LMucko/crystallography-open-database huggingface dataset:
Isotope and bonding effects in ammonium oxalate monohydrate, determined by the combined use of neutron and X-ray diffraction analyses Locality: synthetic Sample: HOX(N)
Taylor, J. C.; Sabine, T. M.; Acta Crystallographica, Section B 28 (1972) 3340–3351; doi:10.1107/S0567740872007927

data_9011126
_publ_section_title
;Isotope and bonding effects in ammonium oxalate monohydrate, determined by
 the combined use of neutron and X-ray diffraction analyses Locality:
 synthetic Sample: HOX(N)
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              3340
_journal_page_last               3351
_journal_paper_doi               10.1107/S0567740872007927
_journal_volume                  28
_journal_year                    1972
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C2 H10 N2 O5'
_chemical_name_mineral           Oxammite
_space_group_IT_number           18
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.035
_cell_length_b                   10.309
_cell_length_c                   3.795
_cell_volume                     314.351
_cell_formula_units_Z            2
_database_code_amcsd             0009461
_exptl_crystal_density_diffrn    1.501
_cod_original_formula_sum        'N2 H10 C2 O5'
_cod_database_code               9011126
Isotope and bonding effects in ammonium oxalate monohydrate, determined by the combined use of neutron and X-ray diffraction analyses Locality: synthetic Sample: NOX(N)
Taylor, J. C.; Sabine, T. M.; Acta Crystallographica, Section B 28 (1972) 3340–3351; doi:10.1107/S0567740872007927

data_9011127
_publ_section_title
;Isotope and bonding effects in ammonium oxalate monohydrate, determined by
 the combined use of neutron and X-ray diffraction analyses Locality:
 synthetic Sample: NOX(N)
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              3340
_journal_page_last               3351
_journal_paper_doi               10.1107/S0567740872007927
_journal_volume                  28
_journal_year                    1972
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C2 H2 N2 O5'
_chemical_name_mineral           Oxammite
_space_group_IT_number           18
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.025
_cell_length_b                   10.300
_cell_length_c                   3.799
_cell_volume                     314.016
_database_code_amcsd             0009462
_exptl_crystal_density_diffrn    1.418
_cod_original_formula_sum        'N2 C2 O5 H2'
_cod_database_code               9011127
Isotope and bonding effects in ammonium oxalate monohydrate, determined by the combined use of neutron and X-ray diffraction analyses Locality: synthetic Sample: DOX(N)
Taylor, J. C.; Sabine, T. M.; Acta Crystallographica, Section B 28 (1972) 3340–3351; doi:10.1107/S0567740872007927

data_9011128
_publ_section_title
;Isotope and bonding effects in ammonium oxalate monohydrate, determined by
 the combined use of neutron and X-ray diffraction analyses Locality:
 synthetic Sample: DOX(N)
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              3340
_journal_page_last               3351
_journal_paper_doi               10.1107/S0567740872007927
_journal_volume                  28
_journal_year                    1972
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C2 H10 N2 O5'
_chemical_name_mineral           Oxammite
_space_group_IT_number           18
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.027
_cell_length_b                   10.298
_cell_length_c                   3.816
_cell_volume                     315.438
_cell_formula_units_Z            2
_database_code_amcsd             0009463
_exptl_crystal_density_diffrn    1.496
_cod_original_formula_sum        'N2 H10 C2 O5'
_cod_database_code               9011128
The structure of the potassium salt of mu4-oxo-hexa-mu-chloro- tetra[chlorocuprate(II)], K4Cu4OCl10
de Boer, J. J.; Bright, D.; Helle, J. N.; Acta Crystallographica, Section B 28 (1972) 3436–3437; doi:10.1107/S0567740872008088

data_9011129
_publ_section_title
;
 The structure of the potassium salt of mu4-oxo-hexa-mu-chloro-
 tetra[chlorocuprate(II)], K4Cu4OCl10
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              3436
_journal_page_last               3437
_journal_paper_doi               10.1107/S0567740872008088
_journal_volume                  28
_journal_year                    1972
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cl10 Cu4 K4 O'
_chemical_name_mineral           Ponomarevite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.74
_cell_angle_gamma                90
_cell_length_a                   14.70
_cell_length_b                   14.88
_cell_length_c                   8.95
_cell_formula_units_Z            4
_cell_volume                     1893.260
_database_code_amcsd             0009464
_exptl_crystal_density_diffrn    2.740
_cod_original_formula_sum        'K4 Cu4 O Cl10'
_cod_database_code               9011129
The crystal structure of sborgite, NaB5O6(OH)4*3H2O
Merlino, S.; Sartori, F.; Acta Crystallographica, Section B 28 (1972) 3559–3567; doi:10.1107/S0567740872008349

