LMucko/crystallography-open-database huggingface dataset:
High-pressure crystal structures of K Mn F3 below and above the phase transition at Pc=3.1GPa
Asbrink, S; Waskowska, A; European Journal of Solid State Inorganic Chemistry 31 (1994) 747–755; doi:

data_4030702
_publ_section_title
;
 High-pressure crystal structures of K Mn F3 below and above the phase
 transition at Pc=3.1GPa
;
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              747
_journal_page_last               755
_journal_volume                  31
_journal_year                    1994
_chemical_formula_structural     'K Mn F3'
_chemical_formula_sum            'F3 K Mn'
_chemical_formula_weight         151.04
_chemical_name_systematic        'Potassium manganese fluoride'
_space_group_IT_number           140
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.817(1)
_cell_length_b                   5.817(1)
_cell_length_c                   8.256(2)
_cell_volume                     279.36(10)
_diffrn_ambient_pressure         4250
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    6.049
_exptl_crystal_density_diffrn    3.591
_exptl_crystal_F_000             284
_refine_ls_number_parameters     8
_refine_ls_number_reflns         67
_refine_ls_R_factor_all          0.0519
_cod_data_source_file            EJSSIC-1994-31-747-755-4.cif
_cod_data_source_block           4
_cod_original_cell_volume        279.4
_cod_database_code               4030702
High-pressure crystal structures of K Mn F3 below and above the phase transition at Pc=3.1GPa
Asbrink, S; Waskowska, A; European Journal of Solid State Inorganic Chemistry 31 (1994) 747–755; doi:

data_4030703
_publ_section_title
;
 High-pressure crystal structures of K Mn F3 below and above the phase
 transition at Pc=3.1GPa
;
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              747
_journal_page_last               755
_journal_volume                  31
_journal_year                    1994
_chemical_formula_structural     'K Mn F3'
_chemical_formula_sum            'F3 K Mn'
_chemical_formula_weight         151.04
_chemical_name_systematic        'Potassium manganese fluoride'
_space_group_IT_number           140
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.784(1)
_cell_length_b                   5.784(1)
_cell_length_c                   8.236(2)
_cell_volume                     275.53(9)
_diffrn_ambient_pressure         5400
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    6.133
_exptl_crystal_density_diffrn    3.641
_exptl_crystal_F_000             284
_refine_ls_number_parameters     8
_refine_ls_number_reflns         43
_refine_ls_R_factor_all          0.0704
_cod_data_source_file            EJSSIC-1994-31-747-755-5.cif
_cod_data_source_block           5
_cod_original_cell_volume        275.5
_cod_database_code               4030703
High-pressure crystal structures of K Mn F3 below and above the phase transition at Pc=3.1GPa
Asbrink, S; Waskowska, A; European Journal of Solid State Inorganic Chemistry 31 (1994) 747–755; doi:

data_4030704
_publ_section_title
;
 High-pressure crystal structures of K Mn F3 below and above the phase
 transition at Pc=3.1GPa
;
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              747
_journal_page_last               755
_journal_volume                  31
_journal_year                    1994
_chemical_formula_structural     'K Mn F3'
_chemical_formula_sum            'F3 K Mn'
_chemical_formula_weight         151.04
_chemical_name_systematic        'Potassium manganese fluoride'
_space_group_IT_number           140
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.742(1)
_cell_length_b                   5.742(1)
_cell_length_c                   8.223(2)
_cell_volume                     271.12(9)
_diffrn_ambient_pressure         6900
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    6.233
_exptl_crystal_density_diffrn    3.700
_exptl_crystal_F_000             284
_refine_ls_number_parameters     8
_refine_ls_number_reflns         73
_refine_ls_R_factor_all          0.0464
_cod_data_source_file            EJSSIC-1994-31-747-755-6.cif
_cod_data_source_block           6
_cod_original_cell_volume        271.1
_cod_database_code               4030704
Crystal structure and electrical properties of SrAl0.61V5.39O11
Norrestam, R.; Nygren, M.; Wen, T. L.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 793–803; doi:

