LMucko/crystallography-open-database huggingface dataset:
Salt hydrates. X. The crystal structure determinations of heptasodium fluoride bisphosphate 19-hydrate and heptasodium fluoride bisarsenate 19-hydrate and the computer simulation of the isomorphous vanadate salt Note: not all H were located Locality: synthetic
Baur, W. H.; Tillmanns, E.; Acta Crystallographica, Section B 30 (1974) 2218–2224; doi:10.1107/S0567740874006777

data_9007597
_publ_section_title
;Salt hydrates. X. The crystal structure determinations of heptasodium
 fluoride bisphosphate 19-hydrate and heptasodium fluoride bisarsenate
 19-hydrate and the computer simulation of the isomorphous vanadate salt Note:
 not all H were located Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2218
_journal_page_last               2224
_journal_paper_doi               10.1107/S0567740874006777
_journal_volume                  30
_journal_year                    1974
_chemical_compound_source        Synthetic
_chemical_formula_sum            'F H28 Na7 O27 P2'
_chemical_name_mineral           Natrophosphate
_space_group_IT_number           228
_symmetry_space_group_name_Hall  '-F 4ud 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            32
_cell_length_a                   27.7550
_cell_length_b                   27.7550
_cell_length_c                   27.7550
_cell_volume                     21380.787
_database_code_amcsd             0009515
_exptl_crystal_density_diffrn    1.745
_cod_original_cell_volume        21380.785
_cod_original_sg_symbol_H-M      'F d 3 c'
_cod_original_formula_sum        'Na7 P2 O27 F H28'
_cod_database_code               9007597
Salt hydrates. X. The crystal structure determination of heptasodium fluoride bisphosphate 19-hydrate and heptasodium fluoride bisarsenate 19-hydrate and the computer simulation of the isomorphous vanadate salt
Baur, W. H.; Tillmanns, E.; Acta Crystallographica, Section B 30 (1974) 2218–2224; doi:10.1107/S0567740874006777

data_9007598
_publ_section_title
;Salt hydrates. X. The crystal structure determination of heptasodium fluoride
 bisphosphate 19-hydrate and heptasodium fluoride bisarsenate 19-hydrate and
 the computer simulation of the isomorphous vanadate salt
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2218
_journal_page_last               2224
_journal_paper_doi               10.1107/S0567740874006777
_journal_volume                  30
_journal_year                    1974
_chemical_formula_structural     Na6F(H2O)18(NaH2O)(AsO4)2
_chemical_formula_sum            'As2 F H28 Na7 O27'
_space_group_IT_number           228
_symmetry_space_group_name_Hall  '-F 4ud 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            32
_cell_length_a                   28.12
_cell_length_b                   28.12
_cell_length_c                   28.12
_cell_volume                     22235.451
_database_code_amcsd             0009516
_exptl_crystal_density_diffrn    1.888
_cod_original_cell_volume        22235.453
_cod_original_sg_symbol_H-M      'F d 3 c'
_cod_original_formula_sum        'Na7 F O27 As2 H28'
_cod_database_code               9007598
_amcsd_formula_title             Na6F(H2O)18(NaH2O)(AsO4)2
Crystal structure of magnesium divanadate, Mg2V2O7 Note: There is likely a minor typo in coordinates of O6 because bond lengths cannot be reproduced
Gopal, R.; Calvo, C.; Acta Crystallographica, Section B 30 (1974) 2491–2493; doi:10.1107/S0567740874007400

data_9007599
_publ_section_title
;
 Crystal structure of magnesium divanadate, Mg2V2O7
 Note: There is likely a minor typo in coordinates of O6 because
 bond lengths cannot be reproduced
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2491
_journal_page_last               2493
_journal_paper_doi               10.1107/S0567740874007400
_journal_volume                  30
_journal_year                    1974
_chemical_formula_structural     Mg2V2O7
_chemical_formula_sum            'Mg2 O7 V2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                81.42
_cell_angle_beta                 106.82
_cell_angle_gamma                130.33
_cell_length_a                   13.767
_cell_length_b                   5.414
_cell_length_c                   4.912
_cell_formula_units_Z            2
_cell_volume                     266.795
_database_code_amcsd             0009520
_exptl_crystal_density_diffrn    3.267
_cod_original_formula_sum        'Mg2 V2 O7'
_cod_database_code               9007599
_amcsd_formula_title             Mg2V2O7
Cobalt vanadate, Co2V2O7, and nickel vanadate, Ni2V2O7
Sauerbrei, E. E.; Faggiani, R.; Calvo, C.; Acta Crystallographica, Section B 30 (1974) 2907–2909; doi:10.1107/S0567740874008466