data_9011130
_publ_section_title
;
 The crystal structure of sborgite, NaB5O6(OH)4*3H2O
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              3559
_journal_page_last               3567
_journal_paper_doi               10.1107/S0567740872008349
_journal_volume                  28
_journal_year                    1972
_chemical_compound_source        Synthetic
_chemical_formula_sum            'B5 H10 Na O13'
_chemical_name_mineral           Sborgite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.83
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.119
_cell_length_b                   16.474
_cell_length_c                   13.576
_cell_volume                     2291.962
_database_code_amcsd             0009465
_exptl_crystal_density_diffrn    1.711
_cod_original_formula_sum        'Na B5 O13 H10'
_cod_database_code               9011130
Structure of strontium hydroxide phosphate, Sr5(PO4)3OH Locality: synthetic
Sudarsanan, K.; Young, R. A.; Acta Crystallographica, Section B 28 (1972) 3668–3670; doi:10.1107/S0567740872008544

data_9011131
_publ_section_title
;
 Structure of strontium hydroxide phosphate, Sr5(PO4)3OH
 Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              3668
_journal_page_last               3670
_journal_paper_doi               10.1107/S0567740872008544
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'H0.886 O12.886 P3 Sr4.894'
_chemical_name_mineral           Strontium-apatite
_space_group_IT_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            2
_cell_length_a                   9.745
_cell_length_b                   9.745
_cell_length_c                   7.265
_cell_volume                     597.489
_exptl_crystal_density_diffrn    4.051
_cod_original_formula_sum        'Sr4.894 P3 O12.886 H.886'
_cod_database_code               9011131
_database_code_amcsd             0009466
Structure of strontium hydroxide phosphate, Sr5(PO4)3OH Locality: synthetic
Sudarsanan, K.; Young, R. A.; Acta Crystallographica, Section B 28 (1972) 3668–3670; doi:10.1107/S0567740872008544

data_9011132
_publ_section_title
;
 Structure of strontium hydroxide phosphate, Sr5(PO4)3OH
 Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              3668
_journal_page_last               3670
_journal_paper_doi               10.1107/S0567740872008544
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'H0.886 O12.886 P3 Sr4.894'
_chemical_name_mineral           Apatite-(SrOH)
_space_group_IT_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            2
_cell_length_a                   9.745
_cell_length_b                   9.745
_cell_length_c                   7.265
_cell_volume                     597.489
_exptl_crystal_density_diffrn    4.051
_cod_duplicate_entry             9011131
_cod_original_formula_sum        'Sr4.894 P3 O12.886 H.886'
_cod_database_code               9011132
The crystal structure of Cu3PSe4 and other ternary normal tetrahedral structure compounds with composition 1_356_4
Garin, J.; Parthe, E.; Acta Crystallographica, Section B 28 (1972) 3672–3674; doi:10.1107/S0567740872008568

data_9011133
_publ_section_title
;
 The crystal structure of Cu3PSe4 and other ternary normal tetrahedral
 structure compounds with composition 1_356_4
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              3672
_journal_page_last               3674
_journal_paper_doi               10.1107/S0567740872008568
_journal_volume                  28
_journal_year                    1972
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu3 S4 Sb'
_chemical_name_mineral           Famatinite
_space_group_IT_number           121
_symmetry_space_group_name_Hall  'I -4 2'
_symmetry_space_group_name_H-M   'I -4 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.385
_cell_length_b                   5.385
_cell_length_c                   10.754
_cell_formula_units_Z            2
_cell_volume                     311.847
_database_code_amcsd             0009468
_exptl_crystal_density_diffrn    4.693
_cod_original_formula_sum        'Cu3 Sb S4'
_cod_database_code               9011133
The crystal structure of Cu3PSe4 and other ternary normal tetrahedral structure compounds with composition 1_356_4
Garin, J.; Parthe, E.; Acta Crystallographica, Section B 28 (1972) 3672–3674; doi:10.1107/S0567740872008568

