LMucko/crystallography-open-database huggingface dataset:
The role of water in the structures of synthetic hallimondite, Pb2[(UO2)(AsO4)2](H2O)n and synthetic parsonsite, Pb2[(UO2)(PO4)2](H2O)n, 0 < n < 0.5
Locock, A. J.; Burns, P. C.; Flynn, T. M.; American Mineralogist 90 (2005) 240–246; doi:10.2138/am.2005.1705

data_9003627
_publ_section_title
;The role of water in the structures of synthetic hallimondite,
 Pb2[(UO2)(AsO4)2](H2O)n and synthetic parsonsite, Pb2[(UO2)(PO4)2](H2O)n, 0 <
 n < 0.5
;
_journal_name_full               'American Mineralogist'
_journal_page_first              240
_journal_page_last               246
_journal_paper_doi               10.2138/am.2005.1705
_journal_volume                  90
_journal_year                    2005
_chemical_formula_sum            'As2 H2 O10.29 Pb2 U'
_chemical_name_mineral           Hallimondite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.178
_cell_angle_beta                 95.711
_cell_angle_gamma                86.651
_cell_formula_units_Z            2
_cell_length_a                   7.1153
_cell_length_b                   10.4780
_cell_length_c                   6.8571
_cell_volume                     498.637
_database_code_amcsd             0003720
_exptl_crystal_density_diffrn    6.453
_cod_original_formula_sum        'U Pb2 As2 O10.29 H2'
_cod_database_code               9003627
The role of water in the structures of synthetic hallimondite, Pb2[(UO2)(AsO4)2](H2O)n and synthetic parsonsite, Pb2[(UO2)(PO4)2](H2O)n, 0 < n < 0.5
Locock, A. J.; Burns, P. C.; Flynn, T. M.; American Mineralogist 90 (2005) 240–246; doi:10.2138/am.2005.1705

data_9003628
_publ_section_title
;The role of water in the structures of synthetic hallimondite,
 Pb2[(UO2)(AsO4)2](H2O)n and synthetic parsonsite, Pb2[(UO2)(PO4)2](H2O)n, 0 <
 n < 0.5
;
_journal_name_full               'American Mineralogist'
_journal_page_first              240
_journal_page_last               246
_journal_paper_doi               10.2138/am.2005.1705
_journal_volume                  90
_journal_year                    2005
_chemical_formula_sum            'O10 P2 Pb2 U'
_chemical_name_mineral           Parsonsite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.418
_cell_angle_beta                 98.347
_cell_angle_gamma                86.264
_cell_length_a                   6.8432
_cell_length_b                   10.4105
_cell_length_c                   6.6718
_cell_formula_units_Z            2
_cell_volume                     460.639
_database_code_amcsd             0003721
_exptl_crystal_density_diffrn    6.304
_cod_original_formula_sum        'U Pb2 P2 O10'
_cod_database_code               9003628
Variable-temperature structural studies of tetranatrolite from Mt. Saint-Hilaire: Synchrotron X-ray powder diffraction and Rietveld analysis Sample: at ambient conditions
Lee Y; Hriljac J A; Vogt T; American Mineralogist 90 (2005) 247–251; doi:10.2138/am.2005.1696

data_9003629
_publ_section_title
;Variable-temperature structural studies of tetranatrolite from Mt.
 Saint-Hilaire: Synchrotron X-ray powder diffraction and Rietveld analysis
 Sample: at ambient conditions
;
_journal_name_full               'American Mineralogist'
_journal_page_first              247
_journal_page_last               251
_journal_paper_doi               10.2138/am.2005.1696
_journal_volume                  90
_journal_year                    2005
_chemical_formula_sum            'Al2.315 Ca0.474 H8 Na1.462 O12.74 Si2.685'
_chemical_name_mineral           Tetranatrolite
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.1988
_cell_length_b                   13.1988
_cell_length_c                   6.6288
_cell_formula_units_Z            4
_cell_volume                     1154.792
_cod_original_formula_sum        '(Si2.685 Al2.315) O12.74 Na1.462 Ca.474 H8'
_cod_database_code               9003629
Variable-temperature structural studies of tetranatrolite from Mt. Saint-Hilaire: Synchrotron X-ray powder diffraction and Rietveld analysis Sample: T = 100 C
Lee Y; Hriljac J A; Vogt T; American Mineralogist 90 (2005) 247–251; doi:10.2138/am.2005.1696

data_9003630
_publ_section_title
;Variable-temperature structural studies of tetranatrolite from Mt.
 Saint-Hilaire: Synchrotron X-ray powder diffraction and Rietveld analysis
 Sample: T = 100 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              247
_journal_page_last               251
_journal_paper_doi               10.2138/am.2005.1696
_journal_volume                  90
_journal_year                    2005
_chemical_formula_sum            'Al2.315 Ca0.474 H8 Na1.462 O12.37 Si2.685'
_chemical_name_mineral           Tetranatrolite
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.0666
_cell_length_b                   13.0666
_cell_length_c                   6.6632
_cell_formula_units_Z            4
_cell_volume                     1137.648
_diffrn_ambient_temperature      373.15
_cod_original_formula_sum        '(Si2.685 Al2.315) O12.37 Na1.462 Ca.474 H8'
_cod_database_code               9003630
Variable-temperature structural studies of tetranatrolite from Mt. Saint-Hilaire: Synchrotron X-ray powder diffraction and Rietveld analysis Sample: T = 200 C
Lee Y; Hriljac J A; Vogt T; American Mineralogist 90 (2005) 247–251; doi:10.2138/am.2005.1696