data_9007600
_publ_section_title
;
 Cobalt vanadate, Co2V2O7, and nickel vanadate, Ni2V2O7
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2907
_journal_page_last               2909
_journal_paper_doi               10.1107/S0567740874008466
_journal_volume                  30
_journal_year                    1974
_chemical_formula_structural     Co2V2O7
_chemical_formula_sum            'Co2 O7 V2'
_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                 100.17
_cell_angle_gamma                90
_cell_length_a                   6.594
_cell_length_b                   8.380
_cell_length_c                   9.470
_cell_formula_units_Z            4
_cell_volume                     515.069
_database_code_amcsd             0009523
_exptl_crystal_density_diffrn    4.278
_cod_original_formula_sum        'Co2 V2 O7'
_cod_database_code               9007600
_amcsd_formula_title             Co2V2O7
Cobalt vanadate, Co2V2O7, and nickel vanadate, Ni2V2O7 Note: x-coordinate of O7 altered to reproduce reported bond lengths
Sauerbrei, E. E.; Faggiani, R.; Calvo, C.; Acta Crystallographica, Section B 30 (1974) 2907–2909; doi:10.1107/S0567740874008466

data_9007601
_publ_section_title
;
 Cobalt vanadate, Co2V2O7, and nickel vanadate, Ni2V2O7
 Note: x-coordinate of O7 altered to reproduce reported bond lengths
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2907
_journal_page_last               2909
_journal_paper_doi               10.1107/S0567740874008466
_journal_volume                  30
_journal_year                    1974
_chemical_formula_structural     Ni2V2O7
_chemical_formula_sum            'Ni2 O7 V2'
_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                 99.86
_cell_angle_gamma                90
_cell_length_a                   6.515
_cell_length_b                   8.303
_cell_length_c                   9.350
_cell_formula_units_Z            4
_cell_volume                     498.309
_database_code_amcsd             0009524
_exptl_crystal_density_diffrn    4.415
_cod_original_formula_sum        'Ni2 V2 O7'
_cod_database_code               9007601
_amcsd_formula_title             Ni2V2O7
The crystal structure of paratacamite, Cu2(OH)3Cl Sample: Ordered structure, considered to be the true structure
Fleet, M. E.; Acta Crystallographica, Section B 31 (1975) 183–187; doi:10.1107/S0567740875002324

data_9007602
_publ_section_title
;
 The crystal structure of paratacamite, Cu2(OH)3Cl
 Sample: Ordered structure, considered to be the true structure
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              183
_journal_page_last               187
_journal_paper_doi               10.1107/S0567740875002324
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'Cl Cu2 H3 O3'
_chemical_name_mineral           Paratacamite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            24
_cell_length_a                   13.654
_cell_length_b                   13.654
_cell_length_c                   14.041
_cell_volume                     2266.984
_database_code_amcsd             0009525
_exptl_crystal_density_diffrn    3.754
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Cu2 (O3 Cl) H3'
_cod_database_code               9007602
The crystal structure of paratacamite, Cu2(OH)3Cl Sample: Substructure, can be considered as the average structure
Fleet, M. E.; Acta Crystallographica, Section B 31 (1975) 183–187; doi:10.1107/S0567740875002324

data_9007603
_publ_section_title
;
 The crystal structure of paratacamite, Cu2(OH)3Cl
 Sample: Substructure, can be considered as the average structure
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              183
_journal_page_last               187
_journal_paper_doi               10.1107/S0567740875002324
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'Cl Cu2 H3 O3'
_chemical_name_mineral           Paratacamite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   6.827
_cell_length_b                   6.827
_cell_length_c                   14.041
_cell_formula_units_Z            6
_cell_volume                     566.746
_database_code_amcsd             0009526
_exptl_crystal_density_diffrn    3.754
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Cu2 O3 Cl H3'
_cod_database_code               9007603
The crystal structure of paratacamite, Cu2(OH)3Cl Sample: Substructure, with disordered oxygens
Fleet, M. E.; Acta Crystallographica, Section B 31 (1975) 183–187; doi:10.1107/S0567740875002324