data_9011134
_publ_section_title
;
 The crystal structure of Cu3PSe4 and other ternary normal tetrahedral
 structure compounds with composition 1_356_4
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              3672
_journal_page_last               3674
_journal_paper_doi               10.1107/S0567740872008568
_journal_volume                  28
_journal_year                    1972
_chemical_compound_source        Synthetic
_chemical_formula_structural     Cu3PSe4
_chemical_formula_sum            'Cu3 P Se4'
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.697
_cell_length_b                   6.661
_cell_length_c                   6.381
_cell_formula_units_Z            2
_cell_volume                     327.152
_database_code_amcsd             0009469
_exptl_crystal_density_diffrn    5.456
_cod_database_code               9011134
_amcsd_formula_title             Cu3PSe4
Die kristallstrukturen von yttrium-vanadat, lutetium-phosphat und lutetium-arsenat Locality: synthetic Note: isostructural with Chernovite-(Y)
Lohmuller, G.; Schmidt, G.; Deppisch, B.; Gramlich, V.; Scheringer, C.; Acta Crystallographica, Section B 29 (1973) 141–142; doi:10.1107/S0567740873002098

data_9011135
_publ_section_title
;Die kristallstrukturen von yttrium-vanadat, lutetium-phosphat und
 lutetium-arsenat Locality: synthetic Note: isostructural with Chernovite-(Y)
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              141
_journal_page_last               142
_journal_paper_doi               10.1107/S0567740873002098
_journal_volume                  29
_journal_year                    1973
_chemical_compound_source        Synthetic
_chemical_formula_structural     Lu(AsO4)
_chemical_formula_sum            'As Lu O4'
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.949
_cell_length_b                   6.949
_cell_length_c                   6.227
_cell_formula_units_Z            4
_cell_volume                     300.693
_database_code_amcsd             0009470
_exptl_crystal_density_diffrn    6.934
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_original_formula_sum        'Lu As O4'
_cod_database_code               9011135
_amcsd_formula_title             Lu(AsO4)
Die kristallstrukturen von yttrium-vanadat, lutetium-phosphat und lutetium-arsenat Locality: synthetic Note: isostructural with xenotime-(Y)
Lohmuller, G.; Schmidt, G.; Deppisch, B.; Gramlich, V.; Scheringer, C.; Acta Crystallographica, Section B 29 (1973) 141–142; doi:10.1107/S0567740873002098

data_9011136
_publ_section_title
;Die kristallstrukturen von yttrium-vanadat, lutetium-phosphat und
 lutetium-arsenat Locality: synthetic Note: isostructural with xenotime-(Y)
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              141
_journal_page_last               142
_journal_paper_doi               10.1107/S0567740873002098
_journal_volume                  29
_journal_year                    1973
_chemical_compound_source        Synthetic
_chemical_formula_structural     Lu(PO4)
_chemical_formula_sum            'Lu O4 P'
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.792
_cell_length_b                   6.792
_cell_length_c                   5.955
_cell_formula_units_Z            4
_cell_volume                     274.712
_database_code_amcsd             0009471
_exptl_crystal_density_diffrn    6.527
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_original_formula_sum        'Lu P O4'
_cod_database_code               9011136
_amcsd_formula_title             Lu(PO4)
Die kristallstrukturen von yttrium-vanadat, lutetium-phosphat und lutetium-arsenat Locality: synthetic
Lohmuller, G.; Schmidt, G.; Deppisch, B.; Gramlich, V.; Scheringer, C.; Acta Crystallographica, Section B 29 (1973) 141–142; doi:10.1107/S0567740873002098

data_9011137
_publ_section_title
;Die kristallstrukturen von yttrium-vanadat, lutetium-phosphat und
 lutetium-arsenat Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              141
_journal_page_last               142
_journal_paper_doi               10.1107/S0567740873002098
_journal_volume                  29
_journal_year                    1973
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O4 V Y'
_chemical_name_mineral           Wakefieldite-(Y)
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.120
_cell_length_b                   7.120
_cell_length_c                   6.289
_cell_formula_units_Z            4
_cell_volume                     318.817
_database_code_amcsd             0009472
_exptl_crystal_density_diffrn    4.247
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_original_formula_sum        'Y V O4'
_cod_database_code               9011137
Les hypovanadates MV3O7 (M=Ca,Sr,Cd). Structure cristalline de CaV3O7
Bouloux, J. C.; Galy, J.; Acta Crystallographica, Section B 29 (1973) 269–275; doi:10.1107/S0567740873002335

