# Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics.
# This journal is © the Owner Societies 2016

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1435956'
_audit_update_record             
;
2015-11-09 deposited with the CCDC.
2016-01-20 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Al Li3 O5 Si'
_chemical_formula_weight         155.89

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Pna2(1)

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z+1/2'

_cell_length_a                   5.331(3)
_cell_length_b                   15.551(9)
_cell_length_c                   4.782(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     396.4(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    590
_cell_measurement_theta_min      2.62
_cell_measurement_theta_max      27.43

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.203
_exptl_crystal_size_mid          0.119
_exptl_crystal_size_min          0.117
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    2.612
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             304
_exptl_absorpt_coefficient_mu    0.715
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            2255
_diffrn_reflns_av_R_equivalents  0.0299
_diffrn_reflns_av_sigmaI/netI    0.0323
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_theta_min         2.62
_diffrn_reflns_theta_max         27.52
_reflns_number_total             881
_reflns_number_gt                731
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0336P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   none
_refine_ls_hydrogen_treatment    none
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.014(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.12(19)
_refine_ls_number_reflns         881
_refine_ls_number_parameters     77
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0378
_refine_ls_R_factor_gt           0.0287
_refine_ls_wR_factor_ref         0.0725
_refine_ls_wR_factor_gt          0.0667
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.030
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.002

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Al1 Al 0.32838(11) 0.79983(4) 0.3979(3) 0.0067(2) Uani 1 1 d . . .
Li1 Li -0.3280(7) 0.8031(3) 0.897(3) 0.0130(8) Uiso 1 1 d . . .
Li2 Li 0.6650(6) 0.9960(2) 0.894(3) 0.0087(8) Uiso 1 1 d . . .
Li3 Li 0.1702(7) 1.0956(3) 0.896(2) 0.0139(9) Uiso 1 1 d . . .
Si1 Si 0.16679(12) 0.90153(4) 0.8945(2) 0.00610(19) Uani 1 1 d . . .
O1 O 0.3120(3) 0.98639(12) 0.7990(3) 0.0091(4) Uani 1 1 d . . .
O2 O -0.1217(4) 0.89785(10) 0.8034(4) 0.0100(4) Uani 1 1 d . . .
O3 O 0.3109(3) 0.81460(12) 0.7656(3) 0.0096(4) Uani 1 1 d . . .
O4 O 0.1924(4) 0.89044(11) 1.2384(4) 0.0090(5) Uani 1 1 d . . .
O5 O 0.1454(3) 0.71015(11) 0.3097(3) 0.0092(5) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Al1 O5 1.749(2) 3_565 ?
Al1 O5 1.7533(19) . ?
Al1 O4 1.759(2) 1_554 ?
Al1 O3 1.776(3) . ?
Al1 Li1 2.992(11) 3_565 ?
Al1 Li1 2.999(11) 3_564 ?
Al1 Li1 3.009(11) 1_655 ?
Al1 Li1 3.016(11) 1_654 ?
Al1 Li3 3.116(4) 2_574 ?
Al1 Li3 3.128(4) 2_674 ?
Al1 Li3 3.175(4) 4_544 ?
Al1 Li2 3.176(4) 2_674 ?
Li1 O2 1.892(5) . ?
Li1 O5 1.990(14) 3_466 ?
Li1 O3 2.033(6) 1_455 ?
Li1 O3 2.072(6) 3_465 ?
Li1 Li3 2.979(12) 2_575 ?
Li1 Li3 2.989(12) 2_574 ?
Li1 Al1 2.992(11) 3_465 ?
Li1 Al1 2.999(11) 3_466 ?
Li1 Li2 3.000(6) 1_455 ?
Li1 Al1 3.009(11) 1_455 ?
Li1 Al1 3.016(11) 1_456 ?
Li1 Si1 3.098(4) 1_455 ?
Li2 O1 1.942(5) . ?
