86(18) ?
Li2 Zr Li2 22_554 . 46_555 180 ?
Li2 Zr La 22_554 . . 103.74(12) ?
Li2 Zr La 22_554 . 5_555 121.08(13) ?
Li2 Zr La 22_554 . 9_555 57.57(12) ?
Li2 Zr La 22_554 . 73_555 76.26(12) ?
Li2 Zr La 22_554 . 77_555 58.92(13) ?
Li2 Zr La 22_554 . 81_555 122.43(12) ?
Li2 Zr Nb 22_554 . . 0 ?
Li2 Zr O 22_554 . . 143.99(12) ?
Li2 Zr O 22_554 . 5_555 83.25(13) ?
Li2 Zr O 22_554 . 9_555 58.71(12) ?
Li2 Zr O 22_554 . 73_555 36.01(12) ?
Li2 Zr O 22_554 . 77_555 96.75(13) ?
Li2 Zr O 22_554 . 81_555 121.29(12) ?
Li2 Zr Li2 74_455 . 78_545 119.90(17) ?
Li2 Zr Li2 74_455 . 34_554 119.90(17) ?
Li2 Zr Li2 74_455 . 40_555 109.17(18) ?
Li2 Zr Li2 74_455 . 89_555 13.06(17) ?
Li2 Zr Li2 74_455 . 46_555 130.90(18) ?
Li2 Zr La 74_455 . . 126.44(13) ?
Li2 Zr La 74_455 . 5_555 88.70(12) ?
Li2 Zr La 74_455 . 9_555 60.14(13) ?
Li2 Zr La 74_455 . 73_555 53.56(13) ?
Li2 Zr La 74_455 . 77_555 91.30(12) ?
Li2 Zr La 74_455 . 81_555 119.86(13) ?
Li2 Zr Nb 74_455 . . 0 ?
Li2 Zr O 74_455 . . 133.60(12) ?
Li2 Zr O 74_455 . 5_555 47.36(12) ?
Li2 Zr O 74_455 . 9_555 92.64(13) ?
Li2 Zr O 74_455 . 73_555 46.40(12) ?
Li2 Zr O 74_455 . 77_555 132.64(12) ?
Li2 Zr O 74_455 . 81_555 87.36(13) ?
Li2 Zr Li2 78_545 . 34_554 119.90(17) ?
Li2 Zr Li2 78_545 . 40_555 13.06(17) ?
Li2 Zr Li2 78_545 . 89_555 130.90(18) ?
Li2 Zr Li2 78_545 . 46_555 109.17(18) ?
Li2 Zr La 78_545 . . 60.14(13) ?
Li2 Zr La 78_545 . 5_555 126.44(13) ?
Li2 Zr La 78_545 . 9_555 88.70(12) ?
Li2 Zr La 78_545 . 73_555 119.86(13) ?
Li2 Zr La 78_545 . 77_555 53.56(13) ?
Li2 Zr La 78_545 . 81_555 91.30(12) ?
Li2 Zr Nb 78_545 . . 0 ?
Li2 Zr O 78_545 . . 92.64(13) ?
Li2 Zr O 78_545 . 5_555 133.60(12) ?
Li2 Zr O 78_545 . 9_555 47.36(12) ?
Li2 Zr O 78_545 . 73_555 87.36(13) ?
Li2 Zr O 78_545 . 77_555 46.40(12) ?
Li2 Zr O 78_545 . 81_555 132.64(12) ?
Li2 Zr Li2 34_554 . 40_555 130.90(18) ?
Li2 Zr Li2 34_554 . 89_555 109.17(18) ?
Li2 Zr Li2 34_554 . 46_555 13.06(17) ?
Li2 Zr La 34_554 . . 88.70(12) ?
Li2 Zr La 34_554 . 5_555 60.14(13) ?
Li2 Zr La 34_554 . 9_555 126.44(13) ?
Li2 Zr La 34_554 . 73_555 91.30(12) ?
Li2 Zr La 34_554 . 77_555 119.86(13) ?
Li2 Zr La 34_554 . 81_555 53.56(13) ?
Li2 Zr Nb 34_554 . . 0 ?
Li2 Zr O 34_554 . . 47.36(12) ?
Li2 Zr O 34_554 . 5_555 92.64(13) ?
Li2 Zr O 34_554 . 9_555 133.60(12) ?
Li2 Zr O 34_554 . 73_555 132.64(12) ?
Li2 Zr O 34_554 . 77_555 87.36(13) ?
Li2 Zr O 34_554 . 81_555 46.40(12) ?
Li2 Zr Li2 40_555 . 89_555 119.14(18) ?