data_9011138
_publ_section_title
;
 Les hypovanadates MV3O7 (M=Ca,Sr,Cd). Structure cristalline de CaV3O7
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              269
_journal_page_last               275
_journal_paper_doi               10.1107/S0567740873002335
_journal_volume                  29
_journal_year                    1973
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca O7 V3'
_chemical_name_mineral           Cavoite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.459
_cell_length_b                   5.295
_cell_length_c                   10.382
_cell_formula_units_Z            4
_cell_volume                     574.959
_database_code_amcsd             0009473
_exptl_crystal_density_diffrn    3.522
_cod_original_formula_sum        'Ca V3 O7'
_cod_database_code               9011138
Structure cristalline de Ga-delta Loclity: synthetic Sample: at T = 191 K Note: structure known as the delta phase
Bosio, L.; Curien, H.; Dupont, M.; Rimsky, A.; Acta Crystallographica, Section B 29 (1973) 367–368; doi:10.1107/S0567740873002530

data_9011139
_publ_section_title
;
 Structure cristalline de Ga-delta
 Loclity: synthetic
 Sample: at T = 191 K
 Note: structure known as the delta phase
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              367
_journal_page_last               368
_journal_paper_doi               10.1107/S0567740873002530
_journal_volume                  29
_journal_year                    1973
_chemical_formula_sum            Ga
_chemical_name_mineral           Gallium
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.087
_cell_length_b                   9.087
_cell_length_c                   17.02
_cell_formula_units_Z            66
_cell_volume                     1217.114
_database_code_amcsd             0009475
_diffrn_ambient_temperature      191
_exptl_crystal_density_diffrn    7.990
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               9011139
The crystal structure of CuTe2O5
Hanke, K.; Kupcik, V.; Lindqvist, O.; Acta Crystallographica, Section B 29 (1973) 963–970; doi:10.1107/S0567740873003699

data_9011140
_publ_section_title
;
 The crystal structure of CuTe2O5
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              963
_journal_page_last               970
_journal_paper_doi               10.1107/S0567740873003699
_journal_volume                  29
_journal_year                    1973
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu O5 Te2'
_chemical_name_mineral           Rajite
_space_group_IT_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                 109.08
_cell_angle_gamma                90
_cell_length_a                   6.871
_cell_length_b                   9.322
_cell_length_c                   7.602
_cell_formula_units_Z            4
_cell_volume                     460.169
_database_code_amcsd             0009478
_exptl_crystal_density_diffrn    5.756
_cod_original_formula_sum        'Cu Te2 O5'
_cod_database_code               9011140
Structure cristalline de la schmitterite synthetique UTeO5
Meunier, G.; Galy, J.; Acta Crystallographica, Section B 29 (1973) 1251–1255; doi:10.1107/S0567740873004334

data_9011141
_publ_section_title
;
 Structure cristalline de la schmitterite synthetique UTeO5
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1251
_journal_page_last               1255
_journal_paper_doi               10.1107/S0567740873004334
_journal_volume                  29
_journal_year                    1973
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O5 Te U'
_chemical_name_mineral           Schmitterite
_space_group_IT_number           29
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.161
_cell_length_b                   5.363
_cell_length_c                   7.862
_cell_formula_units_Z            4
_cell_volume                     428.427
_database_code_amcsd             0009479
_exptl_crystal_density_diffrn    6.909
_cod_original_formula_sum        'U Te O5'
_cod_database_code               9011141
Crystal structure of Cu5V2O10
Shannon, R. D.; Calvo, C.; Acta Crystallographica, Section B 29 (1973) 1338–1345; doi:10.1107/S0567740873004474

data_9011142
_publ_section_title
;
 Crystal structure of Cu5V2O10
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1338
_journal_page_last               1345
_journal_paper_doi               10.1107/S0567740873004474
_journal_volume                  29
_journal_year                    1973
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu5 O10 V2'
_chemical_name_mineral           Stoiberite
_space_group_IT_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                 108.09
_cell_angle_gamma                90
_cell_length_a                   8.393
_cell_length_b                   6.0652
_cell_length_c                   16.156
_cell_formula_units_Z            4
_cell_volume                     781.772
_database_code_amcsd             0009480
_exptl_crystal_density_diffrn    4.925
_cod_original_formula_sum        'Cu5 V2 O10'
_cod_database_code               9011142