Li2 O2 1.952(5) 1_655 ?
Li2 O1 1.959(14) 2_675 ?
Li2 O4 2.062(7) 2_674 ?
Li2 Li3 2.913(12) 2_674 ?
Li2 Li3 2.924(12) 2_675 ?
Li2 Li2 2.971(4) 2_674 ?
Li2 Li2 2.971(4) 2_675 ?
Li2 Li1 3.000(6) 1_655 ?
Li2 Si1 3.009(11) 2_674 ?
Li2 Si1 3.011(11) 2_675 ?
Li2 Si1 3.052(4) 1_655 ?
Li3 O1 1.916(5) . ?
Li3 O2 1.969(11) 2_575 ?
Li3 O5 2.075(5) 4 ?
Li3 O4 2.086(6) 2_574 ?
Li3 Li2 2.913(12) 2_675 ?
Li3 Li2 2.924(12) 2_674 ?
Li3 Li1 2.979(12) 2_574 ?
Li3 Si1 2.986(9) 2_575 ?
Li3 Li1 2.989(12) 2_575 ?
Li3 Si1 2.996(8) 2_574 ?
Li3 Li2 3.107(6) 1_455 ?
Li3 Al1 3.116(4) 2_575 ?
Si1 O1 1.597(2) . ?
Si1 O2 1.599(2) . ?
Si1 O4 1.659(2) . ?
Si1 O3 1.672(2) . ?
Si1 Li3 2.986(9) 2_574 ?
Si1 Li3 2.996(8) 2_575 ?
Si1 Li2 3.009(11) 2_675 ?
Si1 Li2 3.011(11) 2_674 ?
Si1 Li2 3.052(4) 1_455 ?
Si1 Li1 3.098(4) 1_655 ?
Si1 Li1 3.182(5) 3_565 ?
O1 Li2 1.959(14) 2_674 ?
O2 Li2 1.952(5) 1_455 ?
O2 Li3 1.969(11) 2_574 ?
O3 Li1 2.033(6) 1_655 ?
O3 Li1 2.072(6) 3_565 ?
O4 Al1 1.759(2) 1_556 ?
O4 Li2 2.062(7) 2_675 ?
O4 Li3 2.086(6) 2_575 ?
O5 Al1 1.749(2) 3_465 ?
O5 Li1 1.990(14) 3_564 ?
O5 Li3 2.075(5) 4_544 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O5 Al1 O5 114.14(8) 3_565 . ?
O5 Al1 O4 111.39(10) 3_565 1_554 ?
O5 Al1 O4 107.69(11) . 1_554 ?
O5 Al1 O3 107.52(10) 3_565 . ?
O5 Al1 O3 108.18(10) . . ?
O4 Al1 O3 107.72(10) 1_554 . ?
O5 Al1 Li1 114.46(10) 3_565 3_565 ?
O5 Al1 Li1 67.13(18) . 3_565 ?
O4 Al1 Li1 131.29(11) 1_554 3_565 ?
O3 Al1 Li1 42.67(18) . 3_565 ?
O5 Al1 Li1 91.64(12) 3_565 3_564 ?
O5 Al1 Li1 39.54(19) . 3_564 ?
O4 Al1 Li1 88.08(13) 1_554 3_564 ?
O3 Al1 Li1 147.7(2) . 3_564 ?
Li1 Al1 Li1 105.92(13) 3_565 3_564 ?
O5 Al1 Li1 66.69(19) 3_565 1_655 ?
O5 Al1 Li1 122.88(13) . 1_655 ?
O4 Al1 Li1 125.55(11) 1_554 1_655 ?
O3 Al1 Li1 40.92(17) . 1_655 ?
Li1 Al1 Li1 63.0(3) 3_565 1_655 ?
Li1 Al1 Li1 144.26(8) 3_564 1_655 ?
O5 Al1 Li1 39.01(18) 3_565 1_654 ?