Li2 Zr Li2 40_555 . 46_555 119.14(18) ?
Li2 Zr La 40_555 . . 58.92(13) ?
Li2 Zr La 40_555 . 5_555 122.43(12) ?
Li2 Zr La 40_555 . 9_555 76.26(12) ?
Li2 Zr La 40_555 . 73_555 121.08(13) ?
Li2 Zr La 40_555 . 77_555 57.57(12) ?
Li2 Zr La 40_555 . 81_555 103.74(12) ?
Li2 Zr Nb 40_555 . . 0 ?
Li2 Zr O 40_555 . . 96.75(13) ?
Li2 Zr O 40_555 . 5_555 121.29(12) ?
Li2 Zr O 40_555 . 9_555 36.01(12) ?
Li2 Zr O 40_555 . 73_555 83.25(13) ?
Li2 Zr O 40_555 . 77_555 58.71(12) ?
Li2 Zr O 40_555 . 81_555 143.99(12) ?
Li2 Zr Li2 89_555 . 46_555 119.14(18) ?
Li2 Zr La 89_555 . . 122.43(12) ?
Li2 Zr La 89_555 . 5_555 76.26(12) ?
Li2 Zr La 89_555 . 9_555 58.92(13) ?
Li2 Zr La 89_555 . 73_555 57.57(12) ?
Li2 Zr La 89_555 . 77_555 103.74(12) ?
Li2 Zr La 89_555 . 81_555 121.08(13) ?
Li2 Zr Nb 89_555 . . 0 ?
Li2 Zr O 89_555 . . 121.29(12) ?
Li2 Zr O 89_555 . 5_555 36.01(12) ?
Li2 Zr O 89_555 . 9_555 96.75(13) ?
Li2 Zr O 89_555 . 73_555 58.71(12) ?
Li2 Zr O 89_555 . 77_555 143.99(12) ?
Li2 Zr O 89_555 . 81_555 83.25(13) ?
Li2 Zr La 46_555 . . 76.26(12) ?
Li2 Zr La 46_555 . 5_555 58.92(13) ?
Li2 Zr La 46_555 . 9_555 122.43(12) ?
Li2 Zr La 46_555 . 73_555 103.74(12) ?
Li2 Zr La 46_555 . 77_555 121.08(13) ?
Li2 Zr La 46_555 . 81_555 57.57(12) ?
Li2 Zr Nb 46_555 . . 0 ?
Li2 Zr O 46_555 . . 36.01(12) ?
Li2 Zr O 46_555 . 5_555 96.75(13) ?
Li2 Zr O 46_555 . 9_555 121.29(12) ?
Li2 Zr O 46_555 . 73_555 143.99(12) ?
Li2 Zr O 46_555 . 77_555 83.25(13) ?
Li2 Zr O 46_555 . 81_555 58.71(12) ?
La Zr La . . 5_555 66.4218(18) ?
La Zr La . . 9_555 66.4218(18) ?
La Zr La . . 73_555 180 ?
La Zr La . . 77_555 113.5782(18) ?
La Zr La . . 81_555 113.5782(18) ?
La Zr Nb . . . 0 ?
La Zr O . . . 42.076(13) ?
La Zr O . . 5_555 91.395(13) ?
La Zr O . . 9_555 45.029(13) ?
La Zr O . . 73_555 137.924(13) ?
La Zr O . . 77_555 88.605(13) ?
La Zr O . . 81_555 134.971(13) ?
La Zr La 5_555 . 9_555 66.4218(18) ?
La Zr La 5_555 . 73_555 113.5782(18) ?
La Zr La 5_555 . 77_555 180 ?
La Zr La 5_555 . 81_555 113.5782(18) ?
La Zr Nb 5_555 . . 0 ?
La Zr O 5_555 . . 45.029(13) ?
La Zr O 5_555 . 5_555 42.076(13) ?
La Zr O 5_555 . 9_555 91.395(13) ?
La Zr O 5_555 . 73_555 134.971(13) ?
La Zr O 5_555 . 77_555 137.924(13) ?
La Zr O 5_555 . 81_555 88.605(13) ?
La Zr La 9_555 . 73_555 113.5782(18) ?
La Zr La 9_555 . 77_555 113.5782(18) ?
La Zr La 9_555 . 81_555 180 ?
La Zr Nb 9_555 . . 0 ?
La Zr O 9_555 . . 91.395(13) ?
