LMucko/crystallography-open-database huggingface dataset:
Structure de Na3M3(CO3)5 (M = Terre Rare, Ca Na Sr), rattache a la burbankite
Ginderow, D.; Acta Crystallographica, Section C 45 (1989) 185–187; doi:10.1107/S0108270188009898

data_9011368
_publ_section_title
;Structure de Na3M3(CO3)5 (M = Terre Rare, Ca Na Sr), rattache a la burbankite
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              185
_journal_page_last               187
_journal_paper_doi               10.1107/S0108270188009898
_journal_volume                  45
_journal_year                    1989
_chemical_compound_source        'Nlende, Kribi, Cameroon'
_chemical_formula_sum            'C5 Ca1.16 Ce1.2 Na3.4 O15 Sr0.24'
_chemical_name_mineral           Remondite-(Ce)
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2c'
_symmetry_space_group_name_H-M   'P 1 1 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                119.80
_cell_length_a                   10.412
_cell_length_b                   10.414
_cell_length_c                   6.291
_cell_formula_units_Z            2
_cell_volume                     591.935
_database_code_amcsd             0010074
_exptl_crystal_density_diffrn    3.444
_cod_original_formula_sum        'Na3.4 Ce1.2 Ca1.16 Sr.24 C5 O15'
_cod_database_code               9011368
The structure of (ND4)2Fe(SO4)2*6D2O at 4.3 K by neutron diffraction
Figgis, B. N.; Kucharski, E. S.; Reynolds, P. A.; Tasset, F.; Acta Crystallographica, Section C 45 (1989) 942–944; doi:10.1107/S0108270188013903

data_9011369
_publ_section_title
;
 The structure of (ND4)2Fe(SO4)2*6D2O at 4.3 K by neutron diffraction
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              942
_journal_page_last               944
_journal_paper_doi               10.1107/S0108270188013903
_journal_volume                  45
_journal_year                    1989
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe H20 N2 O14 S2'
_chemical_name_mineral           Mohrite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.71
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.167
_cell_length_b                   12.405
_cell_length_c                   6.305
_cell_volume                     686.707
_database_code_amcsd             0010076
_exptl_crystal_density_diffrn    1.896
_cod_original_formula_sum        'N2 H20 Fe S2 O14'
_cod_database_code               9011369
Structure of Na3M3(CO3)5. Corrigendum
Marsh, R. E.; Acta Crystallographica, Section C 45 (1989) 1840–1840; doi:10.1107/S0108270189005718

data_9011370
_publ_section_title
;
 Structure of Na3M3(CO3)5. Corrigendum
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1840
_journal_page_last               1840
_journal_paper_doi               10.1107/S0108270189005718
_journal_volume                  45
_journal_year                    1989
_chemical_compound_source        'Nlende, Kribi, Cameroon'
_chemical_formula_sum            'C5 Ca1.15 Ce1.22 Na3.4 O15 Sr0.24'
_chemical_name_mineral           Remondite-(Ce)
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.444
_cell_length_b                   18.01799
_cell_length_c                   6.291
_cell_formula_units_Z            4
_cell_volume                     1183.840
_database_code_amcsd             0010081
_exptl_crystal_density_diffrn    3.458
_cod_original_formula_sum        'Na3.4 Ce1.22 Ca1.15 Sr.24 C5 O15'
_cod_database_code               9011370
Structure of a triclinic rubidium ammonium triaqua-u3-oxo-hexa-u-sulfato-triferrate(III) tetrahydrate, Rb2.74(NH4)2.26Fe3O(SO4)6.7H2O
Mereiter, K.; Acta Crystallographica, Section C 46 (1990) 972–976; doi:10.1107/S010827018901019X

data_9011371
_publ_section_title
;
 Structure of a triclinic rubidium ammonium
 triaqua-u3-oxo-hexa-u-sulfato-triferrate(III)
 tetrahydrate, Rb2.74(NH4)2.26Fe3O(SO4)6.7H2O
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              972
_journal_page_last               976
_journal_paper_doi               10.1107/S010827018901019X
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     Rb2.74(NH4)2.26Fe3O(SO4)6.7H2O
_chemical_formula_sum            'Fe3 H14 N2.26 O32 Rb2.74 S6'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                95.30
_cell_angle_beta                 93.19
_cell_angle_gamma                118.12
_cell_formula_units_Z            2
_cell_length_a                   9.783
_cell_length_b                   9.586
_cell_length_c                   18.389
_cell_volume                     1504.767
_exptl_crystal_density_diffrn    2.542
_cod_original_formula_sum        '(Rb2.74 N2.26) Fe3 S6 O32 H14'
_cod_database_code               9011371
_cod_duplicate_entry 9007781
Structure du sulfure de fer et d'antimoine, FeSb2S4 (Berthierite)
Lemoine, P.; Carre, D.; Robert, F.; Acta Crystallographica, Section C 47 (1991) 938–940; doi:10.1107/S0108270190012124