O5 Al1 Li1 99.21(13) . 1_654 ?
O4 Al1 Li1 83.81(12) 1_554 1_654 ?
O3 Al1 Li1 144.70(17) . 1_654 ?
Li1 Al1 Li1 144.26(8) 3_565 1_654 ?
Li1 Al1 Li1 62.8(3) 3_564 1_654 ?
Li1 Al1 Li1 105.06(12) 1_655 1_654 ?
O5 Al1 Li3 150.45(13) 3_565 2_574 ?
O5 Al1 Li3 86.55(12) . 2_574 ?
O4 Al1 Li3 39.55(17) 1_554 2_574 ?
O3 Al1 Li3 83.7(2) . 2_574 ?
Li1 Al1 Li3 92.54(18) 3_565 2_574 ?
Li1 Al1 Li3 92.22(18) 3_564 2_574 ?
Li1 Al1 Li3 120.9(3) 1_655 2_574 ?
Li1 Al1 Li3 120.4(3) 1_654 2_574 ?
O5 Al1 Li3 38.70(11) 3_565 2_674 ?
O5 Al1 Li3 152.59(13) . 2_674 ?
O4 Al1 Li3 86.23(13) 1_554 2_674 ?
O3 Al1 Li3 88.9(2) . 2_674 ?
Li1 Al1 Li3 121.2(3) 3_565 2_674 ?
Li1 Al1 Li3 120.8(3) 3_564 2_674 ?
Li1 Al1 Li3 58.25(19) 1_655 2_674 ?
Li1 Al1 Li3 58.0(2) 1_654 2_674 ?
Li3 Al1 Li3 117.24(14) 2_574 2_674 ?
O5 Al1 Li3 84.73(10) 3_565 4_544 ?
O5 Al1 Li3 37.35(11) . 4_544 ?
O4 Al1 Li3 143.20(17) 1_554 4_544 ?
O3 Al1 Li3 97.6(2) . 4_544 ?
Li1 Al1 Li3 57.89(19) 3_565 4_544 ?
Li1 Al1 Li3 57.6(2) 3_564 4_544 ?
Li1 Al1 Li3 91.03(18) 1_655 4_544 ?
Li1 Al1 Li3 90.73(17) 1_654 4_544 ?
Li3 Al1 Li3 121.59(14) 2_574 4_544 ?
Li3 Al1 Li3 121.17(13) 2_674 4_544 ?
O5 Al1 Li2 94.40(10) 3_565 2_674 ?
O5 Al1 Li2 143.15(16) . 2_674 ?
O4 Al1 Li2 37.0(2) 1_554 2_674 ?
O3 Al1 Li2 82.9(3) . 2_674 ?
Li1 Al1 Li2 122.8(3) 3_565 2_674 ?
Li1 Al1 Li2 122.2(3) 3_564 2_674 ?
Li1 Al1 Li2 88.9(2) 1_655 2_674 ?
Li1 Al1 Li2 88.4(2) 1_654 2_674 ?
Li3 Al1 Li2 59.18(10) 2_574 2_674 ?
Li3 Al1 Li2 58.05(9) 2_674 2_674 ?
Li3 Al1 Li2 179.1(2) 4_544 2_674 ?
O2 Li1 O5 110.9(5) . 3_466 ?
O2 Li1 O3 114.1(4) . 1_455 ?
O5 Li1 O3 104.4(4) 3_466 1_455 ?
O2 Li1 O3 114.1(4) . 3_465 ?
O5 Li1 O3 103.6(4) 3_466 3_465 ?
O3 Li1 O3 108.8(4) 1_455 3_465 ?
O2 Li1 Li3 67.3(3) . 2_575 ?
O5 Li1 Li3 44.0(2) 3_466 2_575 ?
O3 Li1 Li3 117.9(4) 1_455 2_575 ?
O3 Li1 Li3 127.5(4) 3_465 2_575 ?
