LMucko/crystallography-open-database huggingface dataset:
Crystal-structure of weeksite
Baturin, S. V.; Doklady Akademii Nauk SSSR 282 (1985) 1132–1136; doi:

data_9014212
_publ_section_title
;
 Crystal-structure of weeksite
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              1132
_journal_page_last               1136
_journal_volume                  282
_journal_year                    1985
_chemical_formula_sum            'H3 K0.62 Na0.38 O10 Si2.5 U'
_chemical_name_mineral           Weeksite
_space_group_IT_number           65
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.092
_cell_length_b                   17.888
_cell_length_c                   7.113
_cell_volume                     902.367
_database_code_amcsd             0018510
_exptl_crystal_density_diffrn    3.712
_cod_original_formula_sum        'U Si2.5 O10 K.62 Na.38 H3'
_cod_database_code               9014212
Structure cristalline du trimetaphosphate de plomb trihydrate, Pb3(P3O9)2(H2O)3
Brunel-Lauegt M; Tordjman, I.; Durif, A.; Acta Crystallographica, Section B 32 (1976) 3246–3249; doi:10.1107/S0567740876010030

data_9014213
_publ_section_title
;
 Structure cristalline du trimetaphosphate de plomb trihydrate, Pb3(P3O9)2(H2O)3
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              3246
_journal_page_last               3249
_journal_paper_doi               10.1107/S0567740876010030
_journal_volume                  32
_journal_year                    1976
_chemical_formula_sum            'O7 P2 Pb'
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.957
_cell_length_b                   11.957
_cell_length_c                   12.270
_cell_formula_units_Z            12
_cell_volume                     1754.240
_database_code_amcsd             0015932
_exptl_crystal_density_diffrn    4.329
_cod_duplicate_entry             1007250
_cod_original_formula_sum        'Pb P2 O7'
_cod_database_code               9014213
_amcsd_formula_title             Pb3(P3O9)2(H2O)3
Crystal and molecular structure of hydrogen peroxide. A neutron-diffraction study _cod_database_code 1008189
Busing, W.; Levy, A.; Journal of Chemical Physics 42 (1965) 3054–3059; doi:10.1063/1.1696379

data_9014214
_publ_section_title
;
 Crystal and molecular structure of hydrogen peroxide.
 A neutron-diffraction study
 _cod_database_code 1008189
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              3054
_journal_page_last               3059
_journal_paper_doi               10.1063/1.1696379
_journal_volume                  42
_journal_year                    1965
_chemical_formula_sum            'H O'
_chemical_name_mineral           'Hydrogen peroxide'
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.06
_cell_length_b                   4.06
_cell_length_c                   8.00
_cell_formula_units_Z            8
_cell_volume                     131.869
_database_code_amcsd             0016126
_exptl_crystal_density_diffrn    1.713
_cod_database_code               9014214
_cod_duplicate_entry 1008189
Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T1
Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F.; American Mineralogist 89 (2004) 447–454; doi:

data_9014215
_publ_section_title
;
 Structural and chemical response to varying B content in zoned Fe-bearing olenite
 from Koralpe, Austria
 Sample: T1
;
_journal_name_full               'American Mineralogist'
_journal_page_first              447
_journal_page_last               454
_journal_volume                  89
_journal_year                    2004
_chemical_compound_source        'Koralpe, Austria'
_chemical_formula_sum
'Al8.697 B3.618 Be0.036 Ca0.29 Fe0.084 H3.41 K0.002 Li0.366 Mg0.006 Mn0.009 Na0.408 O31 Si4.992 Ti0.006'
_chemical_name_mineral           Olenite
_space_group_IT_number           160
_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_formula_units_Z            3
_cell_length_a                   15.7537
_cell_length_b                   15.7537
_cell_length_c                   7.0707
_cell_volume                     1519.701
_database_code_amcsd             0003445
_exptl_crystal_density_diffrn    3.091
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Na.408 Ca.29 K.002 Al8.697 Li.366 Fe.084 Mn.009 Mg.006 Ti.006 Si4.992 B3.618 Be.036 O31 H3.41'
_cod_database_code               9014215
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 662 C Note: P = 101 kPa
Antao, S. M.; Hassan, I.; The Canadian Mineralogist 48 (2010) 1225–1236; doi:10.3749/canmin.48.5.1225