data_9011372
_publ_section_title
;
 Structure du sulfure de fer et d'antimoine, FeSb2S4 (Berthierite)
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              938
_journal_page_last               940
_journal_paper_doi               10.1107/S0108270190012124
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'Fe S4 Sb2'
_chemical_name_mineral           Berthierite
_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                   11.401
_cell_length_b                   14.148
_cell_length_c                   3.758
_cell_formula_units_Z            4
_cell_volume                     606.170
_database_code_amcsd             0010254
_exptl_crystal_density_diffrn    4.686
_cod_original_formula_sum        'Fe Sb2 S4'
_cod_database_code               9011372
Structure of a new natural tungstate arsenate, [Ca2Y(AsO4)(WO4)2], structurally related to scheelite Locality: Alpine fissures, Pizzo Cervandone area, Ossola Valley, Italy Note: anisoU's from ICSD
Demartin, F.; Gramaccioli, C. M.; Pilati, T.; Acta Crystallographica, Section C 48 (1992) 1357–1359; doi:10.1107/S0108270192003688

data_9011373
_publ_section_title
;Structure of a new natural tungstate arsenate, [Ca2Y(AsO4)(WO4)2],
 structurally related to scheelite Locality: Alpine fissures, Pizzo Cervandone
 area, Ossola Valley, Italy Note: anisoU's from ICSD
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1357
_journal_page_last               1359
_journal_paper_doi               10.1107/S0108270192003688
_journal_volume                  48
_journal_year                    1992
_chemical_compound_source
'Alpine fissures, Pizzo Cervandone area, Ossola Valley, Italy'
_chemical_formula_sum            'As Ca2 O12 W2 Y'
_chemical_name_mineral           Paraniite-(Y)
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.135
_cell_length_b                   5.135
_cell_length_c                   33.8820
_cell_formula_units_Z            4
_cell_volume                     893.408
_database_code_amcsd             0010274
_exptl_crystal_density_diffrn    5.975
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_original_formula_sum        'Ca2 Y As W2 O12'
_cod_database_code               9011373
Structure of wadalite Ca6Al5Si2O16Cl3 Note: the values for the anisoU's are from ICSD
Tsukimura, K.; Kanazawa, Y.; Aoki, M.; Bunno, M.; Acta Crystallographica, Section C 49 (1993) 205–207; doi:10.1107/S0108270192005481

data_9011374
_publ_section_title
;
 Structure of wadalite Ca6Al5Si2O16Cl3
 Note: the values for the anisoU's are from ICSD
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              205
_journal_page_last               207
_journal_paper_doi               10.1107/S0108270192005481
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum
'Al4.44 Ca5.76 Cl2.76 Fe0.48 Mg0.24 O16 Si2.08'
_chemical_name_mineral           Wadalite
_space_group_IT_number           220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.001
_cell_length_b                   12.001
_cell_length_c                   12.001
_cell_formula_units_Z            4
_cell_volume                     1728.432
_database_code_amcsd             0010280
_exptl_crystal_density_diffrn    3.057
_cod_original_formula_sum
'(Ca5.76 Mg.24) Al4.44 Si2.08 Fe.48 O16 Cl2.76'
_cod_database_code               9011374
Structure of MoAs2O7: corrigendum and addendum Note: AnisoU's from ICSD
Hums, E.; Burzlaff, H.; Rothammel, W.; Acta Crystallographica, Section C 49 (1993) 641–642; doi:10.1107/S0108270192008096

data_9011375
_publ_section_title
;
 Structure of MoAs2O7: corrigendum and addendum
 Note: AnisoU's from ICSD
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              641
_journal_page_last               642
_journal_paper_doi               10.1107/S0108270192008096
_journal_volume                  49
_journal_year                    1993
_chemical_formula_structural     MoAs2O7
_chemical_formula_sum            'As2 Mo O7'
_space_group_IT_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                 100.07
_cell_angle_gamma                90
_cell_length_a                   16.14
_cell_length_b                   4.550
_cell_length_c                   7.788
_cell_formula_units_Z            4
_cell_volume                     563.117
_exptl_crystal_density_diffrn    4.220
_cod_original_formula_sum        'Mo As2 O7'
_cod_database_code               9011375
_cod_duplicate_entry 2001930
Structure of alpha-dicalcium silicate hydrate Note: Structure revised in Marsh (1994)
Yano, T.; Urabe, K.; Ikawa, H.; Teraushi, T.; Ishizawa, N.; Udagawa, S.; Acta Crystallographica, Section C 49 (1993) 1555–1559; doi:10.1107/S0108270193004767