O2 Li1 Li3 40.2(3) . 2_574 ?
O5 Li1 Li3 150.5(3) 3_466 2_574 ?
O3 Li1 Li3 88.4(4) 1_455 2_574 ?
O3 Li1 Li3 97.0(4) 3_465 2_574 ?
Li3 Li1 Li3 106.50(19) 2_575 2_574 ?
O2 Li1 Al1 93.8(4) . 3_465 ?
O5 Li1 Al1 139.1(2) 3_466 3_465 ?
O3 Li1 Al1 93.7(4) 1_455 3_465 ?
O3 Li1 Al1 35.5(2) 3_465 3_465 ?
Li3 Li1 Al1 147.43(17) 2_575 3_465 ?
Li3 Li1 Al1 64.1(3) 2_574 3_465 ?
O2 Li1 Al1 116.3(4) . 3_466 ?
O5 Li1 Al1 34.12(15) 3_466 3_466 ?
O3 Li1 Al1 123.8(4) 1_455 3_466 ?
O3 Li1 Al1 70.8(3) 3_465 3_466 ?
Li3 Li1 Al1 64.2(3) 2_575 3_466 ?
Li3 Li1 Al1 147.52(18) 2_574 3_466 ?
Al1 Li1 Al1 105.92(13) 3_465 3_466 ?
O2 Li1 Li2 39.43(16) . 1_455 ?
O5 Li1 Li2 96.1(4) 3_466 1_455 ?
O3 Li1 Li2 84.19(18) 1_455 1_455 ?
O3 Li1 Li2 152.4(4) 3_465 1_455 ?
Li3 Li1 Li2 58.6(3) 2_575 1_455 ?
Li3 Li1 Li2 58.2(3) 2_574 1_455 ?
Al1 Li1 Li2 122.3(4) 3_465 1_455 ?
Al1 Li1 Li2 122.7(4) 3_466 1_455 ?
O2 Li1 Al1 100.3(5) . 1_455 ?
O5 Li1 Al1 137.9(2) 3_466 1_455 ?
O3 Li1 Al1 34.9(2) 1_455 1_455 ?
O3 Li1 Al1 87.8(4) 3_465 1_455 ?
Li3 Li1 Al1 144.65(18) 2_575 1_455 ?
Li3 Li1 Al1 62.9(2) 2_574 1_455 ?
Al1 Li1 Al1 61.8(3) 3_465 1_455 ?
Al1 Li1 Al1 142.53(15) 3_466 1_455 ?
Li2 Li1 Al1 90.3(3) 1_455 1_455 ?
O2 Li1 Al1 123.6(4) . 1_456 ?
O5 Li1 Al1 33.59(16) 3_466 1_456 ?
O3 Li1 Al1 70.8(3) 1_455 1_456 ?
O3 Li1 Al1 116.3(3) 3_465 1_456 ?
Li3 Li1 Al1 62.9(3) 2_575 1_456 ?
Li3 Li1 Al1 144.76(18) 2_574 1_456 ?
Al1 Li1 Al1 142.53(15) 3_465 1_456 ?
Al1 Li1 Al1 61.7(3) 3_466 1_456 ?
Li2 Li1 Al1 90.7(3) 1_455 1_456 ?
Al1 Li1 Al1 105.06(12) 1_455 1_456 ?
O2 Li1 Si1 96.86(18) . 1_455 ?
O5 Li1 Si1 89.6(3) 3_466 1_455 ?
O3 Li1 Si1 29.77(11) 1_455 1_455 ?
O3 Li1 Si1 138.2(3) 3_465 1_455 ?
Li3 Li1 Si1 89.3(3) 2_575 1_455 ?
Li3 Li1 Si1 88.9(2) 2_574 1_455 ?
Al1 Li1 Si1 120.2(4) 3_465 1_455 ?
Al1 Li1 Si1 120.6(4) 3_466 1_455 ?