La Zr O 9_555 . 5_555 45.029(13) ?
La Zr O 9_555 . 9_555 42.076(13) ?
La Zr O 9_555 . 73_555 88.605(13) ?
La Zr O 9_555 . 77_555 134.971(13) ?
La Zr O 9_555 . 81_555 137.924(13) ?
La Zr La 73_555 . 77_555 66.4218(18) ?
La Zr La 73_555 . 81_555 66.4218(18) ?
La Zr Nb 73_555 . . 0 ?
La Zr O 73_555 . . 137.924(13) ?
La Zr O 73_555 . 5_555 88.605(13) ?
La Zr O 73_555 . 9_555 134.971(13) ?
La Zr O 73_555 . 73_555 42.076(13) ?
La Zr O 73_555 . 77_555 91.395(13) ?
La Zr O 73_555 . 81_555 45.029(13) ?
La Zr La 77_555 . 81_555 66.4218(18) ?
La Zr Nb 77_555 . . 0 ?
La Zr O 77_555 . . 134.971(13) ?
La Zr O 77_555 . 5_555 137.924(13) ?
La Zr O 77_555 . 9_555 88.605(13) ?
La Zr O 77_555 . 73_555 45.029(13) ?
La Zr O 77_555 . 77_555 42.076(13) ?
La Zr O 77_555 . 81_555 91.395(13) ?
La Zr Nb 81_555 . . 0 ?
La Zr O 81_555 . . 88.605(13) ?
La Zr O 81_555 . 5_555 134.971(13) ?
La Zr O 81_555 . 9_555 137.924(13) ?
La Zr O 81_555 . 73_555 91.395(13) ?
La Zr O 81_555 . 77_555 45.029(13) ?
La Zr O 81_555 . 81_555 42.076(13) ?
Nb Zr O . . . 0 ?
Nb Zr O . . 5_555 0 ?
Nb Zr O . . 9_555 0 ?
Nb Zr O . . 73_555 0 ?
Nb Zr O . . 77_555 0 ?
Nb Zr O . . 81_555 0 ?
O Zr O . . 5_555 86.343(19) ?
O Zr O . . 9_555 86.343(19) ?
O Zr O . . 73_555 180 ?
O Zr O . . 77_555 93.657(19) ?
O Zr O . . 81_555 93.657(19) ?
O Zr O 5_555 . 9_555 86.343(19) ?
O Zr O 5_555 . 73_555 93.657(19) ?
O Zr O 5_555 . 77_555 180 ?
O Zr O 5_555 . 81_555 93.657(19) ?
O Zr O 9_555 . 73_555 93.657(19) ?
O Zr O 9_555 . 77_555 93.657(19) ?
O Zr O 9_555 . 81_555 180 ?
O Zr O 73_555 . 77_555 86.343(19) ?
O Zr O 73_555 . 81_555 86.343(19) ?
O Zr O 77_555 . 81_555 86.343(19) ?
Li2 Nb Li2 2_655 . 6_565 119.90(17) ?
Li2 Nb Li2 2_655 . 58_556 119.90(17) ?
Li2 Nb Li2 2_655 . 16_545 109.17(18) ?
Li2 Nb Li2 2_655 . 65_455 13.06(17) ?
Li2 Nb Li2 2_655 . 22_554 130.90(18) ?
Li2 Nb Li2 2_655 . 74_455 180 ?
Li2 Nb Li2 2_655 . 78_545 60.10(17) ?
Li2 Nb Li2 2_655 . 34_554 60.10(17) ?
Li2 Nb Li2 2_655 . 40_555 70.83(18) ?
Li2 Nb Li2 2_655 . 89_555 166.94(17) ?
Li2 Nb Li2 2_655 . 46_555 49.10(18) ?
Li2 Nb Zr 2_655 . . 0 ?
Li2 Nb Li2 6_565 . 58_556 119.90(17) ?
Li2 Nb Li2 6_565 . 16_545 13.06(17) ?
Li2 Nb Li2 6_565 . 65_455 130.90(18) ?
Li2 Nb Li2 6_565 . 22_554 109.17(18) ?
Li2 Nb Li2 6_565 . 74_455 60.10(17) ?
Li2 Nb Li2 6_565 . 78_545 180 ?
Li2 Nb Li2 6_565 . 34_554 60.10(17) ?
Li2 Nb Li2 6_565 . 40_555 166.94(17) ?
Li2 Nb Li2 6_565 . 89_555 49.10(18) ?
