LMucko/crystallography-open-database huggingface dataset:
Hydrothermal versus non-hydrothermal for the synthesis of the molybdoarsenate anion [Mo4O8(HAs3O7)2]4-. Crystal structure of [H3N(CH2)3NH3]2[Mo4O8(HAs3O7)2].2H2O
Dumas, E.; Livage, C.; Riou, D.; Herve, G.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 151–159; doi:

data_4030861
_publ_section_title
;
 Hydrothermal versus non-hydrothermal for the synthesis of the
 molybdoarsenate anion [Mo4O8(HAs3O7)2]4-. Crystal structure of
 [H3N(CH2)3NH3]2[Mo4O8(HAs3O7)2].2H2O
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              151
_journal_page_last               159
_journal_volume                  34
_journal_year                    1997
_chemical_formula_moiety         'As3 H Mo2 O11, C3 H12 N2, H2 O'
_chemical_formula_sum            'C3 H15 As3 Mo2 N2 O12'
_chemical_formula_weight         687.81
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.11(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.412(1)
_cell_length_b                   9.175(1)
_cell_length_c                   13.819(2)
_cell_volume                     1532.7(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    8.125
_exptl_crystal_density_diffrn    2.978
_exptl_crystal_F_000             1304
_refine_ls_number_parameters     210
_refine_ls_number_reflns         2594
_refine_ls_R_factor_gt           0.036
_refine_ls_wR_factor_gt          0.081
_cod_data_source_file            EJSSIC-1997-34-151-159.cif
_cod_data_source_block           Mo4O8
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4030861
Structure and stability of BaTiSi~2~O~7~
Viani, Alberto; Palermo, Andrea; Zanardi, Stefano; Demitri, Nicola; Petrícek, Václav; Varini, Federico; Belluso, Elena; Ståhl, Kenny; Gualtieri, Alessandro Francesco; Acta Crystallographica Section B 71 (2015) –; doi:10.1107/S2052520615002942

data_2106010
_publ_section_title
;
 Structure and stability of BaTiSi~2~O~7~
;
_journal_coeditor_code           PO5015
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2052520615002942
_journal_volume                  71
_journal_year                    2015
_chemical_formula_sum            'Ba O6.84 Si2 Ti'
_chemical_formula_weight         350.88
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             2014-06-05T16:41
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
;
2014-06-05T16:41  Initial CIF as created by GSAS2CIF

2014-06-05 # Formatted by publCIF
;
_cell_angle_alpha                90.0
_cell_angle_beta                 100.3211(31)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   7.98355(31)
_cell_length_b                   10.0084(4)
_cell_length_c                   7.47952(27)
_cell_measurement_temperature    295
_cell_volume                     587.96(4)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      295
_diffrn_radiation_source         synchrotron
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.70448
_exptl_crystal_density_diffrn    4
_pd_block_id
2014-06-05T16:41|BTS2_Monoclinic|Viani_Alberto||
_pd_char_colour                  colourless
_pd_phase_name                   BaTiSi2O7
_pd_prep_temperature             1473
_pd_proc_ls_prof_R_factor        0.0418
_pd_proc_ls_prof_wR_factor       0.0535
_refine_ls_goodness_of_fit_all   11.41
_refine_ls_matrix_type           full
_refine_ls_number_parameters     179
_refine_ls_number_restraints     8
_refine_ls_shift/su_max          0.04
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            po5015sup1.cf
_cod_data_source_block           BTS2_Monoclinic
_cod_original_cell_volume        587.97(5)
_cod_database_code               2106010
Structure and stability of BaTiSi~2~O~7~
Viani, Alberto; Palermo, Andrea; Zanardi, Stefano; Demitri, Nicola; Petrícek, Václav; Varini, Federico; Belluso, Elena; Ståhl, Kenny; Gualtieri, Alessandro Francesco; Acta Crystallographica Section B 71 (2015) –; doi:10.1107/S2052520615002942

data_2106011
_publ_section_title
;
 Structure and stability of BaTiSi~2~O~7~
;
_journal_coeditor_code           PO5015
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2052520615002942
_journal_volume                  71
_journal_year                    2015
_chemical_formula_sum            'Ba O7 Si2 Ti'
_chemical_formula_weight         353.39
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2014-06-05T16:41
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
;
2014-06-05T16:41  Initial CIF as created by GSAS2CIF