Li2 Li1 Si1 59.67(10) 1_455 1_455 ?
Al1 Li1 Si1 58.40(13) 1_455 1_455 ?
Al1 Li1 Si1 58.89(14) 1_456 1_455 ?
O1 Li2 O2 116.9(3) . 1_655 ?
O1 Li2 O1 107.6(5) . 2_675 ?
O2 Li2 O1 107.0(4) 1_655 2_675 ?
O1 Li2 O4 109.8(4) . 2_674 ?
O2 Li2 O4 112.0(4) 1_655 2_674 ?
O1 Li2 O4 102.4(4) 2_675 2_674 ?
O1 Li2 Li3 93.6(4) . 2_674 ?
O2 Li2 Li3 42.3(3) 1_655 2_674 ?
O1 Li2 Li3 149.1(2) 2_675 2_674 ?
O4 Li2 Li3 90.7(4) 2_674 2_674 ?
O1 Li2 Li3 116.5(4) . 2_675 ?
O2 Li2 Li3 68.1(3) 1_655 2_675 ?
O1 Li2 Li3 40.5(2) 2_675 2_675 ?
O4 Li2 Li3 127.1(4) 2_674 2_675 ?
Li3 Li2 Li3 110.01(16) 2_674 2_675 ?
O1 Li2 Li2 40.6(4) . 2_674 ?
O2 Li2 Li2 101.5(4) 1_655 2_674 ?
O1 Li2 Li2 145.7(2) 2_675 2_674 ?
O4 Li2 Li2 83.8(3) 2_674 2_674 ?
Li3 Li2 Li2 62.64(16) 2_674 2_674 ?
Li3 Li2 Li2 149.1(2) 2_675 2_674 ?
O1 Li2 Li2 67.6(4) . 2_675 ?
O2 Li2 Li2 123.8(4) 1_655 2_675 ?
O1 Li2 Li2 40.18(6) 2_675 2_675 ?
O4 Li2 Li2 118.2(4) 2_674 2_675 ?
Li3 Li2 Li2 149.1(2) 2_674 2_675 ?
Li3 Li2 Li2 62.51(17) 2_675 2_675 ?
Li2 Li2 Li2 107.2(2) 2_674 2_675 ?
O1 Li2 Li1 86.34(16) . 1_655 ?
O2 Li2 Li1 37.99(15) 1_655 1_655 ?
O1 Li2 Li1 97.7(4) 2_675 1_655 ?
O4 Li2 Li1 148.6(4) 2_674 1_655 ?
Li3 Li2 Li1 60.7(3) 2_674 1_655 ?
Li3 Li2 Li1 60.4(3) 2_675 1_655 ?
Li2 Li2 Li1 93.0(3) 2_674 1_655 ?
Li2 Li2 Li1 92.6(3) 2_675 1_655 ?
O1 Li2 Si1 98.2(4) . 2_674 ?
O2 Li2 Si1 93.7(4) 1_655 2_674 ?
O1 Li2 Si1 133.80(19) 2_675 2_674 ?
O4 Li2 Si1 31.7(2) 2_674 2_674 ?
Li3 Li2 Si1 61.3(2) 2_674 2_674 ?
Li3 Li2 Si1 145.07(15) 2_675 2_674 ?
Li2 Li2 Si1 60.99(15) 2_674 2_674 ?
Li2 Li2 Si1 142.5(2) 2_675 2_674 ?
Li1 Li2 Si1 122.0(4) 1_655 2_674 ?
O1 Li2 Si1 121.0(4) . 2_675 ?
O2 Li2 Si1 114.7(3) 1_655 2_675 ?
O1 Li2 Si1 28.63(12) 2_675 2_675 ?
O4 Li2 Si1 74.0(3) 2_674 2_675 ?
Li3 Li2 Si1 145.02(16) 2_674 2_675 ?
Li3 Li2 Si1 61.1(2) 2_675 2_675 ?
