LMucko/crystallography-open-database huggingface dataset:
Space group and hydrogen sites of delta-AlOOH and implications for a hypothetical high-pressure form of Mg(OH)2
Kudoh, Y.; Kuribayashi, T.; Suzuki, A.; Ohtani, E.; Kamada, T.; Physics and Chemistry of Minerals 31 (2004) 360–364; doi:

data_9007274
_publ_section_title
;
 Space group and hydrogen sites of delta-AlOOH and implications
 for a hypothetical high-pressure form of Mg(OH)2
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              360
_journal_page_last               364
_journal_volume                  31
_journal_year                    2004
_chemical_formula_sum            'Al0.84 H Mg0.07 O2 Si0.09'
_chemical_name_mineral           delta-AlOOH
_space_group_IT_number           34
_symmetry_space_group_name_Hall  'P 2 -2n'
_symmetry_space_group_name_H-M   'P n n 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.6975
_cell_length_b                   4.2060
_cell_length_c                   2.8327
_cell_formula_units_Z            2
_cell_volume                     55.968
_database_code_amcsd             0008865
_exptl_crystal_density_diffrn    3.554
_cod_original_formula_sum        '(Al.84 Si.09 Mg.07) O2 H'
_cod_database_code               9007274
_amcsd_formula_title             delta-AlOOH
Synthesis, crystal structure and crystal chemistry of ferri-clinoholmquistite, _Li2Mg3Fe3+2Si8O22(OH)2 Sample: 152
Iezzi, G.; Camara, F.; Della Ventura, G.; Oberti, R.; Pedrazzi, G.; Robert, J.-L.; Physics and Chemistry of Minerals 31 (2004) 375–385; doi:

data_9007275
_publ_section_title
;Synthesis, crystal structure and crystal chemistry of
 ferri-clinoholmquistite, _Li2Mg3Fe3+2Si8O22(OH)2 Sample: 152
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              375
_journal_page_last               385
_journal_volume                  31
_journal_year                    2004
_chemical_formula_sum            'Fe2.09 H2 Li1.46 Mg3.65 O24 Si8'
_chemical_name_mineral           Ferri-clinoholmquistite
_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                 101.84
_cell_angle_gamma                90
_cell_length_a                   9.466
_cell_length_b                   17.970
_cell_length_c                   5.288
_cell_formula_units_Z            2
_cell_volume                     880.372
_database_code_amcsd             0008866
_exptl_crystal_density_diffrn    3.117
_cod_original_formula_sum        'Li1.46 Mg3.65 Fe2.09 Si8 O24 H2'
_cod_database_code               9007275
Pressure-induced migration of zeolitic water in laumontite Sample: Pleasant Valley, Connecticut, NMNH R4159; P = ambient
Lee, Y.; Hriljac, J. A.; Vogt, T.; Physics and Chemistry of Minerals 31 (2004) 421–428; doi:

data_9007276
_publ_section_title
;
 Pressure-induced migration of zeolitic water in laumontite
 Sample: Pleasant Valley, Connecticut, NMNH R4159; P = ambient
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              421
_journal_page_last               428
_journal_volume                  31
_journal_year                    2004
_chemical_formula_sum            'Al2 Ca H10 O15.02 Si4'
_chemical_name_mineral           Laumontite
_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                 111.997
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.7514
_cell_length_b                   13.0827
_cell_length_c                   7.5648
_cell_volume                     1353.640
_database_code_amcsd             0008867
_exptl_crystal_density_diffrn    2.241
_cod_original_formula_sum        'Ca Al2 Si4 O15.02 H10'
_cod_database_code               9007276
Pressure-induced migration of zeolitic water in laumontite Sample: Pleasant Valley, Connecticut, NMNH R4159; P = 0.2 GPa
Lee, Y.; Hriljac, J. A.; Vogt, T.; Physics and Chemistry of Minerals 31 (2004) 421–428; doi:

data_9007277
_publ_section_title
;
 Pressure-induced migration of zeolitic water in laumontite
 Sample: Pleasant Valley, Connecticut, NMNH R4159; P = 0.2 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              421
_journal_page_last               428
_journal_volume                  31
_journal_year                    2004
_chemical_formula_sum            'Al4 Ca2 H22 O33 Si8'
_chemical_name_mineral           Laumontite
_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                 110.181
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.8831
_cell_length_b                   13.1820
_cell_length_c                   7.5387
_cell_volume                     1388.210
_database_code_amcsd             0008868
_diffrn_ambient_pressure         2e+05
_exptl_crystal_density_diffrn    2.304
_cod_original_formula_sum        'Ca2 Al4 Si8 O33 H22'
_cod_database_code               9007277
Pressure-induced migration of zeolitic water in laumontite Sample: Pleasant Valley, Connecticut, NMNH R4159; P = 0.3 GPa
Lee, Y.; Hriljac, J. A.; Vogt, T.; Physics and Chemistry of Minerals 31 (2004) 421–428; doi:

data_9007278
_publ_section_title
;
 Pressure-induced migration of zeolitic water in laumontite
 Sample: Pleasant Valley, Connecticut, NMNH R4159; P = 0.3 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              421
_journal_page_last               428
_journal_volume                  31
_journal_year                    2004
_chemical_formula_sum            'Al4 Ca2 H22 O33 Si8'
_chemical_name_mineral           Laumontite
_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                 110.008
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.8913
_cell_length_b                   13.1661
_cell_length_c                   7.5284
_cell_volume                     1386.935
_database_code_amcsd             0008869
_diffrn_ambient_pressure         3e+05
_exptl_crystal_density_diffrn    2.306
_cod_original_formula_sum        'Ca2 Al4 Si8 O33 H22'
_cod_database_code               9007278
Pressure-induced migration of zeolitic water in laumontite Sample: Pleasant Valley, Connecticut, NMNH R4159; P = 0.6 GPa
Lee, Y.; Hriljac, J. A.; Vogt, T.; Physics and Chemistry of Minerals 31 (2004) 421–428; doi:

data_9007279
_publ_section_title
;
 Pressure-induced migration of zeolitic water in laumontite
 Sample: Pleasant Valley, Connecticut, NMNH R4159; P = 0.6 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              421
_journal_page_last               428
_journal_volume                  31
_journal_year                    2004
_chemical_formula_sum            'Al4 Ca2 H18 O33 Si8'
_chemical_name_mineral           Laumontite
_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                 109.920
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.8795
_cell_length_b                   13.1442
_cell_length_c                   7.5078
_cell_volume                     1380.515
_database_code_amcsd             0008870
_diffrn_ambient_pressure         6e+05
_exptl_crystal_density_diffrn    2.307
_cod_original_cell_volume        1380.516
_cod_original_formula_sum        'Ca2 Al4 Si8 O33 H18'
_cod_database_code               9007279
Pressure-induced migration of zeolitic water in laumontite Sample: Pleasant Valley, Connecticut, NMNH R4159; P = 1.1 GPa
Lee, Y.; Hriljac, J. A.; Vogt, T.; Physics and Chemistry of Minerals 31 (2004) 421–428; doi:

data_9007280
_publ_section_title
;
 Pressure-induced migration of zeolitic water in laumontite
 Sample: Pleasant Valley, Connecticut, NMNH R4159; P = 1.1 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              421
_journal_page_last               428
_journal_volume                  31
_journal_year                    2004
_chemical_formula_sum            'Al4 Ca2 H18 O33 Si8'
_chemical_name_mineral           Laumontite
_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                 110.001
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.8486
_cell_length_b                   13.1211
_cell_length_c                   7.4774
_cell_volume                     1368.956
_database_code_amcsd             0008871
_diffrn_ambient_pressure         1.1e+06
_exptl_crystal_density_diffrn    2.326
_cod_original_formula_sum        'Ca2 Al4 Si8 O33 H18'
_cod_database_code               9007280
Pressure-induced migration of zeolitic water in laumontite Sample: Pleasant Valley, Connecticut, NMNH R4159; P = 1.7 GPa
Lee, Y.; Hriljac, J. A.; Vogt, T.; Physics and Chemistry of Minerals 31 (2004) 421–428; doi:

data_9007281
_publ_section_title
;
 Pressure-induced migration of zeolitic water in laumontite
 Sample: Pleasant Valley, Connecticut, NMNH R4159; P = 1.7 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              421
_journal_page_last               428
_journal_volume                  31
_journal_year                    2004
_chemical_formula_sum            'Al4 Ca2 H18 O33 Si8'
_chemical_name_mineral           Laumontite
_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                 110.166
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.7934
_cell_length_b                   13.0979
_cell_length_c                   7.4420
_cell_volume                     1353.584
_database_code_amcsd             0008872
_diffrn_ambient_pressure         1.7e+06
_exptl_crystal_density_diffrn    2.353
_cod_original_formula_sum        'Ca2 Al4 Si8 O33 H18'
_cod_database_code               9007281
Pressure-induced migration of zeolitic water in laumontite Sample: Pleasant Valley, Connecticut, NMNH R4159; P = 2.4 GPa
Lee, Y.; Hriljac, J. A.; Vogt, T.; Physics and Chemistry of Minerals 31 (2004) 421–428; doi:

data_9007282
_publ_section_title
;
 Pressure-induced migration of zeolitic water in laumontite
 Sample: Pleasant Valley, Connecticut, NMNH R4159; P = 2.4 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              421
_journal_page_last               428
_journal_volume                  31
_journal_year                    2004
_chemical_formula_sum            'Al2 Ca H12 O16.5 Si4'
_chemical_name_mineral           Laumontite
_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                 110.512
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.7204
_cell_length_b                   13.1084
_cell_length_c                   7.4080
_cell_volume                     1338.825
_database_code_amcsd             0008873
_diffrn_ambient_pressure         2.4e+06
_exptl_crystal_density_diffrn    2.394
_cod_original_formula_sum        'Ca Al2 Si4 O16.5 H12'
_cod_database_code               9007282
A structural, magnetic, and Mossbauer spectral study of several Na-Mn-Fe-bearing alluaudites Sample: #1, synthetic
Hatert, F.; Long, G. J.; Hautot, D.; Fransolet, A.-M.; Delwiche, J.; Hubin-Franskin M J; Grandjean, F.; Physics and Chemistry of Minerals 31 (2004) 487–506; doi:10.1007/s00269-004-0400-4

data_9007283
_publ_section_title
;A structural, magnetic, and Mossbauer spectral study of several
 Na-Mn-Fe-bearing alluaudites Sample: #1, synthetic
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              487
_journal_page_last               506
_journal_paper_doi               10.1007/s00269-004-0400-4
_journal_volume                  31
_journal_year                    2004
_chemical_formula_sum            'Fe Mn1.911 Na1.896 O12 P3'
_chemical_name_mineral           Alluaudite
_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                 114.58
_cell_angle_gamma                90
_cell_length_a                   12.048
_cell_length_b                   12.623
_cell_length_c                   6.511
_cell_formula_units_Z            4
_cell_volume                     900.474
_database_code_amcsd             0008874
_exptl_crystal_density_diffrn    3.609
_cod_original_formula_sum        'Na1.896 Mn1.911 Fe P3 O12'
_cod_database_code               9007283
Thermodynamic properties, low-temperature heat-capacity anomalies, and single-crystal X-ray refinement of hydronium jarosite, (H3O)Fe3(SO4)2(OH)6 Note: Single-crystal X-ray diffraction refinement
Majzlan J; Stevens R; Boerio-Goates J; Woodfield B F; Navrotsky A; Burns P C; Crawford M K; Amos T G; Physics and Chemistry of Minerals 31 (2004) 518–531; doi:10.1007/s00269-004-0405-z