Li2 Nb Li2 6_565 . 46_555 70.83(18) ?
Li2 Nb Zr 6_565 . . 0 ?
Li2 Nb Li2 58_556 . 16_545 130.90(18) ?
Li2 Nb Li2 58_556 . 65_455 109.17(18) ?
Li2 Nb Li2 58_556 . 22_554 13.06(17) ?
Li2 Nb Li2 58_556 . 74_455 60.10(17) ?
Li2 Nb Li2 58_556 . 78_545 60.10(17) ?
Li2 Nb Li2 58_556 . 34_554 180 ?
Li2 Nb Li2 58_556 . 40_555 49.10(18) ?
Li2 Nb Li2 58_556 . 89_555 70.83(18) ?
Li2 Nb Li2 58_556 . 46_555 166.94(17) ?
Li2 Nb Zr 58_556 . . 0 ?
Li2 Nb Li2 16_545 . 65_455 119.14(18) ?
Li2 Nb Li2 16_545 . 22_554 119.14(18) ?
Li2 Nb Li2 16_545 . 74_455 70.83(18) ?
Li2 Nb Li2 16_545 . 78_545 166.94(17) ?
Li2 Nb Li2 16_545 . 34_554 49.10(18) ?
Li2 Nb Li2 16_545 . 40_555 180 ?
Li2 Nb Li2 16_545 . 89_555 60.86(18) ?
Li2 Nb Li2 16_545 . 46_555 60.86(18) ?
Li2 Nb Zr 16_545 . . 0 ?
Li2 Nb Li2 65_455 . 22_554 119.14(18) ?
Li2 Nb Li2 65_455 . 74_455 166.94(17) ?
Li2 Nb Li2 65_455 . 78_545 49.10(18) ?
Li2 Nb Li2 65_455 . 34_554 70.83(18) ?
Li2 Nb Li2 65_455 . 40_555 60.86(18) ?
Li2 Nb Li2 65_455 . 89_555 180 ?
Li2 Nb Li2 65_455 . 46_555 60.86(18) ?
Li2 Nb Zr 65_455 . . 0 ?
Li2 Nb Li2 22_554 . 74_455 49.10(18) ?
Li2 Nb Li2 22_554 . 78_545 70.83(18) ?
Li2 Nb Li2 22_554 . 34_554 166.94(17) ?
Li2 Nb Li2 22_554 . 40_555 60.86(18) ?
Li2 Nb Li2 22_554 . 89_555 60.86(18) ?
Li2 Nb Li2 22_554 . 46_555 180 ?
Li2 Nb Zr 22_554 . . 0 ?
Li2 Nb Li2 74_455 . 78_545 119.90(17) ?
Li2 Nb Li2 74_455 . 34_554 119.90(17) ?
Li2 Nb Li2 74_455 . 40_555 109.17(18) ?
Li2 Nb Li2 74_455 . 89_555 13.06(17) ?
Li2 Nb Li2 74_455 . 46_555 130.90(18) ?
Li2 Nb Zr 74_455 . . 0 ?
Li2 Nb Li2 78_545 . 34_554 119.90(17) ?
Li2 Nb Li2 78_545 . 40_555 13.06(17) ?
Li2 Nb Li2 78_545 . 89_555 130.90(18) ?
Li2 Nb Li2 78_545 . 46_555 109.17(18) ?
Li2 Nb Zr 78_545 . . 0 ?
Li2 Nb Li2 34_554 . 40_555 130.90(18) ?
Li2 Nb Li2 34_554 . 89_555 109.17(18) ?
Li2 Nb Li2 34_554 . 46_555 13.06(17) ?
Li2 Nb Zr 34_554 . . 0 ?
Li2 Nb Li2 40_555 . 89_555 119.14(18) ?
Li2 Nb Li2 40_555 . 46_555 119.14(18) ?
Li2 Nb Zr 40_555 . . 0 ?
Li2 Nb Li2 89_555 . 46_555 119.14(18) ?
Li2 Nb Zr 89_555 . . 0 ?
Li2 Nb Zr 46_555 . . 0 ?
Li1 O Li2 2_655 . 46_555 51.21(19) ?
Li1 O La 2_655 . . 92.445(19) ?
Li1 O Zr 2_655 . . 130.51(2) ?
Li2 O La 46_555 . . 143.26(19) ?
Li2 O Zr 46_555 . . 104.08(19) ?
La O Zr . . . 104.843(19) ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
? ? ? ? ? ? ? ? ? ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 11. STRUCTURE-FACTOR LIST