Li2 Li2 Si1 142.5(2) 2_674 2_675 ?
Li2 Li2 Si1 60.97(14) 2_675 2_675 ?
Li1 Li2 Si1 121.5(4) 1_655 2_675 ?
Si1 Li2 Si1 105.18(12) 2_674 2_675 ?
O1 Li2 Si1 144.3(3) . 1_655 ?
O2 Li2 Si1 27.52(9) 1_655 1_655 ?
O1 Li2 Si1 90.7(3) 2_675 1_655 ?
O4 Li2 Si1 95.13(17) 2_674 1_655 ?
Li3 Li2 Si1 60.0(2) 2_674 1_655 ?
Li3 Li2 Si1 60.13(19) 2_675 1_655 ?
Li2 Li2 Si1 122.6(3) 2_674 1_655 ?
Li2 Li2 Si1 122.6(3) 2_675 1_655 ?
Li1 Li2 Si1 60.51(10) 1_655 1_655 ?
Si1 Li2 Si1 89.7(2) 2_674 1_655 ?
Si1 Li2 Si1 89.6(2) 2_675 1_655 ?
O1 Li3 O2 109.7(4) . 2_575 ?
O1 Li3 O5 121.8(3) . 4 ?
O2 Li3 O5 102.4(3) 2_575 4 ?
O1 Li3 O4 111.8(3) . 2_574 ?
O2 Li3 O4 103.3(3) 2_575 2_574 ?
O5 Li3 O4 106.2(3) 4 2_574 ?
O1 Li3 Li2 69.2(3) . 2_675 ?
O2 Li3 Li2 41.8(2) 2_575 2_675 ?
O5 Li3 Li2 116.0(3) 4 2_675 ?
O4 Li3 Li2 128.7(3) 2_574 2_675 ?
O1 Li3 Li2 41.6(3) . 2_674 ?
O2 Li3 Li2 151.2(3) 2_575 2_674 ?
O5 Li3 Li2 96.5(3) 4 2_674 ?
O4 Li3 Li2 91.9(3) 2_574 2_674 ?
Li2 Li3 Li2 110.01(16) 2_675 2_674 ?
O1 Li3 Li1 99.5(3) . 2_574 ?
O2 Li3 Li1 143.4(3) 2_575 2_574 ?
O5 Li3 Li1 41.8(3) 4 2_574 ?
O4 Li3 Li1 85.3(3) 2_574 2_574 ?
Li2 Li3 Li1 146.0(2) 2_675 2_574 ?
Li2 Li3 Li1 61.1(2) 2_674 2_574 ?
O1 Li3 Si1 116.3(3) . 2_575 ?
O2 Li3 Si1 29.49(13) 2_575 2_575 ?
O5 Li3 Si1 115.5(3) 4 2_575 ?
O4 Li3 Si1 74.3(2) 2_574 2_575 ?
Li2 Li3 Si1 62.3(2) 2_675 2_575 ?
Li2 Li3 Si1 147.44(16) 2_674 2_575 ?
Li1 Li3 Si1 143.26(18) 2_574 2_575 ?
O1 Li3 Li1 123.4(3) . 2_575 ?
O2 Li3 Li1 38.4(2) 2_575 2_575 ?
O5 Li3 Li1 64.7(3) 4 2_575 ?
O4 Li3 Li1 119.7(3) 2_574 2_575 ?
Li2 Li3 Li1 61.1(2) 2_675 2_575 ?
Li2 Li3 Li1 146.1(2) 2_674 2_575 ?
Li1 Li3 Li1 106.50(19) 2_574 2_575 ?
Si1 Li3 Li1 61.4(2) 2_575 2_575 ?
O1 Li3 Si1 93.2(3) . 2_574 ?
O2 Li3 Si1 135.4(2) 2_575 2_574 ?
O5 Li3 Si1 96.5(3) 4 2_574 ?