data_9007284
_publ_section_title
;Thermodynamic properties, low-temperature heat-capacity anomalies, and
 single-crystal X-ray refinement of hydronium jarosite, (H3O)Fe3(SO4)2(OH)6
 Note: Single-crystal X-ray diffraction refinement
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              518
_journal_page_last               531
_journal_paper_doi               10.1007/s00269-004-0405-z
_journal_volume                  31
_journal_year                    2004
_chemical_formula_sum            'Fe2.919 H6 O14.905 S2'
_chemical_name_mineral           'Hydronium jarosite'
_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                   7.3559
_cell_length_b                   7.3559
_cell_length_c                   17.0186
_cell_volume                     797.491
_cell_formula_units_Z            3
_cod_depositor_comments
;
  Z value inserted according to given formula.
                               Miguel.
;
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'S2 Fe2.919 O14.905 H6'
_cod_database_code               9007284
_database_code_amcsd 0008875
Thermodynamic properties, low-temperature heat-capacity anomalies, and single-crystal X-ray refinement of hydronium jarosite, (H3O)Fe3(SO4)2(OH)6 Note: Rietveld refinement of synchrotron X-ray diffraction pattern
Majzlan J; Stevens R; Boerio-Goates J; Woodfield B F; Navrotsky A; Burns P C; Crawford M K; Amos T G; Physics and Chemistry of Minerals 31 (2004) 518–531; doi:10.1007/s00269-004-0405-z

data_9007285
_publ_section_title
;Thermodynamic properties, low-temperature heat-capacity anomalies, and
 single-crystal X-ray refinement of hydronium jarosite, (H3O)Fe3(SO4)2(OH)6
 Note: Rietveld refinement of synchrotron X-ray diffraction pattern
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              518
_journal_page_last               531
_journal_paper_doi               10.1007/s00269-004-0405-z
_journal_volume                  31
_journal_year                    2004
_chemical_formula_sum            'Fe3 H9 O15 S2'
_chemical_name_mineral           'Hydronium jarosite'
_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_formula_units_Z            3
_cell_length_a                   7.3499
_cell_length_b                   7.3499
_cell_length_c                   17.0104
_cell_volume                     795.807
_cod_depositor_comments
;
 Adding Z value to get correct calculated formula
;
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'S2 Fe3 O15'
_cod_database_code               9007285
_database_code_amcsd 0008876
The vibrational spectrum of calcite (CaCO3): an ab initio quantum-mechanical calculation Note: Theoretically derived structure
Prencipe, M.; Pascale, F.; Zicovich-Wilson C M; Saunders, V. R.; Orlando, R.; Dovesi, R.; Physics and Chemistry of Minerals 31 (2004) 559–564; doi:10.1007/s00269-004-0418-7

data_9007286
_publ_section_title
;
 The vibrational spectrum of calcite (CaCO3): an ab initio
 quantum-mechanical calculation
 Note: Theoretically derived structure
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              559
_journal_page_last               564
_journal_paper_doi               10.1007/s00269-004-0418-7
_journal_volume                  31
_journal_year                    2004
_chemical_formula_structural     Ca(CO3)
_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_formula_units_Z            6
_cell_length_a                   5.0492
_cell_length_b                   5.0492
_cell_length_c                   17.3430
_cell_volume                     382.913
_database_code_amcsd             0008879
_exptl_crystal_density_diffrn    2.604
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Ca C O3'
_cod_database_code               9007286
The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 4.2 K
Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E; Physics and Chemistry of Minerals 31 (2004) 606–624; doi:10.1007/s00269-004-0419-6