data_4030705
_publ_section_title
;
 Crystal structure and electrical properties of SrAl0.61V5.39O11
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              793
_journal_page_last               803
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'Al0.61 O11 Sr V5.39'
_chemical_formula_weight         554.6
_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.707(2)
_cell_length_b                   5.707(2)
_cell_length_c                   13.310(6)
_cell_volume                     375.4(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    13.2
_exptl_crystal_density_diffrn    4.907
_exptl_crystal_F_000             516
_refine_ls_number_parameters     20
_refine_ls_number_reflns         317
_refine_ls_R_factor_gt           0.027
_refine_ls_wR_factor_gt          0.034
_cod_data_source_file            EJSSIC-1994-31-793-803.cif
_cod_data_source_block           SrAlVO
_cod_original_cell_volume        375.4(4)
_cod_database_code               4030705
Preparation and characterization of a MoO3 with hexagonal structure
Guo, Jingdong; Zavalij, P.; Whittingham, M. S.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 833–842; doi:

data_4030706
_publ_section_title
;
 Preparation and characterization of a MoO3 with hexagonal structure
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              833
_journal_page_last               842
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'H1.1 Mo O3.55'
_chemical_formula_weight         153.847
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   10.58400(6)
_cell_length_b                   10.58400(6)
_cell_length_c                   3.72776(3)
_cell_volume                     361.641(4)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_exptl_crystal_density_diffrn    3.7061
_pd_proc_ls_prof_R_factor        0.075
_pd_proc_ls_prof_wR_factor       0.101
_refine_ls_R_I_factor            0.039
_cod_data_source_file            EJSSIC-1994-31-833-842.cif
_cod_data_source_block           MoO3-0.55H2O
_cod_depositor_comments
;
Rietveld refinements, CSD software package
;
_cod_original_cell_volume        361.642(7)
_cod_original_formula_sum        'H1.10 Mo O3.55'
_cod_database_code               4030706
Phase transitions in the compounds ASbOSiO4 (A = Na, K) and ASbOGeO4 (A = K, Rb). 1. Crystal structures of the paraelectric phases
Favard, J.-F.; Verbaere, A.; Piffard, Y.; Tournoux, M.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 995–1008; doi:

data_4030709
_publ_section_title
;
 Phase transitions in the compounds ASbOSiO4 (A = Na, K) and ASbOGeO4 (A =
 K, Rb). 1. Crystal structures of the paraelectric phases
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              995
_journal_page_last               1008
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'Na O5 Sb Si'
_chemical_formula_weight         252.84
_space_group_IT_number           52
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      52
_symmetry_space_group_name_Hall  '-P 2n 2bc'
_symmetry_space_group_name_H-M   'P n a n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.8561(9)
_cell_length_b                   6.3528(4)
_cell_length_c                   10.6574(8)
_cell_volume                     870.41(10)
_diffrn_ambient_temperature      843
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    6.625
_exptl_crystal_density_diffrn    3.859
_exptl_crystal_F_000             928
_refine_ls_number_parameters     87
_refine_ls_number_reflns         1442
_refine_ls_R_factor_gt           0.041
_refine_ls_wR_factor_gt          0.046
_cod_data_source_file            EJSSIC-1994-31-995-1008-1.cif
_cod_data_source_block           NaSbOSiO4
_cod_database_code               4030709
Phase transitions in the compounds ASbOSiO4 (A = Na, K) and ASbOGeO4 (A = K, Rb). 1. Crystal structures of the paraelectric phases
Favard, J.-F.; Verbaere, A.; Piffard, Y.; Tournoux, M.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 995–1008; doi:

