# Supplementary Information (SI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2024

####################################################################### 
# 
# 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. 
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data_NaLa(H2O)(SO4)2
_database_code_depnum_ccdc_archive 'CCDC 2351005'
loop_
_audit_author_name
_audit_author_address
'Hao Fu'
;Shenzhen University
China
;
_audit_update_record             
;
2024-04-25 deposited with the CCDC.	2024-08-29 downloaded from the CCDC.
;
_audit_creation_date             2024-04-20
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2017.01.04 svn.r3372 for OlexSys, GUI svn.r5292)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.33(H6 La3 Na3 O27 S6)'
_chemical_formula_sum            'H2 La Na O9 S2'
_chemical_formula_weight         372.04
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
La La -0.2871 2.4523 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      trigonal
_space_group_IT_number           154
_space_group_name_H-M_alt        'P 32 2 1'
_space_group_name_Hall           'P 32 2"'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z+2/3'
'-x+y, -x, z+1/3'
'y, x, -z'
'x-y, -y, -z+1/3'
'-x, -x+y, -z+2/3'

_cell_length_a                   7.060(4)
_cell_length_b                   7.060(4)
_cell_length_c                   12.953(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     559.1(7)
_cell_formula_units_Z            3
_cell_measurement_reflns_used    1639
_cell_measurement_temperature    293.0
_cell_measurement_theta_max      28.095
_cell_measurement_theta_min      3.317
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    6.371
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.5918
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1233 before and 0.0889 after correction.
The Ratio of minimum to maximum transmission is 0.7932.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    3.315
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             522
_exptl_crystal_size_max          0.02
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0912
_diffrn_reflns_av_unetI/netI     0.0416
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8223
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.947
_diffrn_reflns_theta_min         3.332
_diffrn_ambient_temperature      293.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.611
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     1.000
_reflns_number_gt                699
_reflns_number_total             725
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         0.496
_refine_diff_density_min         -0.686
_refine_diff_density_rms         0.160
_refine_ls_abs_structure_details 
;
 Flack x determined using 262 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.00(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     64
_refine_ls_number_reflns         725
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.0272
_refine_ls_R_factor_gt           0.0254
_refine_ls_restrained_S_all      1.097
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0044P)²+1.3008P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0505
_refine_ls_wR_factor_ref         0.0515
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All O(H,H) groups
2. Restrained distances
 La01-H00A \\sim La01-H00B
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(O008) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Others
 Fixed Sof: H00A(0.5) H00B(0.5)
5.a Free rotating group:
 O008(H00A,H00B)
;
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
La01 La 0.0000 -0.43258(10) 0.3333 0.01101(18) Uani 1 2 d DS T P . .
S002 S 0.5600(3) 0.0128(3) 0.41995(11) 0.0115(4) Uani 1 1 d . . . . .
Na03 Na 0.4697(7) 0.4697(7) 0.5000 0.0232(10) Uani 1 2 d S T P . .
O004 O 0.3826(10) -0.1178(12) 0.3476(4) 0.0187(15) Uani 1 1 d . . . . .
O005 O 0.6099(9) -0.1288(9) 0.4846(4) 0.0180(13) Uani 1 1 d . . . . .
O006 O 0.4965(10) 0.1345(10) 0.4922(4) 0.0174(14) Uani 1 1 d . . . . .
O007 O 0.7539(8) 0.1627(9) 0.3593(4) 0.0182(14) Uani 1 1 d . . . . .
O008 O 0.0000 -0.0746(16) 0.3333 0.057(5) Uani 1 2 d S TU P . .
H00A H 0.0765 0.0373 0.2961 0.086 Uiso 0.5 1 d DG . . . .
H00B H -0.0765 -0.0391 0.3706 0.086 Uiso 0.5 1 d DG . . . .


_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
La01 S002 3.198(2) 4_546 ?
La01 S002 3.198(2) 2_544 ?
La01 Na03 4.070(3) 2_654 ?
La01 O004 2.503(7) . ?
La01 O004 2.503(7) 6 ?
La01 O005 2.598(5) 2_544 ?
La01 O005 2.598(5) 4_546 ?
La01 O006 2.596(5) 4_546 ?
La01 O006 2.596(5) 2_544 ?
La01 O007 2.516(6) 1_445 ?
La01 O007 2.516(6) 6_655 ?
La01 O008 2.527(12) . ?
S002 La01 3.198(2) 3_655 ?
S002 Na03 3.286(2) 2_654 ?
S002 O004 1.464(6) . ?
S002 O005 1.476(5) . ?
S002 O006 1.483(6) . ?
S002 O007 1.471(5) . ?
Na03 La01 4.070(3) 1_665 ?
Na03 La01 4.070(3) 3_665 ?