# For import please use the tool:

# start Validation Reply Form

_vrf_PLAT029_I                   
;
PROBLEM: _diffrn_measured_fraction_theta_full Low ....... 0.814
RESPONSE: This is an acceptable velue for Laue neutron data
;

_vrf_PLAT183_I                   
;
PROBLEM: Missing _cell_measurement_reflns_used Value
RESPONSE: Determined externally
;

_vrf_PLAT184_I                   
;
PROBLEM: Missing _cell_measurement_theta_min Value
RESPONSE: Determined externally
;

_vrf_PLAT185_I                   
;
PROBLEM: Missing _cell_measurement_theta_max Value
RESPONSE: Determined externally
;

_vrf_PLAT021_I                   
;
PROBLEM: Ratio Unique / Expected Reflections too High ...      1.492       
RESPONSE: HKLF 5 Refinement
;

_vrf_PLAT940_I                   
;
PROBLEM: Fsqd Refinement With I > n * Sigma(I) Only
RESPONSE: Only I>3*sigma(I) were used to improve convergence stability.
;

_vrf_PLAT041_I                   
;
PROBLEM: Calc. and Reported SumFormula    Strings  Differ
RESPONSE: Different Z used
;

_vrf_PLAT043_I                   
;
PROBLEM: Calculated and Reported Mol. Weight Differ
RESPONSE: Different Z used
;

_exptl_crystal_recrystallization_method 'Floating Zone'
_chemical_properties_physical    Moisture-sensitive
_exptl_crystal_preparation       'Ionic conductor'