data_9014216
_publ_section_title
;
 Temperature dependence of the structural parameters
 in the transformation of aragonite to calcite,
 as determined from in situ synchrotron powder X-ray-diffraction data
 Note: T = 662 C
 Note: P = 101 kPa
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1225
_journal_page_last               1236
_journal_paper_doi               10.3749/canmin.48.5.1225
_journal_volume                  48
_journal_year                    2010
_chemical_compound_source        'Cuenca, Spain'
_chemical_formula_sum            'C Ca O3'
_chemical_name_mineral           Calcite
_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                   4.9759
_cell_length_b                   4.9759
_cell_length_c                   17.4316
_cell_formula_units_Z            6
_cell_volume                     373.776
_database_code_amcsd             0017867
_exptl_crystal_density_diffrn    2.668
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Ca C O3'
_cod_database_code               9014216
Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite under isothermal conditions Sample: SA1_9
Zema, M.; Ventruti, G.; Lacalamita, M.; Scordari, F.; American Mineralogist 95 (2010) 1458–1466; doi:10.2138/am.2010.3523

data_9014217
_publ_section_title
;
 Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite
 under isothermal conditions
 Sample: SA1_9
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1458
_journal_page_last               1466
_journal_paper_doi               10.2138/am.2010.3523
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source        'Mt. Vulture, Potenza, Italy'
_chemical_formula_sum
'Al1.37 Ba0.05 F0.16 Fe0.776 H1.34 K0.85 Mg2.224 Na0.07 O11.84 Si2.63'
_chemical_name_mineral           Phlogopite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.023
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.3379
_cell_length_b                   9.2414
_cell_length_c                   10.2311
_cell_volume                     496.994
_database_code_amcsd             0017712
_exptl_crystal_density_diffrn    2.965
_cod_original_formula_sum
'K.85 Na.07 Ba.05 (Mg2.224 Fe.776) (Si2.63 Al1.37) O11.84 F.16 H1.34'
_cod_database_code               9014217
Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2
Furuseth, S.; Selte, K.; Kjekshus, A.; Acta Chemica Scandinavica 19 (1965) 735–741; doi:10.3891/acta.chem.scand.19-0735

data_9014218
_publ_section_title
;
 Redetermined crystal structures of PdAs2, PdSb2,
 PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              735
_journal_page_last               741
_journal_paper_doi               10.3891/acta.chem.scand.19-0735
_journal_volume                  19
_journal_year                    1965
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As2 Pd'
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.9855
_cell_length_b                   5.9855
_cell_length_c                   5.9855
_cell_formula_units_Z            4
_cell_volume                     214.438
_database_code_amcsd             0017783
_exptl_crystal_density_diffrn    7.938
_cod_original_sg_symbol_H-M      'P a 3'
_cod_original_formula_sum        'Pd As2'
_cod_database_code               9014218
_amcsd_formula_title             PdAs2
The single-crystal X-ray structures of bariopharmacosiderite-C, bariopharmacosiderite-Q and natropharmacosiderite Note: sample Bariopharmacosiderite-Q
Hager, S. L.; Leverett, P.; Williams, P. A.; Mills, S. J.; Hibbs, D. E.; Raudsepp, M.; Kampf, A. R.; Birch, W. D.; The Canadian Mineralogist 48 (2010) 1477–1485; doi:10.3749/canmin.48.5.1477

data_9014219
_publ_section_title
;
 The single-crystal X-ray structures of bariopharmacosiderite-C,
 bariopharmacosiderite-Q and natropharmacosiderite
 Note: sample Bariopharmacosiderite-Q
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1477
_journal_page_last               1485
_journal_paper_doi               10.3749/canmin.48.5.1477
_journal_volume                  48
_journal_year                    2010
_chemical_compound_source
'Sunny Corner mine, Sunny Corner, New South Wales, Australia'
_chemical_formula_sum            'As3 Ba0.5 Fe4 H16.32 O22.16'
_chemical_name_mineral           Bariopharmacosiderite
_space_group_IT_number           111
_symmetry_space_group_name_Hall  'P -4 2'
_symmetry_space_group_name_H-M   'P -4 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   7.947
_cell_length_b                   7.947
_cell_length_c                   8.049
_cell_volume                     508.333
_database_code_amcsd             0019789
_exptl_crystal_density_diffrn    2.900
_cod_original_formula_sum        'Ba.5 Fe4 O22.16 As3 H16.32'
_cod_database_code               9014219
Veatchite: structural relationships of the three polytypes Note: moderate-T, high-P polytype veatchite-2M
Grice, J. D.; Pring, A.; American Mineralogist 97 (2012) 489–495; doi:10.2138/am.2012.3889