data_9007604
_publ_section_title
;
 The crystal structure of paratacamite, Cu2(OH)3Cl
 Sample: Substructure, with disordered oxygens
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              183
_journal_page_last               187
_journal_paper_doi               10.1107/S0567740875002324
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'Cl Cu2 O3'
_chemical_name_mineral           Paratacamite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   6.827
_cell_length_b                   6.827
_cell_length_c                   14.041
_cell_formula_units_Z            6
_cell_volume                     566.746
_database_code_amcsd             0009527
_exptl_crystal_density_diffrn    3.701
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Cu2 O3 Cl'
_cod_database_code               9007604
Refinement of the crystal structure of scorodite
Kitahama, K.; Kiriyama, R.; Yoshihisa, B.; Acta Crystallographica, Section B 31 (1975) 322–324; doi:10.1107/S056774087500266X

data_9007605
_publ_section_title
;
 Refinement of the crystal structure of scorodite
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              322
_journal_page_last               324
_journal_paper_doi               10.1107/S056774087500266X
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'As Fe H4 O6'
_chemical_name_mineral           Scorodite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.325
_cell_length_b                   8.953
_cell_length_c                   10.038
_cell_volume                     927.910
_database_code_amcsd             0009529
_exptl_crystal_density_diffrn    3.304
_cod_original_formula_sum        'As Fe O6 H4'
_cod_database_code               9007605
Alpha cupric divanadate
Calvo, C.; Faggiani, R.; Acta Crystallographica, Section B 31 (1975) 603–605; doi:10.1107/S0567740875003354

data_9007606
_publ_section_title
;
 Alpha cupric divanadate
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              603
_journal_page_last               605
_journal_paper_doi               10.1107/S0567740875003354
_journal_volume                  31
_journal_year                    1975
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu2 O7 V2'
_chemical_name_mineral           Blossite
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   20.645
_cell_length_b                   8.383
_cell_length_c                   6.442
_cell_formula_units_Z            8
_cell_volume                     1114.898
_database_code_amcsd             0009530
_exptl_crystal_density_diffrn    4.063
_cod_original_formula_sum        'Cu2 V2 O7'
_cod_database_code               9007606
The crystal structure of calcium orthoborate: a redetermination
Vegas, A.; Cano, F. H.; Garcia-Blanco S; Acta Crystallographica, Section B 31 (1975) 1416–1419; doi:10.1107/S0567740875005316

data_9007607
_publ_section_title
;
 The crystal structure of calcium orthoborate: a redetermination
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1416
_journal_page_last               1419
_journal_paper_doi               10.1107/S0567740875005316
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'B2 Ca3 O6'
_chemical_name_mineral           Takedaite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   8.6377
_cell_length_b                   8.6377
_cell_length_c                   11.849
_cell_formula_units_Z            6
_cell_volume                     765.612
_database_code_amcsd             0009534
_exptl_crystal_density_diffrn    3.095
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Ca3 B2 O6'
_cod_database_code               9007607
Refinement of the crystal structure of krohnkite
Hawthorne, F. C.; Ferguson, R. B.; Acta Crystallographica, Section B 31 (1975) 1753–1755; doi:10.1107/S0567740875006048

data_9007608
_publ_section_title
;
 Refinement of the crystal structure of krohnkite
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1753
_journal_page_last               1755
_journal_paper_doi               10.1107/S0567740875006048
_journal_volume                  31
_journal_year                    1975
_chemical_compound_source        'Chuquicamata, Chile'
_chemical_formula_sum            'Cu H4 Na2 O10 S2'
_chemical_name_mineral           Krohnkite
_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                 108.32
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.807
_cell_length_b                   12.656
_cell_length_c                   5.517
_cell_volume                     384.912
_database_code_amcsd             0009535
_exptl_crystal_density_diffrn    2.914
_cod_original_cell_volume        384.913
_cod_original_formula_sum        'Na2 Cu S2 O10 H4'
_cod_database_code               9007608
Refinement of the crystal structure of cubic antiomony trioxide, Sb2O3
Svensson, C.; Acta Crystallographica, Section B 31 (1975) 2016–2018; doi:10.1107/S0567740875006759