data_9011376
_publ_section_title
;
 Structure of alpha-dicalcium silicate hydrate
 Note: Structure revised in Marsh (1994)
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1555
_journal_page_last               1559
_journal_paper_doi               10.1107/S0108270193004767
_journal_volume                  49
_journal_year                    1993
_chemical_formula_structural     Ca2SiO3OHOH
_chemical_formula_sum            'Ca2 O5 Si'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.487
_cell_length_b                   9.179
_cell_length_c                   10.666
_cell_formula_units_Z            8
_cell_volume                     928.808
_exptl_crystal_density_diffrn    2.692
_cod_original_formula_sum        'Ca2 Si O5'
_cod_database_code               9011376
_cod_duplicate_entry 2001355
Refinement of the structure of hilgardite-1A Locality: Penobsquis potash deposit, Sussex, New Brunswick
Burns, P. C.; Hawthorne, F. C.; Acta Crystallographica, Section C 50 (1994) 653–655; doi:10.1107/S0108270193010182

data_9011377
_publ_section_title
;
 Refinement of the structure of hilgardite-1A
 Locality: Penobsquis potash deposit, Sussex, New Brunswick
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              653
_journal_page_last               655
_journal_paper_doi               10.1107/S0108270193010182
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'B5 Ca2 Cl H2 O10'
_chemical_formula_weight         331.67
_chemical_name_mineral           Hilgardite-1A
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                61.60
_cell_angle_beta                 118.72
_cell_angle_gamma                105.86
_cell_formula_units_Z            1
_cell_length_a                   6.452
_cell_length_b                   6.559
_cell_length_c                   6.286
_cell_volume                     204.867
_exptl_crystal_density_diffrn    2.688
_cod_original_formula_sum        'Ca2 B5 O10 Cl H2'
_cod_database_code               9011377
_database_code_amcsd 0010290
A revised structure for alpha-dicalcium silicate hydrate
Marsh, R. E.; Acta Crystallographica, Section C 50 (1994) 996–997; doi:10.1107/S0108270194001721

data_9011378
_publ_section_title
;
 A revised structure for alpha-dicalcium silicate hydrate
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              996
_journal_page_last               997
_journal_paper_doi               10.1107/S0108270194001721
_journal_volume                  50
_journal_year                    1994
_chemical_compound_source        'synthetic Ca2SiO3OHOH'
_chemical_formula_sum            'Ca2 H2 O5 Si'
_chemical_name_mineral           Poldervaartite
_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_length_a                   9.487
_cell_length_b                   9.179
_cell_length_c                   10.666
_cell_formula_units_Z            8
_cell_volume                     928.808
_database_code_amcsd             0010292
_exptl_crystal_density_diffrn    2.721
_cod_original_formula_sum        'Ca2 Si O5 H2'
_cod_database_code               9011378
Single-crystal pulsed neutron diffraction structure of the antiferromagnet K2[FeCl5(H2O)] with and without applied pressure Sample: P = .1 MPa Sample: T = 15 K
Schultz, A. J.; Carlin, R. L.; Acta Crystallographica, Section B 51 (1995) 43–47; doi:10.1107/S0108768194008438

data_9011379
_publ_section_title
;
 Single-crystal pulsed neutron diffraction structure of the antiferromagnet
 K2[FeCl5(H2O)] with and without applied pressure
 Sample: P = .1 MPa
 Sample: T = 15 K
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              43
_journal_page_last               47
_journal_paper_doi               10.1107/S0108768194008438
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cl5 Fe H2 K2 O'
_chemical_name_mineral           Erythrosiderite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.452
_cell_length_b                   9.631
_cell_length_c                   7.003
_cell_formula_units_Z            4
_cell_volume                     907.282
_database_code_amcsd             0010299
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      15
_exptl_crystal_density_diffrn    2.411
_cod_original_formula_sum        'K2 Fe Cl5 O H2'
_cod_database_code               9011379
Single-crystal pulsed neutron diffraction structure of the antiferromagnet K2[FeCl5(H2O)] with and without applied pressure Sample: P = .14 GPa Sample: T = 15 K
Schultz, A. J.; Carlin, R. L.; Acta Crystallographica, Section B 51 (1995) 43–47; doi:10.1107/S0108768194008438

