LMucko/crystallography-open-database huggingface dataset:
Highly efficient sorption and luminescence sensing of oxoanionic species by 8-connected alkyl-amino functionalized Zr4+ MOFs
Pournara, Anastasia; Evangelou, Dimitrios; Roukounaki, Christina; Andreou, Evangelos K.; Armatas, Gerasimos S.; Lazarides, Theodore; Manos, Manolis J.; Dalton Transactions  (2022) –; doi:10.1039/D2DT02848D

data_7711587
_publ_section_title
;
 Highly efficient sorption and luminescence sensing of oxoanionic species
 by 8-connected alkyl-amino functionalized Zr4+ MOFs
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT02848D
_journal_year                    2022
_chemical_compound_source        'see text'
_chemical_formula_moiety         'C24 H26 N2 O22 Re2 Zr3, 4(O)'
_chemical_formula_sum            'C24 H26 N2 O26 Re2 Zr3'
_chemical_formula_weight         1404.55
_space_group_IT_number           82
_space_group_name_Hall           'I -4'
_space_group_name_H-M_alt        'I -4'
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_audit_update_record
;
2022-08-29 deposited with the CCDC.	2022-10-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.675(6)
_cell_length_b                   14.675(6)
_cell_length_c                   20.768(8)
_cell_volume                     4473(3)
_computing_cell_refinement       'TOPAS V.6, BRUKER'
_computing_publication_material  'PLATON (Spek, 2003)'
_computing_structure_refinement  'TOPAS V.6, BRUKER'
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'BRUKER D2 PHASER'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    16.609
_exptl_crystal_density_diffrn    2.086
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_F_000             2648
_cod_data_source_file            d2dt02848d2.cif
_cod_data_source_block           BUTReO4
_cod_original_cell_volume        4473(4)
_cod_database_code               7711587
Highly efficient sorption and luminescence sensing of oxoanionic species by 8-connected alkyl-amino functionalized Zr4+ MOFs
Pournara, Anastasia; Evangelou, Dimitrios; Roukounaki, Christina; Andreou, Evangelos K.; Armatas, Gerasimos S.; Lazarides, Theodore; Manos, Manolis J.; Dalton Transactions  (2022) –; doi:10.1039/D2DT02848D

data_7711588
_publ_section_title
;
 Highly efficient sorption and luminescence sensing of oxoanionic species
 by 8-connected alkyl-amino functionalized Zr4+ MOFs
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT02848D
_journal_year                    2022
_chemical_compound_source        'see text'
_chemical_formula_moiety         '2(C12 H12 Cr2 N O13 Zr1.50), 4(O)'
_chemical_formula_sum            'C24 H24 Cr4 N2 O30 Zr3'
_chemical_formula_weight         1302.11
_space_group_IT_number           87
_space_group_name_Hall           '-I 4'
_space_group_name_H-M_alt        'I 4/m'
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_audit_update_record
;
2022-08-29 deposited with the CCDC.	2022-10-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.655(18)
_cell_length_b                   14.655(18)
_cell_length_c                   20.74(2)
_cell_volume                     4454(9)
_computing_cell_refinement       'TOPAS V.6, BRUKER'
_computing_publication_material  'PLATON (Spek, 2003)'
_computing_structure_refinement  'TOPAS V.6, BRUKER'
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'BRUKER D2 PHASER'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    14.166
_exptl_crystal_density_diffrn    1.942
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_F_000             2552
_cod_data_source_file            d2dt02848d2.cif
_cod_data_source_block           BUTDICHROMATE
_cod_original_cell_volume        4454(12)
_cod_database_code               7711588
A crystal defect led zero thermal quenching β-NaYF4 : Eu3+,Dy3+ red emitting phosphor
Ling, Shaokun; Chen, Chang; Meng, Kai; Yan, Yifeng; Ming, Junyun; Liao, Sen; Huang, Yingheng; RSC Advances 12 (2022) 30803–30816; doi:10.1039/D2RA05674G