data_9007609
_publ_section_title
;
 Refinement of the crystal structure of cubic antiomony trioxide, Sb2O3
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2016
_journal_page_last               2018
_journal_paper_doi               10.1107/S0567740875006759
_journal_volume                  31
_journal_year                    1975
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O3 Sb2'
_chemical_name_mineral           Senarmontite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.1519
_cell_length_b                   11.1519
_cell_length_c                   11.1519
_cell_formula_units_Z            16
_cell_volume                     1386.905
_database_code_amcsd             0009536
_exptl_crystal_density_diffrn    5.584
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Sb2 O3'
_cod_database_code               9007609
The crystal structure of nambulite (Li,Na)Mn4Si5O14(OH)
Narita, H.; Koto, K.; Morimoto, N.; Yoshii, M.; Acta Crystallographica, Section B 31 (1975) 2422–2426; doi:10.1107/S056774087500773X

data_9007610
_publ_section_title
;
 The crystal structure of nambulite (Li,Na)Mn4Si5O14(OH)
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2422
_journal_page_last               2426
_journal_paper_doi               10.1107/S056774087500773X
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'Li0.55 Mn4 Na0.45 O15 Si5'
_chemical_name_mineral           Nambulite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.767
_cell_angle_beta                 95.083
_cell_angle_gamma                106.867
_cell_length_a                   7.621
_cell_length_b                   11.761
_cell_length_c                   6.731
_cell_formula_units_Z            2
_cell_volume                     573.345
_database_code_amcsd             0009545
_exptl_crystal_density_diffrn    3.559
_cod_original_formula_sum        '(Li.55 Na.45) Mn4 Si5 O15'
_cod_database_code               9007610
A re-investigation of the structure of afwillite
Malik, K. M. A.; Jeffery, J. W.; Acta Crystallographica, Section B 32 (1976) 475–480; doi:10.1107/S0567740876003270

data_9007611
_publ_section_title
;
 A re-investigation of the structure of afwillite
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              475
_journal_page_last               480
_journal_paper_doi               10.1107/S0567740876003270
_journal_volume                  32
_journal_year                    1976
_chemical_formula_sum            'Ca3 H6 O10 Si2'
_chemical_name_mineral           Afwillite
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 134.898
_cell_angle_gamma                90
_cell_length_a                   16.278
_cell_length_b                   5.6321
_cell_length_c                   13.236
_cell_formula_units_Z            4
_cell_volume                     859.577
_database_code_amcsd             0009551
_exptl_crystal_density_diffrn    2.646
_cod_original_formula_sum        'Ca3 Si2 O10 H6'
_cod_database_code               9007611
Inderite: Crystal structure refinement and relationship to kurnakovite
Corazza, E.; Acta Crystallographica, Section B 32 (1976) 1329–1333; doi:10.1107/S0567740876005293

data_9007612
_publ_section_title
;
 Inderite: Crystal structure refinement and relationship to kurnakovite
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1329
_journal_page_last               1333
_journal_paper_doi               10.1107/S0567740876005293
_journal_volume                  32
_journal_year                    1976
_chemical_formula_sum            'B3 H15 Mg O13'
_chemical_name_mineral           Inderite
_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                 104.552
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.8221
_cell_length_b                   13.1145
_cell_length_c                   12.0350
_cell_volume                     1042.210
_database_code_amcsd             0009554
_exptl_crystal_density_diffrn    1.784
_cod_original_formula_sum        'Mg O13 B3 H15'
_cod_database_code               9007612
Structure cristalline de la brassite, MgHAsO4*4H2O, produit de deshydratation de la roesslerite Locality: synthetic
Protas, J.; Gindt, R.; Acta Crystallographica, Section B 32 (1976) 1460–1466; doi:10.1107/S0567740876005566

data_9007613
_publ_section_title
;Structure cristalline de la brassite, MgHAsO4*4H2O, produit de deshydratation
 de la roesslerite Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1460
_journal_page_last               1466
_journal_paper_doi               10.1107/S0567740876005566
_journal_volume                  32
_journal_year                    1976
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As H9 Mg O8'
_chemical_name_mineral           Brassite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.472
_cell_length_b                   10.891
_cell_length_c                   16.5850
_cell_volume                     1349.647
_database_code_amcsd             0009557
_exptl_crystal_density_diffrn    2.326
_cod_original_formula_sum        'Mg As O8 H9'
_cod_database_code               9007613