data_4030710
_publ_section_title
;
 Phase transitions in the compounds ASbOSiO4 (A = Na, K) and ASbOGeO4 (A =
 K, Rb). 1. Crystal structures of the paraelectric phases
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              995
_journal_page_last               1008
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'K O5 Sb Si'
_chemical_formula_weight         268.95
_space_group_IT_number           52
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      52
_symmetry_space_group_name_Hall  '-P 2n 2bc'
_symmetry_space_group_name_H-M   'P n a n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.035(3)
_cell_length_b                   6.503(1)
_cell_length_c                   10.609(2)
_cell_volume                     899.3(3)
_diffrn_ambient_temperature      673
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    7.243
_exptl_crystal_density_diffrn    3.973
_exptl_crystal_F_000             992
_refine_ls_number_parameters     87
_refine_ls_number_reflns         944
_refine_ls_R_factor_gt           0.035
_refine_ls_wR_factor_gt          0.044
_cod_data_source_file            EJSSIC-1994-31-995-1008-2.cif
_cod_data_source_block           KSbOSiO4
_cod_database_code               4030710
Phase transitions in the compounds ASbOSiO4 (A = Na, K) and ASbOGeO4 (A = K, Rb). 1. Crystal structures of the paraelectric phases
Favard, J.-F.; Verbaere, A.; Piffard, Y.; Tournoux, M.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 995–1008; doi:

data_4030711
_publ_section_title
;
 Phase transitions in the compounds ASbOSiO4 (A = Na, K) and ASbOGeO4 (A =
 K, Rb). 1. Crystal structures of the paraelectric phases
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              995
_journal_page_last               1008
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'Ge K O5 Sb'
_chemical_formula_weight         313.47
_space_group_IT_number           52
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      52
_symmetry_space_group_name_Hall  '-P 2n 2bc'
_symmetry_space_group_name_H-M   'P n a n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.273(2)
_cell_length_b                   6.633(1)
_cell_length_c                   10.740(2)
_cell_volume                     945.5(3)
_diffrn_ambient_temperature      673
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    12.870
_exptl_crystal_density_diffrn    4.404
_exptl_crystal_F_000             1136
_refine_ls_number_parameters     87
_refine_ls_number_reflns         1025
_refine_ls_R_factor_gt           0.032
_refine_ls_wR_factor_gt          0.040
_cod_data_source_file            EJSSIC-1994-31-995-1008-3.cif
_cod_data_source_block           KSbOGeO4
_cod_original_cell_volume        945.6(3)
_cod_original_formula_sum        'K Ge O5 Sb'
_cod_database_code               4030711
Phase transitions in the compounds ASbOSiO4 (A = Na, K) and ASbOGeO4 (A = K, Rb). 1. Crystal structures of the paraelectric phases
Favard, J.-F.; Verbaere, A.; Piffard, Y.; Tournoux, M.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 995–1008; doi:

data_4030712
_publ_section_title
;
 Phase transitions in the compounds ASbOSiO4 (A = Na, K) and ASbOGeO4 (A =
 K, Rb). 1. Crystal structures of the paraelectric phases
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              995
_journal_page_last               1008
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'Ge O5 Rb Sb'
_chemical_formula_weight         359.84
_space_group_IT_number           52
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      52
_symmetry_space_group_name_Hall  '-P 2n 2bc'
_symmetry_space_group_name_H-M   'P n a n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.432(4)
_cell_length_b                   6.712(2)
_cell_length_c                   10.702(3)
_cell_volume                     964.8(5)
_diffrn_ambient_temperature      523
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    21.774
_exptl_crystal_density_diffrn    4.954
_exptl_crystal_F_000             1280
_refine_ls_number_parameters     62
_refine_ls_number_reflns         606
_refine_ls_R_factor_gt           0.036
_refine_ls_wR_factor_gt          0.040
_cod_data_source_file            EJSSIC-1994-31-995-1008-4.cif
_cod_data_source_block           RbSbOGeO4
_cod_original_cell_volume        964.9(5)
_cod_database_code               4030712
Crystal structure determination of a series of small organic compounds from powder data
Goubitz, K.; Sonneveld, E. J.; Schenk, H.; Zeitschrift für Kristallographie 216 (2001) 176–181; doi:10.1524/zkri.216.3.176.20326