O4 Li3 Si1 32.22(17) 2_574 2_574 ?
Li2 Li3 Si1 147.44(17) 2_675 2_574 ?
Li2 Li3 Si1 62.0(2) 2_674 2_574 ?
Li1 Li3 Si1 61.4(2) 2_574 2_574 ?
Si1 Li3 Si1 106.15(13) 2_575 2_574 ?
Li1 Li3 Si1 143.38(18) 2_575 2_574 ?
O1 Li3 Li2 84.21(18) . 1_455 ?
O2 Li3 Li2 85.1(3) 2_575 1_455 ?
O5 Li3 Li2 146.9(2) 4 1_455 ?
O4 Li3 Li2 41.20(18) 2_574 1_455 ?
Li2 Li3 Li2 91.1(3) 2_675 1_455 ?
Li2 Li3 Li2 90.9(2) 2_674 1_455 ?
Li1 Li3 Li2 120.4(3) 2_574 1_455 ?
Si1 Li3 Li2 59.2(2) 2_575 1_455 ?
Li1 Li3 Li2 120.6(3) 2_575 1_455 ?
Si1 Li3 Li2 59.1(2) 2_574 1_455 ?
O1 Li3 Al1 143.1(2) . 2_575 ?
O2 Li3 Al1 81.8(2) 2_575 2_575 ?
O5 Li3 Al1 87.53(15) 4 2_575 ?
O4 Li3 Al1 32.48(9) 2_574 2_575 ?
Li2 Li3 Al1 120.6(3) 2_675 2_575 ?
Li2 Li3 Al1 120.9(3) 2_674 2_575 ?
Li1 Li3 Al1 88.15(19) 2_574 2_575 ?
Si1 Li3 Al1 58.42(12) 2_575 2_575 ?
Li1 Li3 Al1 87.8(2) 2_575 2_575 ?
Si1 Li3 Al1 58.90(11) 2_574 2_575 ?
Li2 Li3 Al1 61.37(11) 1_455 2_575 ?
O1 Si1 O2 114.70(9) . . ?
O1 Si1 O4 109.22(10) . . ?
O2 Si1 O4 110.20(11) . . ?
O1 Si1 O3 109.89(11) . . ?
O2 Si1 O3 108.21(10) . . ?
O4 Si1 O3 104.08(9) . . ?
O1 Si1 Li3 92.93(12) . 2_574 ?
O2 Si1 Li3 37.31(15) . 2_574 ?
O4 Si1 Li3 147.43(14) . 2_574 ?
O3 Si1 Li3 89.66(12) . 2_574 ?
O1 Si1 Li3 120.48(12) . 2_575 ?
O2 Si1 Li3 69.00(16) . 2_575 ?
O4 Si1 Li3 42.08(15) . 2_575 ?
O3 Si1 Li3 125.60(11) . 2_575 ?
Li3 Si1 Li3 106.15(13) 2_574 2_575 ?
O1 Si1 Li2 69.2(2) . 2_675 ?
O2 Si1 Li2 121.44(11) . 2_675 ?
O4 Si1 Li2 40.83(18) . 2_675 ?
O3 Si1 Li2 125.72(10) . 2_675 ?
Li3 Si1 Li2 143.68(12) 2_574 2_675 ?
Li3 Si1 Li2 62.3(2) 2_575 2_675 ?
O1 Si1 Li2 36.0(2) . 2_674 ?
O2 Si1 Li2 95.11(13) . 2_674 ?
O4 Si1 Li2 144.87(19) . 2_674 ?
O3 Si1 Li2 89.91(13) . 2_674 ?
Li3 Si1 Li2 62.4(2) 2_574 2_674 ?
Li3 Si1 Li2 143.75(11) 2_575 2_674 ?
Li2 Si1 Li2 105.18(12) 2_675 2_674 ?
O1 Si1 Li2 91.54(12) . 1_455 ?
O2 Si1 Li2 34.34(15) . 1_455 ?