data_9011380
_publ_section_title
;
 Single-crystal pulsed neutron diffraction structure of the antiferromagnet
 K2[FeCl5(H2O)] with and without applied pressure
 Sample: P = .14 GPa
 Sample: T = 15 K
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              43
_journal_page_last               47
_journal_paper_doi               10.1107/S0108768194008438
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cl5 Fe H2 K2 O'
_chemical_name_mineral           Erythrosiderite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.391
_cell_length_b                   9.648
_cell_length_c                   6.942
_cell_formula_units_Z            4
_cell_volume                     896.881
_database_code_amcsd             0010300
_diffrn_ambient_pressure         1.4e+05
_diffrn_ambient_temperature      15
_exptl_crystal_density_diffrn    2.439
_cod_original_formula_sum        'K2 Fe Cl5 O H2'
_cod_database_code               9011380
Low-temperature form of LiGaSi2O6 Sample: T = 273 K Note: anisoU's from ICSD
Sato, A.; Osawa, T.; Ohashi, H.; Acta Crystallographica, Section C 51 (1995) 1959–1960; doi:10.1107/S0108270195004732

data_9011381
_publ_section_title
;
 Low-temperature form of LiGaSi2O6
 Sample: T = 273 K
 Note: anisoU's from ICSD
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1959
_journal_page_last               1960
_journal_paper_doi               10.1107/S0108270195004732
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        Synthetic
_chemical_formula_structural     LiGaSi2O6
_chemical_formula_sum            'Ga Li O6 Si2'
_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                 110.124
_cell_angle_gamma                90
_cell_length_a                   9.5394
_cell_length_b                   8.5756
_cell_length_c                   5.2508
_cell_formula_units_Z            4
_cell_volume                     403.324
_database_code_amcsd             0010302
_diffrn_ambient_temperature      273
_exptl_crystal_density_diffrn    3.769
_cod_original_formula_sum        'Li Ga Si2 O6'
_cod_database_code               9011381
_amcsd_formula_title             LiGaSi2O6
Monoclinic Mg2B2O5 Locality: synthetic
Guo, G.-C.; Cheng, W.-D.; Chen, J.-T.; Zhuang, H.-H.; Huang, J.-S.; Zhang, Q.-E.; Acta Crystallographica, Section C 51 (1995) 2469–2471; doi:10.1107/S0108270195008298

data_9011382
_publ_section_title
;
 Monoclinic Mg2B2O5
 Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2469
_journal_page_last               2471
_journal_paper_doi               10.1107/S0108270195008298
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'B2 Mg2 O5'
_chemical_name_mineral           Suanite
_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                 104.26
_cell_angle_gamma                90
_cell_length_a                   9.197
_cell_length_b                   3.1228
_cell_length_c                   12.303
_cell_formula_units_Z            4
_cell_volume                     342.460
_exptl_crystal_density_diffrn    2.914
_cod_original_formula_sum        'Mg2 B2 O5'
_cod_database_code               9011382
_cod_duplicate_entry 2004240
Low-density form of NaGaSi2O6 Note: anisoU's from ICSD
Ohashi, H.; Osawa, T.; Sato, A.; Acta Crystallographica, Section C 51 (1995) 2476–2477; doi:10.1107/S010827019500775X

data_9011383
_publ_section_title
;
 Low-density form of NaGaSi2O6
 Note: anisoU's from ICSD
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2476
_journal_page_last               2477
_journal_paper_doi               10.1107/S010827019500775X
_journal_volume                  51
_journal_year                    1995
_chemical_formula_structural     NaGaSi2O6
_chemical_formula_sum            'Ga Na O6 Si2'
_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                 107.637
_cell_angle_gamma                90
_cell_length_a                   9.5573
_cell_length_b                   8.7019
_cell_length_c                   5.2705
_cell_formula_units_Z            4
_cell_volume                     417.726
_exptl_crystal_density_diffrn    3.894
_cod_original_formula_sum        'Na Ga Si2 O6'
_cod_database_code               9011383
_cod_duplicate_entry 2004306
Tin(II) oxyhydroxide by X-ray powder diffraction Locality: synthetic
Abrahams, I.; Grimes, S. M.; Johnston, S. R.; Knowles, J. C.; Acta Crystallographica, Section C 52 (1996) 286–288; doi:10.1107/S0108270195012625

data_9011384
_publ_section_title
;
 Tin(II) oxyhydroxide by X-ray powder diffraction
 Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              286
_journal_page_last               288
_journal_paper_doi               10.1107/S0108270195012625
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'H2 O4 Sn3'
_chemical_name_mineral           Hydroromarchite
_space_group_IT_number           114
_symmetry_space_group_name_Hall  'P -4 2n'
_symmetry_space_group_name_H-M   'P -4 21 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.9268
_cell_length_b                   7.9268
_cell_length_c                   9.1025
_cell_volume                     571.948
_exptl_crystal_density_diffrn    4.902
_cod_original_formula_sum        'Sn3 O4 H2'
_cod_database_code               9011384