Na03 S002 3.286(2) 3_665 ?
Na03 S002 3.286(2) 6_665 ?
Na03 O004 2.530(5) 3_665 ?
Na03 O004 2.530(5) 6_665 ?
Na03 O005 2.499(7) 1_565 ?
Na03 O005 2.499(7) 4_656 ?
Na03 O006 2.469(6) . ?
Na03 O006 2.469(6) 4_556 ?
Na03 O007 2.868(6) 3_665 ?
Na03 O007 2.868(6) 6_665 ?
O004 Na03 2.530(5) 2_654 ?
O005 La01 2.598(5) 3_655 ?
O005 Na03 2.499(7) 1_545 ?
O006 La01 2.596(5) 3_655 ?
O007 La01 2.516(6) 1_665 ?
O007 Na03 2.868(6) 2_654 ?
O008 H00A 0.8499 . ?
O008 H00B 0.8500 . ?

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
S002 La01 S002 176.50(7) 2_544 4_546 ?
S002 La01 Na03 59.90(5) 2_544 2_654 ?
S002 La01 Na03 121.29(5) 4_546 2_654 ?
O004 La01 S002 85.08(12) . 4_546 ?
O004 La01 S002 96.15(12) . 2_544 ?
O004 La01 S002 96.15(12) 6 4_546 ?
O004 La01 S002 85.08(12) 6 2_544 ?
O004 La01 Na03 36.26(12) . 2_654 ?
O004 La01 Na03 127.17(16) 6 2_654 ?
O004 La01 O004 139.3(3) 6 . ?
O004 La01 O005 71.48(17) 6 4_546 ?
O004 La01 O005 96.63(18) 6 2_544 ?
O004 La01 O005 96.63(18) . 4_546 ?
O004 La01 O005 71.48(17) . 2_544 ?
O004 La01 O006 76.74(19) . 4_546 ?
O004 La01 O006 119.41(18) . 2_544 ?
O004 La01 O006 119.41(18) 6 4_546 ?
O004 La01 O006 76.74(19) 6 2_544 ?
O004 La01 O007 145.5(2) 6 6_655 ?
O004 La01 O007 74.1(2) 6 1_445 ?
O004 La01 O007 145.5(2) . 1_445 ?
O004 La01 O007 74.1(2) . 6_655 ?
O004 La01 O008 69.63(17) 6 . ?
O004 La01 O008 69.63(17) . . ?
O005 La01 S002 27.05(12) 4_546 4_546 ?
O005 La01 S002 27.05(12) 2_544 2_544 ?
O005 La01 S002 155.28(12) 4_546 2_544 ?
O005 La01 S002 155.28(12) 2_544 4_546 ?
O005 La01 Na03 36.18(12) 2_544 2_654 ?
O005 La01 Na03 129.68(12) 4_546 2_654 ?
O005 La01 O005 146.2(2) 2_544 4_546 ?
O006 La01 S002 27.19(13) 2_544 2_544 ?
O006 La01 S002 150.05(13) 2_544 4_546 ?
O006 La01 S002 27.19(13) 4_546 4_546 ?
O006 La01 S002 150.05(13) 4_546 2_544 ?
O006 La01 Na03 108.59(15) 4_546 2_654 ?
O006 La01 Na03 84.23(13) 2_544 2_654 ?
O006 La01 O005 143.46(17) 4_546 2_544 ?
O006 La01 O005 54.18(17) 2_544 2_544 ?
O006 La01 O005 143.46(17) 2_544 4_546 ?
O006 La01 O005 54.18(17) 4_546 4_546 ?
O006 La01 O006 135.9(3) 2_544 4_546 ?
O007 La01 S002 81.78(13) 6_655 2_544 ?
O007 La01 S002 95.43(13) 6_655 4_546 ?
O007 La01 S002 95.43(13) 1_445 2_544 ?
O007 La01 S002 81.78(13) 1_445 4_546 ?
O007 La01 Na03 71.49(13) 6_655 2_654 ?
O007 La01 Na03 140.95(13) 1_445 2_654 ?
O007 La01 O005 85.81(17) 6_655 2_544 ?
O007 La01 O005 122.14(17) 6_655 4_546 ?
O007 La01 O005 122.14(17) 1_445 2_544 ?
O007 La01 O005 85.81(17) 1_445 4_546 ?
O007 La01 O006 77.07(18) 6_655 2_544 ?
O007 La01 O006 68.28(17) 1_445 2_544 ?
O007 La01 O006 77.07(18) 1_445 4_546 ?
O007 La01 O006 68.28(17) 6_655 4_546 ?
O007 La01 O007 75.6(2) 6_655 1_445 ?
O007 La01 O008 142.22(12) 1_445 . ?
O007 La01 O008 142.22(12) 6_655 . ?