data_7245738
_publ_section_title
;
 A crystal defect led zero thermal quenching
 \b-NaYF4&#x2009;:&#x2009;Eu3+,Dy3+ red emitting phosphor
;
_journal_issue                   47
_journal_name_full               'RSC Advances'
_journal_page_first              30803
_journal_page_last               30816
_journal_paper_doi               10.1039/D2RA05674G
_journal_volume                  12
_journal_year                    2022
_chemical_formula_sum            'Eu0.02 F Na0.53 Y0.45'
_chemical_formula_weight         74.12
_space_group_IT_number           176
_space_group_name_Hall           '-P 6c'
_space_group_name_H-M_alt        'P 63/m'
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_H-M   'P 63/m'
_audit_creation_date             2022-06-08T09:08
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2022-06-08T09:08  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            6
_cell_length_a                   5.985309(27)
_cell_length_b                   5.985309
_cell_length_c                   3.52072(5)
_cell_volume                     109.2283(16)
_computing_structure_refinement  GSAS
_pd_block_id                     2022-06-08T09:08|NYFED-1_phase1|NYFED-22.6.8||
_pd_phase_name                   'from F:/GSAS/MyWork/NYFE-5.cif'
_refine_ls_goodness_of_fit_all   1.38
_refine_ls_matrix_type           full
_refine_ls_number_parameters     156
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.19
_refine_ls_shift/su_mean         0.03
_cod_data_source_file            d2ra05674g1.cif
_cod_data_source_block           NYFED-1_phase_1
_cod_original_cell_volume        109.2280(20)
_cod_database_code               7245738
The crystal structure, thermal expansion and far-IR spectrum of propanal (CH<sub>3</sub>CH<sub>2</sub>CHO) determined using powder X-ray diffraction, neutron scattering, periodic DFT and synchrotron techniques.
Maynard-Casely, Helen E; Yevstigneyev, Nikita S.; Duyker, Samuel G.; Ennis, Courtney; Physical chemistry chemical physics : PCCP 24 (2021) 122–128; doi:10.1039/d1cp04477j

data_7245739
_publ_section_title
;
 The crystal structure, thermal expansion and far-IR spectrum of propanal
 (CH<sub>3</sub>CH<sub>2</sub>CHO) determined using powder X-ray
 diffraction, neutron scattering, periodic DFT and synchrotron techniques.
;
_journal_issue                   1
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              122
_journal_page_last               128
_journal_paper_doi               10.1039/d1cp04477j
_journal_volume                  24
_journal_year                    2021
_chemical_formula_sum            'C3 H6 O'
_chemical_formula_weight         58.08
_chemical_melting_point          170
_chemical_name_mineral           Propanal
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yab'
_space_group_name_H-M_alt        'P 1 21/a 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_audit_update_record
;
2021-09-28 deposited with the CCDC.	2021-12-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.508(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.9833(6)
_cell_length_b                   4.2238(2)
_cell_length_c                   9.4734(6)
_cell_measurement_temperature    100
_cell_volume                     356.37(4)
_diffrn_ambient_temperature      100
_diffrn_detector                 'MYTHEN detector'
_diffrn_measurement_device_type  'STOE STADI P'
_diffrn_radiation_source         'sealed X-ray tube'
_diffrn_radiation_type           'Mo k\a'
_diffrn_radiation_wavelength     0.7094059
_exptl_crystal_density_diffrn    1.082
_exptl_crystal_description       powder
_exptl_crystal_recrystallization_method 'From the Melt'
_cod_data_source_file            d1cp04477j2.cif
_cod_data_source_block           propanal
_cod_original_sg_symbol_H-M      P21/a
_cod_original_formula_sum        'C3 H6 O1'
_cod_database_code               7245739
A new electron diffraction approach for structure refinement applied to Ca~3~Mn~2~O~7~
Beanland, R.; Smith, K.; Vaněk, P.; Zhang, H.; Hubert, A.; Evans, K.; Römer, R. A.; Kamba, S.; Acta Crystallographica Section A 77 (2021) 196–207; doi:10.1107/S2053273321001546

data_2312030
_publ_section_title
;
 A new electron diffraction approach for structure refinement applied to
 Ca~3~Mn~2~O~7~
;
_journal_coeditor_code           LU5005SUP1
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section A'
_journal_page_first              196
_journal_page_last               207
_journal_paper_doi               10.1107/S2053273321001546
_journal_volume                  77
_journal_year                    2021
_chemical_formula_moiety         'Ca3 Mn2 O7'
_chemical_formula_sum            'Ca3 Mn2 O7'
_space_group_IT_number           36
_space_group_name_Hall           'C 2c -2'
_space_group_name_H-M_alt        'C m c 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      36
_symmetry_space_group_name_H-M   'C m c 21'
_audit_creation_date             2020-11-06
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.460
_cell_length_b                   5.243
_cell_length_c                   5.239
_cell_volume                     534.529
_diffrn_ambient_temperature      302
_cod_data_source_file            lu5005sup1.cif
_cod_data_source_block           302K
_cod_original_cell_volume        534.53
_cod_database_code               2312030
A new electron diffraction approach for structure refinement applied to Ca~3~Mn~2~O~7~
Beanland, R.; Smith, K.; Vaněk, P.; Zhang, H.; Hubert, A.; Evans, K.; Römer, R. A.; Kamba, S.; Acta Crystallographica Section A 77 (2021) 196–207; doi:10.1107/S2053273321001546