data_9014220
_publ_section_title
;
 Veatchite: structural relationships of the three polytypes
 Note: moderate-T, high-P polytype veatchite-2M
;
_journal_name_full               'American Mineralogist'
_journal_page_first              489
_journal_page_last               495
_journal_paper_doi               10.2138/am.2012.3889
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source
'Penobsquis deposit, Sussex, New Brunswick, Canada'
_chemical_formula_sum            'B11 Ca0.62 H7 O22 Sr1.38'
_chemical_name_mineral           Veatchite
_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                 91.998
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.6070
_cell_length_b                   11.7125
_cell_length_c                   20.6848
_cell_volume                     1599.710
_database_code_amcsd             0018912
_exptl_crystal_density_diffrn    2.590
_cod_original_cell_volume        1599.709
_cod_original_formula_sum        '(Sr1.38 Ca.62) B11 O22 H7'
_cod_database_code               9014220
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L28, ordered model
Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.; The Canadian Mineralogist 49 (2011) 63–88; doi:10.3749/canmin.49.1.63

data_9014221
_publ_section_title
;
 Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar.
 I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy
 Sample: L28, ordered model
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              63
_journal_page_last               88
_journal_paper_doi               10.3749/canmin.49.1.63
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source        'Anjanabonoina, central Madagascar'
_chemical_formula_sum
'Al7.203 B3 Ca0.63 F0.691 Fe0.123 H3.309 Li1.524 Mg0.069 Mn0.069 Na0.338 O30.309 Pb0.007 Si6 Ti0.012'
_chemical_name_mineral           Fluor-liddicoatite
_space_group_IT_number           160
_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                   15.8404
_cell_length_b                   15.8404
_cell_length_c                   7.1039
_cell_formula_units_Z            3
_cell_volume                     1543.689
_database_code_amcsd             0018450
_exptl_crystal_density_diffrn    3.081
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Ca.63 Na.338 Pb.007 Ti.012 Al7.203 Fe.123 Mg.069 Mn.069 Li1.524 Si6 B3 F.691 O30.309 H3.309'
_cod_database_code               9014221
Les composes Co Np F6 (H2 O)3 et Co U F6 (H2 O)3. Etude structurale, mesur des susceptibilites magnetiques et resonance Moessbauer (237 Np) _cod_database_code 1001329
Abazli, H.; Cousson, A.; Jove, J.; Pages, M.; Gasperin, M.; Journal of the Less-Common Metals 96 (1984) 23–33; doi:10.1016/0022-5088(84)90176-0

data_9014222
_publ_section_title
;
 Les composes Co Np F6 (H2 O)3 et Co U F6 (H2 O)3. Etude
 structurale, mesur des susceptibilites magnetiques et resonance
 Moessbauer (237 Np)
 _cod_database_code 1001329
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              23
_journal_page_last               33
_journal_paper_doi               10.1016/0022-5088(84)90176-0
_journal_volume                  96
_journal_year                    1984
_chemical_formula_sum            'Co F6 Np O3'
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.84
_cell_angle_gamma                90
_cell_length_a                   12.119
_cell_length_b                   6.908
_cell_length_c                   7.928
_cell_formula_units_Z            4
_cell_volume                     662.902
_database_code_amcsd             0014149
_exptl_crystal_density_diffrn    4.588
_cod_original_formula_sum        'Np Co F6 O3'
_cod_database_code               9014222
_amcsd_formula_title             'Co F6 H6 Np O3'
Four monazite type structures: comparison of SrCrO4, SrSeO4, PbCrO4 (crocoite), and PbSeO4
Effenberger, H.; Pertlik, F.; Zeitschrift für Kristallographie 176 (1986) 75–83; doi:10.1524/zkri.1986.176.12.75

data_9014223
_publ_section_title
;
 Four monazite type structures: comparison of SrCrO4, SrSeO4,
 PbCrO4 (crocoite), and PbSeO4
;
_journal_coden_ASTM              ZEKRDZ
_journal_name_full               'Zeitschrift f\"ur Kristallographie'
_journal_page_first              75
_journal_page_last               83
_journal_paper_doi               10.1524/zkri.1986.176.12.75
_journal_volume                  176
_journal_year                    1986
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O4 Pb Se'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.14
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.154
_cell_length_b                   7.407
_cell_length_c                   6.954
_cell_volume                     358.842
_exptl_crystal_density_diffrn    6.481
_cod_original_formula_sum        'Pb Se O4'
_cod_database_code               9014223
X-ray diffraction study of the atomic structure of stillwellite CeBO[SiO4]
Voronkov, A. A.; Pyatenko, Y. A.; Soviet Physics Crystallography 12 (1967) 214–220; doi:

data_9014224
_publ_section_title
;
 X-ray diffraction study of the atomic structure of stillwellite CeBO[SiO4]
;
_journal_name_full               'Soviet Physics Crystallography'
_journal_page_first              214
_journal_page_last               220
_journal_volume                  12
_journal_year                    1967
_chemical_compound_source        Soviet
_chemical_formula_sum            'B Ce O5 Si'
_chemical_name_mineral           Stillwellite-(Ce)
_space_group_IT_number           144
_symmetry_space_group_name_Hall  'P 31'
_symmetry_space_group_name_H-M   'P 31'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   6.85
_cell_length_b                   6.85
_cell_length_c                   6.70
_cell_formula_units_Z            3
_cell_volume                     272.262
_database_code_amcsd             0018733
_exptl_crystal_density_diffrn    4.739
_cod_original_formula_sum        'Ce B Si O5'
_cod_database_code               9014224
Neutron and X-ray diffraction studies on tapiolite and some synthetic substances of trirutile structure Note: Crystal A and B combined
von Heidenstam, O.; Arkiv for Kemi 28 (1968) 375–387; doi:

data_9014225
_publ_section_title
;
 Neutron and X-ray diffraction studies on tapiolite and
 some synthetic substances of trirutile structure
 Note: Crystal A and B combined
;
_journal_name_full               'Arkiv for Kemi'
_journal_page_first              375
_journal_page_last               387
_journal_volume                  28
_journal_year                    1968
_chemical_formula_sum            'Fe Nb0.2 O6 Ta1.8'
_chemical_name_mineral           Tapiolite-(Fe)
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7515
_cell_length_b                   4.7515
_cell_length_c                   9.254
_cell_formula_units_Z            2
_cell_volume                     208.925
_database_code_amcsd             0017875
_exptl_crystal_density_diffrn    7.887
_cod_original_formula_sum        'Fe (Nb.2 Ta1.8) O6'
_cod_database_code               9014225
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 3069 min
Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.; European Journal of Mineralogy 24 (2012) 633–643; doi:10.1127/0935-1221/2012/0024-2223

data_9014226
_publ_section_title
;
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C
 Annealing time = 3069 min
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              633
_journal_page_last               643
_journal_paper_doi               10.1127/0935-1221/2012/0024-2223
_journal_volume                  24
_journal_year                    2012
_chemical_formula_sum            'Al1.461 Fe0.538 Mg1.001 O4'
_chemical_name_mineral           Spinel
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.1710
_cell_length_b                   8.1710
_cell_length_c                   8.1710
_cell_formula_units_Z            8
_cell_volume                     545.539
_database_code_amcsd             0019333
_exptl_crystal_density_diffrn    3.842
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Al1.461 Mg1.001 Fe.538) O4'
_cod_database_code               9014226
Veatchite: structural relationships of the three polytypes Note: low-T, low-P polytype veatchite-1A
Grice, J. D.; Pring, A.; American Mineralogist 97 (2012) 489–495; doi:10.2138/am.2012.3889

data_9014227
_publ_section_title
;
 Veatchite: structural relationships of the three polytypes
 Note: low-T, low-P polytype veatchite-1A
;
_journal_name_full               'American Mineralogist'
_journal_page_first              489
_journal_page_last               495
_journal_paper_doi               10.2138/am.2012.3889
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'Emet deposit, Kutahya, Turkey'
_chemical_formula_sum            'B11 Ca0.087 H7 O22 Sr1.913'
_chemical_name_mineral           Veatchite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                87.860
_cell_angle_beta                 82.6960
_cell_angle_gamma                60.476
_cell_formula_units_Z            2
_cell_length_a                   6.6378
_cell_length_b                   6.7387
_cell_length_c                   20.982
_cell_volume                     809.684
_database_code_amcsd             0018910
_exptl_crystal_density_diffrn    2.662
_cod_original_formula_sum        '(Sr1.913 Ca.087) B11 O22 H7'
_cod_database_code               9014227
Crystal chemistry and low-temperature behavior of datolite: a single-crystal X-ray diffraction study Note: T = 220 K
Rinaldi, R.; Gatta, G. D.; Angel, R. J.; American Mineralogist 95 (2010) 1413–1421; doi:10.2138/am.2010.3536

data_9014228
_publ_section_title
;
 Crystal chemistry and low-temperature behavior of datolite:
 a single-crystal X-ray diffraction study
 Note: T = 220 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1413
_journal_page_last               1421
_journal_paper_doi               10.2138/am.2010.3536
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source        'Valmozzola, Parma, Italy'
_chemical_formula_sum            'B Ca H O5 Si'
_chemical_name_mineral           Datolite
_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                 90.184
_cell_angle_gamma                90
_cell_length_a                   4.8325
_cell_length_b                   7.6041
_cell_length_c                   9.6300
_cell_formula_units_Z            4
_cell_volume                     353.870
_database_code_amcsd             0017707
_exptl_crystal_density_diffrn    3.003
_cod_original_formula_sum        'Ca B Si O5 H'
_cod_database_code               9014228