data_8103500
_publ_section_title
;
 Crystal structure determination of a series of small organic compounds from
 powder data
;
_journal_issue                   3
_journal_name_full               'Zeitschrift f\"ur Kristallographie'
_journal_page_first              176
_journal_page_last               181
_journal_paper_doi               10.1524/zkri.216.3.176.20326
_journal_volume                  216
_journal_year                    2001
_chemical_formula_sum            'C5 H5 Br N2'
_chemical_name_systematic        '2-amino, 5-bromo-pyridine'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 106.04(5)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   13.80(1)
_cell_length_b                   5.839(5)
_cell_length_c                   7.687(7)
_cell_volume                     595.291
_cod_data_source_file            c5h5brn2.cif
_cod_data_source_block           C5H5BrN2
_cod_original_cell_volume        595.1
_cod_database_code               8103500
Preparation and structure determination of NbSeBr3
Meerschaut, A.; Grenouilleau, P.; Guemas, L.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 1029–1036; doi:

data_4030713
_publ_section_title
;
 Preparation and structure determination of NbSeBr3
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              1029
_journal_page_last               1036
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'Br3 Nb Se'
_chemical_formula_weight         411.57
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.98(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.6239(9)
_cell_length_b                   6.901(1)
_cell_length_c                   12.539(2)
_cell_volume                     566.15(15)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    29.56
_exptl_crystal_density_diffrn    4.823
_exptl_crystal_F_000             720
_refine_ls_number_parameters     47
_refine_ls_number_reflns         580
_refine_ls_R_factor_gt           0.066
_refine_ls_wR_factor_gt          0.081
_cod_data_source_file            EJSSIC-1994-31-1029-1036.cif
_cod_data_source_block           NbSeBr3
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               4030713
Structure of the first ternary oxohalide with the Nb6 cluster: ScNb6Cl13O3
Cordier, S.; Perrin, C.; Sergent, M.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 1049–1060; doi:

data_4030714
_publ_section_title
;
 Structure of the first ternary oxohalide with the Nb6 cluster:
 ScNb6Cl13O3
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              1049
_journal_page_last               1060
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'Cl13 Nb6 O3 Sc'
_chemical_formula_weight         1111.28
_space_group_IT_number           98
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      98
_symmetry_space_group_name_Hall  'I 4bw 2bw'
_symmetry_space_group_name_H-M   'I 41 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.086(2)
_cell_length_b                   9.086(2)
_cell_length_c                   52.40(2)
_cell_volume                     4326(2)
_diffrn_ambient_temperature      295
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    6.362
_exptl_crystal_density_diffrn    3.517
_exptl_crystal_F_000             4200
_refine_ls_number_parameters     108
_refine_ls_number_reflns         1427
_refine_ls_R_factor_gt           0.030
_refine_ls_wR_factor_gt          0.040
_cod_data_source_file            EJSSIC-1994-31-1049-1060.cif
_cod_data_source_block           CsNb6Cl13O3
_cod_original_cell_volume        4326(3)
_cod_database_code               4030714
Sr4Ru2O9: A structural model resulting from the stacking of [Sr3O9] and [Sr3O6] mixed layers. Structural relationships to related perovskite-type structures
Dussarrat, C.; Fompeyrine, J.; Darriet, J.; European Journal of Solid State and Inorganic Chemistry 32 (1995) 3–14; doi:

data_4030716
_publ_section_title
;
 Sr4Ru2O9: A structural model resulting from the stacking of [Sr3O9] and
 [Sr3O6] mixed layers. Structural relationships to related perovskite-type
 structures
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              3
_journal_page_last               14
_journal_volume                  32
_journal_year                    1995
_chemical_formula_sum            'O9 Ru2 Sr4'
_chemical_formula_weight         696.62
_space_group_IT_number           190
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      190
_symmetry_space_group_name_Hall  'P -6c -2c'
_symmetry_space_group_name_H-M   'P -6 2 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   9.642(2)
_cell_length_b                   9.642(2)
_cell_length_c                   8.104(2)
_cell_volume                     652.5(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    27.76
_exptl_crystal_density_diffrn    5.319
_exptl_crystal_F_000             936
_refine_ls_number_parameters     31
_refine_ls_number_reflns         553
_refine_ls_R_factor_gt           0.037
_refine_ls_wR_factor_gt          0.066
_cod_data_source_file            EJSSIC-1995-32-3-14.cif
_cod_data_source_block           Sr4Ru2O9
_cod_original_cell_volume        652.5(4)
_cod_database_code               4030716