data_2312031
_publ_section_title
;
 A new electron diffraction approach for structure refinement applied to
 Ca~3~Mn~2~O~7~
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section A'
_journal_page_first              196
_journal_page_last               207
_journal_paper_doi               10.1107/S2053273321001546
_journal_volume                  77
_journal_year                    2021
_chemical_formula_moiety         'Ca3 Mn2 O7'
_chemical_formula_sum            'Ca3 Mn2 O7'
_space_group_IT_number           36
_space_group_name_Hall           'C 2c -2'
_space_group_name_H-M_alt        'C m c 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      36
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.435
_cell_length_b                   5.258
_cell_length_c                   5.247
_cell_volume                     536.187
_diffrn_ambient_temperature      373
_cod_data_source_file            lu5005sup1.cif
_cod_data_source_block           373K
_cod_original_cell_volume        536.19
_cod_database_code               2312031
A new electron diffraction approach for structure refinement applied to Ca~3~Mn~2~O~7~
Beanland, R.; Smith, K.; Vaněk, P.; Zhang, H.; Hubert, A.; Evans, K.; Römer, R. A.; Kamba, S.; Acta Crystallographica Section A 77 (2021) 196–207; doi:10.1107/S2053273321001546

data_2312032
_publ_section_title
;
 A new electron diffraction approach for structure refinement applied to
 Ca~3~Mn~2~O~7~
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section A'
_journal_page_first              196
_journal_page_last               207
_journal_paper_doi               10.1107/S2053273321001546
_journal_volume                  77
_journal_year                    2021
_chemical_formula_moiety         'Ca3 Mn2 O7'
_chemical_formula_sum            'Ca3 Mn2 O7'
_space_group_IT_number           36
_space_group_name_Hall           'C 2c -2'
_space_group_name_H-M_alt        'C m c 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      36
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.425
_cell_length_b                   5.278
_cell_length_c                   5.259
_cell_volume                     539.180
_diffrn_ambient_temperature      473
_cod_data_source_file            lu5005sup1.cif
_cod_data_source_block           473K
_cod_original_cell_volume        539.18
_cod_database_code               2312032
A new electron diffraction approach for structure refinement applied to Ca~3~Mn~2~O~7~
Beanland, R.; Smith, K.; Vaněk, P.; Zhang, H.; Hubert, A.; Evans, K.; Römer, R. A.; Kamba, S.; Acta Crystallographica Section A 77 (2021) 196–207; doi:10.1107/S2053273321001546

data_2312033
_publ_section_title
;
 A new electron diffraction approach for structure refinement applied to
 Ca~3~Mn~2~O~7~
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section A'
_journal_page_first              196
_journal_page_last               207
_journal_paper_doi               10.1107/S2053273321001546
_journal_volume                  77
_journal_year                    2021
_chemical_formula_moiety         'Ca3 Mn2 O7'
_chemical_formula_sum            'Ca3 Mn2 O7'
_space_group_IT_number           36
_space_group_name_Hall           'C 2c -2'
_space_group_name_H-M_alt        'C m c 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      36
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.440
_cell_length_b                   5.300
_cell_length_c                   5.275
_cell_volume                     543.494
_diffrn_ambient_temperature      573
_cod_data_source_file            lu5005sup1.cif
_cod_data_source_block           573K
_cod_original_cell_volume        543.49
_cod_database_code               2312033
A new electron diffraction approach for structure refinement applied to Ca~3~Mn~2~O~7~
Beanland, R.; Smith, K.; Vaněk, P.; Zhang, H.; Hubert, A.; Evans, K.; Römer, R. A.; Kamba, S.; Acta Crystallographica Section A 77 (2021) 196–207; doi:10.1107/S2053273321001546

data_2312034
_publ_section_title
;
 A new electron diffraction approach for structure refinement applied to
 Ca~3~Mn~2~O~7~
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section A'
_journal_page_first              196
_journal_page_last               207
_journal_paper_doi               10.1107/S2053273321001546
_journal_volume                  77
_journal_year                    2021
_chemical_formula_moiety         'Ca3 Mn2 O7'
_chemical_formula_sum            'Ca3 Mn2 O7'
_space_group_IT_number           36
_space_group_name_Hall           'C 2c -2'
_space_group_name_H-M_alt        'C m c 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      36
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.455
_cell_length_b                   5.325
_cell_length_c                   5.290
_cell_volume                     548.033
_diffrn_ambient_temperature      673
_cod_data_source_file            lu5005sup1.cif
_cod_data_source_block           673K
_cod_original_cell_volume        548.03
_cod_database_code               2312034
Nikodem KUŹNIK; Kusz, Joachim; Książek, Maria; To be published  () –; doi:

data_3000421
_journal_name_full               'To be published'
_chemical_formula_sum            'C9 H8 Li N O3'
_space_group_name_Hall           '-I 2ya'
_space_group_name_H-M_alt        'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.865(8)
_cell_angle_gamma                90
_cell_length_a                   11.6482(9)
_cell_length_b                   5.0003(4)
_cell_length_c                   30.317(2)
_cell_measurement_temperature    100(2)
_cell_volume                     1753.1(2)
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_R_factor_all          0.1278
_refine_ls_R_factor_gt           0.0750
_refine_ls_wR_factor_gt          0.1833
_refine_ls_wR_factor_ref         0.2193
_cod_database_code               3000421
_cod_hold_until_date             2023-04-02
Nikodem KUŹNIK; Kusz, Joachim; Książek, Maria; To be published  () –; doi:

data_3000422
_journal_name_full               'To be published'
_chemical_formula_sum            'C18 H18 N2 Na2 O8'
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.906(2)
_cell_angle_gamma                90
_cell_length_a                   8.6872(2)
_cell_length_b                   5.87440(10)
_cell_length_c                   19.0522(6)
_cell_measurement_temperature    100(2)
_cell_volume                     960.55(4)
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_R_factor_all          0.0381
_refine_ls_R_factor_gt           0.0361
_refine_ls_wR_factor_gt          0.0965
_refine_ls_wR_factor_ref         0.0983
_cod_database_code               3000422
_cod_hold_until_date             2023-04-02
Crystal Structure of Cesium-Sodium Molybdate Dihydrate
Makitova, D. D.; Tkachev, V. V.; Chekhlov, A. N.; Russian Journal of Coordination Chemistry 29 (2003) 163–165; doi:10.1023/A:1022871428397

data_1567893
_publ_section_title
;
 Crystal Structure of Cesium-Sodium Molybdate Dihydrate
;
_journal_issue                   3
_journal_name_full               'Russian Journal of Coordination Chemistry'
_journal_page_first              163
_journal_page_last               165
_journal_paper_doi               10.1023/A:1022871428397
_journal_volume                  29
_journal_year                    2003
_chemical_formula_moiety         'Cs Na Mo O4, 2(H2 O)'
_chemical_formula_sum            'Cs H4 Mo Na O6'
_chemical_formula_weight         351.87
_chemical_name_systematic
;
Cesium sodium molybdate Dihydrate
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_H-M   'P 21 21 21'
_audit_creation_method           'manually at INEOS RAS'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.379(2)
_cell_length_b                   8.631(2)
_cell_length_c                   13.670(2)
_cell_volume                     752.6(3)
_diffrn_ambient_temperature      295
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_exptl_crystal_density_diffrn    3.105
_refine_ls_R_factor_gt           0.021
_refine_ls_wR_factor_ref         0.066
_cod_data_source_file            R42old.cif
_cod_data_source_block           compound_R42old
_cod_original_formula_sum        'Cs H4 Na Mo O6'
_cod_database_code               1567893
Aliovalent anion substitution as a design concept for heteroanionic Ruddlesden–Popper hydrides
Zapp, Nicolas; Oehler, Florian; Bertmer, Marko; Auer, Henry; Sheptyakov, Denis; Ritter, Clemens; Kohlmann, Holger; Chemical Communications  (2022) –; doi:10.1039/D2CC04356D

data_7130951
_publ_section_title
;
 Aliovalent anion substitution as a design concept for heteroanionic
 Ruddlesden--Popper hydrides
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D2CC04356D
_journal_year                    2022
_chemical_formula_sum            'D4.84 La4 Li2 N3.16'
_chemical_formula_weight         623.52
_space_group_IT_number           139
_space_group_name_Hall           '-I 4 2'
_space_group_name_H-M_alt        'I 4/m m m'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            1
_cell_length_a                   3.69326(8)
_cell_length_b                   3.69326(8)
_cell_length_c                   13.4133(3)
_cell_measurement_temperature    295
_cell_volume                     182.960(7)
_computing_structure_refinement  FullProf
_diffrn_ambient_temperature      295
_diffrn_measurement_device_type
;
   'D20'
;
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.865
_diffrn_source                   'nuclear reactor'
_exptl_crystal_density_diffrn    5.659
_pd_meas_2theta_range_inc        0.05000
_pd_meas_2theta_range_max        148.2000
_pd_meas_2theta_range_min        0.0000
_pd_meas_number_of_points        3200
_pd_proc_2theta_range_inc        0.05
_pd_proc_2theta_range_max        148.2
_pd_proc_2theta_range_min        10.00
_pd_proc_ls_prof_R_factor        0.0403
_pd_proc_ls_prof_wR_expected     0.0309
_pd_proc_ls_prof_wR_factor       0.0513
_pd_spec_mounting                'vanadium container'
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   1.66
_refine_ls_R_I_factor            0.0406
_refine_ls_shift/su_max          0.05
_cod_data_source_file            d2cc04356d3.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Tetragonal' was changed to
'tetragonal' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_cell_volume        182.961(7)
_cod_original_formula_sum        ' D4.84 La4 Li2 N3.16 '
_cod_database_code               7130951