O008 La01 S002 91.75(4) . 2_544 ?
O008 La01 S002 91.75(4) . 4_546 ?
O008 La01 Na03 73.12(5) . 2_654 ?
O008 La01 O005 73.12(12) . 2_544 ?
O008 La01 O005 73.12(12) . 4_546 ?
O008 La01 O006 112.07(13) . 2_544 ?
O008 La01 O006 112.07(13) . 4_546 ?
La01 S002 Na03 177.01(8) 3_655 2_654 ?
O004 S002 La01 130.0(2) . 3_655 ?
O004 S002 Na03 47.2(2) . 2_654 ?
O004 S002 O005 110.8(4) . . ?
O004 S002 O006 111.0(4) . . ?
O004 S002 O007 107.8(3) . . ?
O005 S002 La01 53.2(2) . 3_655 ?
O005 S002 Na03 125.6(2) . 2_654 ?
O005 S002 O006 106.1(3) . . ?
O006 S002 La01 53.1(2) . 3_655 ?
O006 S002 Na03 127.7(2) . 2_654 ?
O007 S002 La01 122.1(2) . 3_655 ?
O007 S002 Na03 60.7(2) . 2_654 ?
O007 S002 O005 109.8(3) . . ?
O007 S002 O006 111.2(3) . . ?
La01 Na03 La01 114.01(12) 3_665 1_665 ?
S002 Na03 La01 122.77(8) 6_665 3_665 ?
S002 Na03 La01 60.87(5) 6_665 1_665 ?
S002 Na03 La01 60.87(5) 3_665 3_665 ?
S002 Na03 La01 122.77(8) 3_665 1_665 ?
S002 Na03 S002 174.26(18) 6_665 3_665 ?
O004 Na03 La01 122.8(2) 3_665 1_665 ?
O004 Na03 La01 35.81(15) 6_665 1_665 ?
O004 Na03 La01 122.8(2) 6_665 3_665 ?
O004 Na03 La01 35.81(15) 3_665 3_665 ?
O004 Na03 S002 158.48(18) 6_665 3_665 ?
O004 Na03 S002 25.11(14) 3_665 3_665 ?
O004 Na03 S002 158.48(18) 3_665 6_665 ?
O004 Na03 S002 25.11(14) 6_665 6_665 ?
O004 Na03 O004 151.3(4) 3_665 6_665 ?
O004 Na03 O007 51.67(17) 6_665 6_665 ?
O004 Na03 O007 142.5(2) 6_665 3_665 ?
O004 Na03 O007 142.5(2) 3_665 6_665 ?
O004 Na03 O007 51.67(17) 3_665 3_665 ?
O005 Na03 La01 37.85(12) 4_656 1_665 ?
O005 Na03 La01 37.85(12) 1_565 3_665 ?
O005 Na03 La01 87.51(16) 4_656 3_665 ?
O005 Na03 La01 87.51(16) 1_565 1_665 ?
O005 Na03 S002 86.76(13) 4_656 3_665 ?
O005 Na03 S002 86.76(13) 1_565 6_665 ?
O005 Na03 S002 97.65(14) 4_656 6_665 ?
O005 Na03 S002 97.65(14) 1_565 3_665 ?
O005 Na03 O004 72.7(2) 4_656 6_665 ?
O005 Na03 O004 85.3(2) 4_656 3_665 ?
O005 Na03 O004 72.7(2) 1_565 3_665 ?
O005 Na03 O004 85.3(2) 1_565 6_665 ?
O005 Na03 O005 80.2(3) 4_656 1_565 ?
O005 Na03 O007 88.67(17) 1_565 6_665 ?
O005 Na03 O007 88.67(17) 4_656 3_665 ?
O005 Na03 O007 123.99(17) 4_656 6_665 ?
O005 Na03 O007 123.99(17) 1_565 3_665 ?
O006 Na03 La01 147.62(13) 4_556 1_665 ?
O006 Na03 La01 68.64(14) . 1_665 ?
O006 Na03 La01 68.64(14) 4_556 3_665 ?
O006 Na03 La01 147.62(13) . 3_665 ?
O006 Na03 S002 87.60(13) 4_556 3_665 ?
O006 Na03 S002 89.86(12) . 3_665 ?
O006 Na03 S002 87.60(13) . 6_665 ?
O006 Na03 S002 89.86(12) 4_556 6_665 ?
O006 Na03 O004 113.74(18) 4_556 6_665 ?
O006 Na03 O004 79.4(2) 4_556 3_665 ?
O006 Na03 O004 113.74(18) . 3_665 ?
O006 Na03 O004 79.4(2) . 6_665 ?
O006 Na03 O005 76.55(17) 4_556 1_565 ?
O006 Na03 O005 76.55(17) . 4_656 ?