data_9007287
_publ_section_title
;
 The role of hydrogen bonding in the thermal expansion and dehydration
 of brushite, di-calcium phosphate dihydrate
 Sample: T = 4.2 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              606
_journal_page_last               624
_journal_paper_doi               10.1007/s00269-004-0419-6
_journal_volume                  31
_journal_year                    2004
_chemical_formula_sum            'Ca D5 O6 P'
_chemical_name_mineral           'Brushite (deuterated)'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'I -2ya'
_symmetry_space_group_name_H-M   'I 1 a 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.429
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.79903
_cell_length_b                   15.1254
_cell_length_c                   6.18398
_cell_volume                     485.724
_diffrn_ambient_temperature      4.2
_exptl_crystal_density_diffrn    2.422
_cod_original_formula_sum        'Ca P O6 D5'
_cod_database_code               9007287
_database_code_amcsd 0008880
The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 10 K
Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E; Physics and Chemistry of Minerals 31 (2004) 606–624; doi:10.1007/s00269-004-0419-6

data_9007288
_publ_section_title
;
 The role of hydrogen bonding in the thermal expansion and dehydration
 of brushite, di-calcium phosphate dihydrate
 Sample: T = 10 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              606
_journal_page_last               624
_journal_paper_doi               10.1007/s00269-004-0419-6
_journal_volume                  31
_journal_year                    2004
_chemical_formula_sum            'Ca D5 O6 P'
_chemical_name_mineral           'Brushite (deuterated)'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'I -2ya'
_symmetry_space_group_name_H-M   'I 1 a 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.428
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.7990
_cell_length_b                   15.1255
_cell_length_c                   6.1839
_cell_volume                     485.722
_diffrn_ambient_temperature      10
_exptl_crystal_density_diffrn    2.422
_cod_original_formula_sum        'Ca P O6 D5'
_cod_database_code               9007288
_database_code_amcsd 0008881
The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Note: Obvious typo in the x-coordinate of D2 corrected Sample: T = 20 K
Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E; Physics and Chemistry of Minerals 31 (2004) 606–624; doi:10.1007/s00269-004-0419-6

data_9007289
_publ_section_title
;
 The role of hydrogen bonding in the thermal expansion and dehydration
 of brushite, di-calcium phosphate dihydrate
 Note: Obvious typo in the x-coordinate of D2 corrected
 Sample: T = 20 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              606
_journal_page_last               624
_journal_paper_doi               10.1007/s00269-004-0419-6
_journal_volume                  31
_journal_year                    2004
_chemical_formula_sum            'Ca D5 O6 P'
_chemical_name_mineral           'Brushite (deuterated)'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'I -2ya'
_symmetry_space_group_name_H-M   'I 1 a 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.429
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.7991
_cell_length_b                   15.1251
_cell_length_c                   6.1840
_cell_volume                     485.722
_diffrn_ambient_temperature      20
_exptl_crystal_density_diffrn    2.422
_cod_original_formula_sum        'Ca P O6 D5'
_cod_database_code               9007289
_database_code_amcsd 0008882
The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 30 K
Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E; Physics and Chemistry of Minerals 31 (2004) 606–624; doi:10.1007/s00269-004-0419-6

data_9007290
_publ_section_title
;
 The role of hydrogen bonding in the thermal expansion and dehydration
 of brushite, di-calcium phosphate dihydrate
 Sample: T = 30 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              606
_journal_page_last               624
_journal_paper_doi               10.1007/s00269-004-0419-6
_journal_volume                  31
_journal_year                    2004
_chemical_formula_sum            'Ca D5 O6 P'
_chemical_name_mineral           'Brushite (deuterated)'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'I -2ya'
_symmetry_space_group_name_H-M   'I 1 a 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.427
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.7990
_cell_length_b                   15.1255
_cell_length_c                   6.1839
_cell_volume                     485.727
_diffrn_ambient_temperature      30
_exptl_crystal_density_diffrn    2.422
_cod_original_formula_sum        'Ca P O6 D5'
_cod_database_code               9007290
_database_code_amcsd 0008883