O4 Si1 Li2 97.0(3) . 1_455 ?
O3 Si1 Li2 142.34(16) . 1_455 ?
Li3 Si1 Li2 57.7(2) 2_574 1_455 ?
Li3 Si1 Li2 57.8(2) 2_575 1_455 ?
Li2 Si1 Li2 90.4(2) 2_675 1_455 ?
Li2 Si1 Li2 90.3(2) 2_674 1_455 ?
O1 Si1 Li1 89.32(14) . 1_655 ?
O2 Si1 Li1 145.02(16) . 1_655 ?
O4 Si1 Li1 82.7(3) . 1_655 ?
O3 Si1 Li1 37.1(2) . 1_655 ?
Li3 Si1 Li1 122.2(3) 2_574 1_655 ?
Li3 Si1 Li1 121.7(3) 2_575 1_655 ?
Li2 Si1 Li1 90.0(2) 2_675 1_655 ?
Li2 Si1 Li1 90.3(2) 2_674 1_655 ?
Li2 Si1 Li1 179.14(14) 1_455 1_655 ?
O1 Si1 Li1 145.43(17) . 3_565 ?
O2 Si1 Li1 88.49(11) . 3_565 ?
O4 Si1 Li1 83.8(3) . 3_565 ?
O3 Si1 Li1 35.81(18) . 3_565 ?
Li3 Si1 Li1 91.3(2) 2_574 3_565 ?
Li3 Si1 Li1 91.0(2) 2_575 3_565 ?
Li2 Si1 Li1 121.6(3) 2_675 3_565 ?
Li2 Si1 Li1 122.0(3) 2_674 3_565 ?
Li2 Si1 Li1 119.28(10) 1_455 3_565 ?
Li1 Si1 Li1 59.88(8) 1_655 3_565 ?
Si1 O1 Li3 118.2(2) . . ?
Si1 O1 Li2 117.8(3) . . ?
Li3 O1 Li2 104.9(3) . . ?
Si1 O1 Li2 115.37(17) . 2_674 ?
Li3 O1 Li2 98.0(3) . 2_674 ?
Li2 O1 Li2 99.2(4) . 2_674 ?
Si1 O2 Li1 121.5(2) . . ?
Si1 O2 Li2 118.1(2) . 1_455 ?
Li1 O2 Li2 102.6(3) . 1_455 ?
Si1 O2 Li3 113.20(17) . 2_574 ?
Li1 O2 Li3 101.4(4) . 2_574 ?
Li2 O2 Li3 95.9(4) 1_455 2_574 ?
Si1 O3 Al1 119.56(11) . . ?
Si1 O3 Li1 113.1(3) . 1_655 ?
Al1 O3 Li1 104.2(4) . 1_655 ?
Si1 O3 Li1 116.0(3) . 3_565 ?
Al1 O3 Li1 101.8(4) . 3_565 ?
Li1 O3 Li1 99.6(3) 1_655 3_565 ?
Si1 O4 Al1 123.17(13) . 1_556 ?
Si1 O4 Li2 107.4(4) . 2_675 ?
Al1 O4 Li2 112.2(3) 1_556 2_675 ?
Si1 O4 Li3 105.7(3) . 2_575 ?
Al1 O4 Li3 108.0(2) 1_556 2_575 ?
Li2 O4 Li3 97.0(3) 2_675 2_575 ?
Al1 O5 Al1 123.37(11) 3_465 . ?
Al1 O5 Li1 107.40(14) 3_465 3_564 ?
Al1 O5 Li1 106.34(16) . 3_564 ?
Al1 O5 Li3 109.50(16) 3_465 4_544 ?
Al1 O5 Li3 111.81(17) . 4_544 ?
Li1 O5 Li3 94.2(3) 3_564 4_544 ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        27.52
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.290
_refine_diff_density_min         -0.329
_refine_diff_density_rms         0.075