O006 Na03 O005 155.1(3) 4_556 4_656 ?
O006 Na03 O005 155.1(3) . 1_565 ?
O006 Na03 O006 127.7(4) . 4_556 ?
O006 Na03 O007 96.9(2) . 6_665 ?
O006 Na03 O007 64.55(16) 4_556 6_665 ?
O006 Na03 O007 64.55(16) . 3_665 ?
O006 Na03 O007 96.9(2) 4_556 3_665 ?
O007 Na03 La01 87.41(11) 3_665 3_665 ?
O007 Na03 La01 115.26(12) 3_665 1_665 ?
O007 Na03 La01 115.26(12) 6_665 3_665 ?
O007 Na03 La01 87.41(11) 6_665 1_665 ?
O007 Na03 S002 149.25(17) 6_665 3_665 ?
O007 Na03 S002 149.25(17) 3_665 6_665 ?
O007 Na03 S002 26.56(11) 3_665 3_665 ?
O007 Na03 S002 26.56(11) 6_665 6_665 ?
O007 Na03 O007 139.0(3) 6_665 3_665 ?
La01 O004 Na03 107.9(2) . 2_654 ?
S002 O004 La01 144.1(3) . . ?
S002 O004 Na03 107.7(3) . 2_654 ?
S002 O005 La01 99.8(3) . 3_655 ?
S002 O005 Na03 136.1(3) . 1_545 ?
Na03 O005 La01 105.97(18) 1_545 3_655 ?
S002 O006 La01 99.7(3) . 3_655 ?
S002 O006 Na03 140.5(3) . . ?
Na03 O006 La01 115.9(2) . 3_655 ?
La01 O007 Na03 105.55(18) 1_665 2_654 ?
S002 O007 La01 139.0(3) . 1_665 ?
S002 O007 Na03 92.8(3) . 2_654 ?
La01 O008 H00A 127.7 . . ?
La01 O008 H00B 127.7 . . ?
H00A O008 H00B 104.5 . . ?

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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
La01 S002 O004 La01 -5.9(9) 3_655 . . . ?
La01 S002 O004 Na03 -178.55(13) 3_655 . . 2_654 ?
La01 S002 O005 Na03 125.5(5) 3_655 . . 1_545 ?
La01 S002 O006 Na03 154.4(7) 3_655 . . . ?
La01 S002 O007 La01 -63.6(5) 3_655 . . 1_665 ?
La01 S002 O007 Na03 178.72(11) 3_655 . . 2_654 ?
Na03 S002 O004 La01 172.7(9) 2_654 . . . ?
Na03 S002 O005 La01 -176.63(12) 2_654 . . 3_655 ?
Na03 S002 O005 Na03 -51.1(5) 2_654 . . 1_545 ?
Na03 S002 O006 La01 176.41(12) 2_654 . . 3_655 ?
Na03 S002 O006 Na03 -29.2(8) 2_654 . . . ?
Na03 S002 O007 La01 117.7(5) 2_654 . . 1_665 ?
O004 S002 O005 La01 -125.1(3) . . . 3_655 ?
O004 S002 O005 Na03 0.4(5) . . . 1_545 ?
O004 S002 O006 La01 125.0(3) . . . 3_655 ?
O004 S002 O006 Na03 -80.6(6) . . . . ?
O004 S002 O007 La01 117.3(5) . . . 1_665 ?
O004 S002 O007 Na03 -0.4(4) . . . 2_654 ?
O005 S002 O004 La01 52.9(8) . . . . ?
O005 S002 O004 Na03 -119.8(3) . . . 2_654 ?
O005 S002 O006 La01 4.5(4) . . . 3_655 ?
O005 S002 O006 Na03 158.9(5) . . . . ?
O005 S002 O007 La01 -121.9(5) . . . 1_665 ?
O005 S002 O007 Na03 120.4(3) . . . 2_654 ?
O006 S002 O004 La01 -64.7(8) . . . . ?
O006 S002 O004 Na03 122.6(3) . . . 2_654 ?
O006 S002 O005 La01 -4.5(4) . . . 3_655 ?
O006 S002 O005 Na03 121.0(4) . . . 1_545 ?
O006 S002 O007 La01 -4.7(6) . . . 1_665 ?
O006 S002 O007 Na03 -122.3(3) . . . 2_654 ?
O007 S002 O004 La01 173.2(6) . . . . ?
O007 S002 O004 Na03 0.5(5) . . . 2_654 ?
O007 S002 O005 La01 115.9(3) . . . 3_655 ?
O007 S002 O005 Na03 -118.6(4) . . . 1_545 ?
O007 S002 O006 La01 -114.9(3) . . . 3_655 ?
O007 S002 O006 Na03 39.5(7) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