2014-06-05 # Formatted by publCIF
;
_cell_angle_alpha                90.0836(3)
_cell_angle_beta                 100.3679(3)
_cell_angle_gamma                89.9368(3)
_cell_formula_units_Z            4
_cell_length_a                   7.99385(4)
_cell_length_b                   10.01017(5)
_cell_length_c                   7.47514(4)
_cell_measurement_temperature    295
_cell_volume                     588.392(5)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      295
_diffrn_radiation_source         synchrotron
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.70448
_exptl_crystal_density_diffrn    4
_pd_block_id                     2014-06-06T06:23|BATISI2O7D_phase4|pippo||
_pd_char_colour                  colourless
_pd_phase_name                   BATISI2O7
_pd_prep_temperature             1473
_pd_proc_ls_prof_R_factor        0.0418
_pd_proc_ls_prof_wR_factor       0.0535
_refine_ls_goodness_of_fit_all   11.41
_refine_ls_matrix_type           full
_refine_ls_number_parameters     179
_refine_ls_number_restraints     8
_refine_ls_shift/su_max          0.04
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            po5015sup1.cf
_cod_data_source_block           BATISI2O7D_Triclinic
_cod_original_cell_volume        588.392(6)
_cod_database_code               2106011
Synthesis and characterization of the solid solution, Ca(2-x)MnxP2O7, 0<x<2 crystal structure of CaMnP2O7
Amroussi, F.; Moqine, A.; Boukhari, A.; Holt, E. M.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 161–168; doi:

data_4030862
_publ_section_title
;
 Synthesis and characterization of the solid solution, Ca(2-x)MnxP2O7,
 0<x<2 crystal structure of CaMnP2O7
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              161
_journal_page_last               168
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'Ca Mn O7 P2'
_chemical_formula_weight         269.0
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                65.90(3)
_cell_angle_beta                 83.49(4)
_cell_angle_gamma                87.29(4)
_cell_formula_units_Z            2
_cell_length_a                   6.562(3)
_cell_length_b                   6.604(3)
_cell_length_c                   6.610(3)
_cell_volume                     259.8(2)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    4.124
_exptl_crystal_density_diffrn    3.438
_exptl_crystal_F_000             262
_refine_ls_number_reflns         712
_refine_ls_R_factor_gt           0.0574
_refine_ls_wR_factor_gt          0.0678
_cod_data_source_file            EJSSIC-1997-34-161-168.cif
_cod_data_source_block           CaMnP2O7
_cod_database_code               4030862
New halides in the tungsten octahedral cluster chemistry, Cu2W6X14 (X = Cl, Br): crystal structure of Cu2W6Br14
Ihmaine, S.; Perrin, C.; Sergent, M.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 169–178; doi:

data_4030863
_publ_section_title
;
 New halides in the tungsten octahedral cluster chemistry, Cu2W6X14 (X =
 Cl, Br): crystal structure of Cu2W6Br14
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              169
_journal_page_last               178
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'Br14 Cu2 W6'
_chemical_formula_weight         2348.9
_space_group_IT_number           201
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      201
_symmetry_space_group_name_Hall  '-P 2ab 2bc 3'
_symmetry_space_group_name_H-M   'P n -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.3866(6)
_cell_length_b                   13.3866(6)
_cell_length_c                   13.3866(6)
_cell_volume                     2398.89(19)
_diffrn_ambient_temperature      295
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    54.12
_exptl_crystal_density_diffrn    6.503
_exptl_crystal_F_000             3968
_refine_ls_goodness_of_fit_ref   0.986
_refine_ls_number_parameters     35
_refine_ls_number_reflns         891
_refine_ls_R_factor_gt           0.035
_refine_ls_wR_factor_gt          0.037
_cod_data_source_file            EJSSIC-1997-34-169-178.cif
_cod_data_source_block           Cu2W6Br14
_cod_original_cell_volume        2398.9(3)
_cod_original_sg_symbol_H-M      'P n -3'
_cod_database_code               4030863
A new family of lanthanide oxalate carbonate, [Ln(H2O)]2(C2O4)(CO3)2 with Ln = Eu...Ho, presenting a relatively open framework
Romero, S.; Moset, A.; Trombe, J. C.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 209–219; doi:

data_4030864
_publ_section_title
;
 A new family of lanthanide oxalate carbonate, [Ln(H2O)]2(C2O4)(CO3)2 with
 Ln = Eu...Ho, presenting a relatively open framework
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              209
_journal_page_last               219
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'C4 H4 Gd O12'
_chemical_formula_weight         401.317
_space_group_IT_number           38
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      38
_symmetry_space_group_name_Hall  'C -2 2'
_symmetry_space_group_name_H-M   'C 2 m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.8941(9)
_cell_length_b                   15.127(2)
_cell_length_c                   4.7931(4)
_cell_volume                     572.36(11)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    11.54
_exptl_crystal_density_diffrn    3.22
_refine_ls_number_parameters     44
_refine_ls_number_reflns         711
_refine_ls_R_factor_gt           0.0215
_refine_ls_wR_factor_gt          0.0225
_cod_data_source_file            EJSSIC-1997-34-209-219.cif
_cod_data_source_block           Gd
_cod_database_code               4030864
A new type of triphosphate group : crystal structure and magnetic properties of Co2LiP3O10
Rissouli, K.; Benkhouja, K.; Sadel, A.; Bettach, M.; Zahir, M.; Giorgi, M.; Pierrot, M.; Drillon, M.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 221–230; doi:

data_4030865
_publ_section_title
;
 A new type of triphosphate group : crystal structure and magnetic
 properties of Co2LiP3O10
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              221
_journal_page_last               230
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'Co2 Li O10 P3'
_chemical_formula_weight         377.71
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.76(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.589(1)
_cell_length_b                   8.446(2)
_cell_length_c                   8.976(3)
_cell_volume                     344.71(16)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    5.54
_exptl_crystal_density_diffrn    3.639
_exptl_crystal_F_000             364
_refine_ls_goodness_of_fit_ref   1.46
_refine_ls_number_parameters     86
_refine_ls_number_reflns         1536
_refine_ls_R_factor_gt           0.033
_refine_ls_wR_factor_gt          0.042
_cod_data_source_file            EJSSIC-1997-34-221-230.cif
_cod_data_source_block           Co2LiP3O10
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               4030865
Synthesis and crystal strucyure of the heteronuclear chain trichloroacetate CuNd2(Cl3CCOO)8.6H2O
Kutlu, I.; Meyer, G.; Oczko, G.; Legendziewicz, J.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 231–238; doi:

data_4030866
_publ_section_title
;
 Synthesis and crystal strucyure of the heteronuclear chain
 trichloroacetate CuNd2(Cl3CCOO)8.6H2O
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              231
_journal_page_last               238
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'C16 H12 Cl24 Cu Nd2 O22'
_chemical_formula_weight         1759.15
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                98.71(1)
_cell_angle_beta                 107.14(1)
_cell_angle_gamma                103.14(1)
_cell_formula_units_Z            2
_cell_length_a                   11.773(2)
_cell_length_b                   12.071(2)
_cell_length_c                   19.843(3)
_cell_volume                     2550.8(8)
_diffrn_ambient_temperature      170
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    3.520
_exptl_crystal_density_diffrn    2.265
_exptl_crystal_F_000             1658
_refine_ls_goodness_of_fit_ref   1.225
_refine_ls_number_parameters     587
_refine_ls_number_reflns         11640
_refine_ls_R_factor_gt           0.0576
_refine_ls_wR_factor_gt          0.1467
_cod_data_source_file            EJSSIC-1997-34-231-238.cif
_cod_data_source_block           CuNd2
_cod_original_cell_volume        20
_cod_database_code               4030866
Crystal structure of KZrF5
Gaumet, V.; El-Ghozzi, M.; Avignant, D.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 283–293; doi:

data_4030867
_publ_section_title
;
 Crystal structure of KZrF5
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              283
_journal_page_last               293
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'F5 K Zr'
_chemical_formula_weight         225.3
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                75.04(1)
_cell_angle_beta                 71.57(1)
_cell_angle_gamma                66.13(2)
_cell_formula_units_Z            6
_cell_length_a                   7.370(1)
_cell_length_b                   8.461(1)
_cell_length_c                   10.711(1)
_cell_volume                     572.89(14)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    3.918
_exptl_crystal_density_diffrn    3.92
_exptl_crystal_F_000             624
_refine_ls_number_parameters     191
_refine_ls_number_reflns         5056
_refine_ls_R_factor_gt           0.031
_refine_ls_wR_factor_gt          0.033
_cod_data_source_file            EJSSIC-1997-34-283-293.cif
_cod_data_source_block           KZrF5
_cod_database_code               4030867
Crystal structure of Pb7.12In18.88Se34
Eddike, D.; Ramdani, A.; Brun, G.; Liautard, B.; Tedenac, J. C.; Tillard, M.; Belin, C.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 309–316; doi:

data_4030868
_publ_section_title
;
 Crystal structure of Pb7.12In18.88Se34
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              309
_journal_page_last               316
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'In18.88 Pb7.12 Se34'
_chemical_formula_weight         6327.67
_space_group_IT_number           55
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   23.783(5)
_cell_length_b                   15.781(5)
_cell_length_c                   4.052(1)
_cell_volume                     1520.8(7)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    46.973
_exptl_crystal_density_diffrn    6.909
_exptl_crystal_F_000             2665
_refine_ls_number_parameters     97
_refine_ls_number_reflns         777
_refine_ls_R_factor_gt           0.067
_cod_data_source_file            EJSSIC-1997-34-309-316.cif
_cod_data_source_block           PbInSe
_cod_database_code               4030868
On the averaged crystal structure of the TlZn(1.5+x)Zr(1.5-x)F(10-2x) (x = 0.15)
Gaumet, V.; El-Ghozzi, M.; Cousseins, J. C.; Avignant, D.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 343–354; doi:

data_4030869
_publ_section_title
;
 On the averaged crystal structure of the TlZn(1.5+x)Zr(1.5-x)F(10-2x) (x
 = 0.15)
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              343
_journal_page_last               354
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'F9.7 Tl Zn1.65 Zr1.35'
_chemical_formula_weight         619.745
_space_group_IT_number           47
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      47
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.994(1)
_cell_length_b                   6.531(1)
_cell_length_c                   7.698(1)
_cell_volume                     200.80(6)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    27.01
_exptl_crystal_density_diffrn    5.092
_exptl_crystal_F_000             272
_refine_ls_number_parameters     33
_refine_ls_number_reflns         404
_refine_ls_R_factor_gt           0.041
_refine_ls_wR_factor_gt          0.044
_cod_data_source_file            EJSSIC-1997-34-343-354.cif
_cod_data_source_block           TlZnZrF
_cod_database_code               4030869
Molecular structures of two cu5II) complexes with tetradentate imine-phenols
Yao, H. H.; Huang, W. T.; Lo, J. M.; Liao, F. L.; Wang, S. L.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 355–366; doi:

data_4030870
_publ_section_title
;
 Molecular structures of two cu5II) complexes with tetradentate
 imine-phenols
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              355
_journal_page_last               366
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'C20 H20 Cu N2 O2'
_chemical_formula_weight         383.9
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.876(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.6082(7)
_cell_length_b                   19.127(2)
_cell_length_c                   11.550(1)
_cell_volume                     1680.6(3)
_diffrn_ambient_temperature      296
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.315
_exptl_crystal_density_diffrn    1.517
_exptl_crystal_F_000             796
_refine_ls_goodness_of_fit_ref   1.47
_refine_ls_number_parameters     226
_refine_ls_number_reflns         1952
_refine_ls_R_factor_gt           0.0403
_refine_ls_wR_factor_gt          0.0415
_cod_data_source_file            EJSSIC-1997-34-355-366-1.cif
_cod_data_source_block           complex-1
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4030870