data_9003631
_publ_section_title
;Variable-temperature structural studies of tetranatrolite from Mt.
 Saint-Hilaire: Synchrotron X-ray powder diffraction and Rietveld analysis
 Sample: T = 200 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              247
_journal_page_last               251
_journal_paper_doi               10.2138/am.2005.1696
_journal_volume                  90
_journal_year                    2005
_chemical_formula_sum            'Al2.315 Ca0.474 H8 Na1.462 O12.102 Si2.685'
_chemical_name_mineral           Tetranatrolite
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.9815
_cell_length_b                   12.9815
_cell_length_c                   6.6808
_cell_formula_units_Z            4
_cell_volume                     1125.844
_diffrn_ambient_temperature      473.15
_cod_original_formula_sum        '(Si2.685 Al2.315) O12.102 Na1.462 Ca.474 H8'
_cod_database_code               9003631
Variable-temperature structural studies of tetranatrolite from Mt. Saint-Hilaire: Synchrotron X-ray powder diffraction and Rietveld analysis Sample: T = 300 C, phase I
Lee Y; Hriljac J A; Vogt T; American Mineralogist 90 (2005) 247–251; doi:10.2138/am.2005.1696

data_9003632
_publ_section_title
;Variable-temperature structural studies of tetranatrolite from Mt.
 Saint-Hilaire: Synchrotron X-ray powder diffraction and Rietveld analysis
 Sample: T = 300 C, phase I
;
_journal_name_full               'American Mineralogist'
_journal_page_first              247
_journal_page_last               251
_journal_paper_doi               10.2138/am.2005.1696
_journal_volume                  90
_journal_year                    2005
_chemical_formula_sum            'Al2.315 Ca0.474 H0.204 Na1.462 O12 Si2.685'
_chemical_name_mineral           Tetranatrolite
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.9202
_cell_length_b                   12.9202
_cell_length_c                   6.6950
_cell_formula_units_Z            4
_cell_volume                     1117.607
_diffrn_ambient_temperature      573.15
_cod_original_formula_sum        '(Si2.685 Al2.315) O12 Na1.462 Ca.474 H.204'
_cod_database_code               9003632
Variable-temperature structural studies of tetranatrolite from Mt. Saint-Hilaire: Synchrotron X-ray powder diffraction and Rietveld analysis Sample: T = 300 C, phase II
Lee Y; Hriljac J A; Vogt T; American Mineralogist 90 (2005) 247–251; doi:10.2138/am.2005.1696

data_9003633
_publ_section_title
;Variable-temperature structural studies of tetranatrolite from Mt.
 Saint-Hilaire: Synchrotron X-ray powder diffraction and Rietveld analysis
 Sample: T = 300 C, phase II
;
_journal_name_full               'American Mineralogist'
_journal_page_first              247
_journal_page_last               251
_journal_paper_doi               10.2138/am.2005.1696
_journal_volume                  90
_journal_year                    2005
_chemical_formula_sum
'Al2.315 Ca0.474 H0.204 Na1.462 O10.402 Si2.685'
_chemical_name_mineral           Tetranatrolite
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.1503
_cell_length_b                   13.1503
_cell_length_c                   6.2469
_cell_formula_units_Z            4
_cell_volume                     1080.279
_diffrn_ambient_temperature      573.15
_cod_original_formula_sum
'(Si2.685 Al2.315) O10.402 Na1.462 Ca.474 H.204'
_cod_database_code               9003633
Pressure-induced stabilization of ordered paranatrolite: A new insight into the paranatrolite controversy Sample: at P = 0.99 GPa
Lee, Y.; Hriljac, J. A.; Parise, J. B.; Vogt, T.; American Mineralogist 90 (2005) 252–257; doi:10.2138/am.2005.1588

data_9003634
_publ_section_title
;
 Pressure-induced stabilization of ordered paranatrolite: A new
 insight into the paranatrolite controversy
 Sample: at P = 0.99 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              252
_journal_page_last               257
_journal_paper_doi               10.2138/am.2005.1588
_journal_volume                  90
_journal_year                    2005
_chemical_formula_sum            'Al2 H6 Na2 O13 Si3'
_chemical_name_mineral           Paranatrolite
_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                 107.56
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.4800
_cell_length_b                   19.293
_cell_length_c                   9.8984
_cell_volume                     1179.820
_database_code_amcsd             0003732
_diffrn_ambient_pressure         9.9e+05
_exptl_crystal_density_diffrn    2.242
_cod_original_formula_sum        'Si3 Al2 O13 Na2 H6'
_cod_database_code               9003634
Stability and equation of state of MgGeO3 post-perovskite phase Sample: P = 78.3 GPa, T = 300 K Note: CaIrO3-type structure
Hirose, K.; Kawamura, K.; Ohishi, Y.; Tateno, S.; Sata, N.; American Mineralogist 90 (2005) 262–265; doi:10.2138/am.2005.1702

data_9003635
_publ_section_title
;
 Stability and equation of state of MgGeO3 post-perovskite phase
 Sample: P = 78.3 GPa, T = 300 K
 Note: CaIrO3-type structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              262
_journal_page_last               265
_journal_paper_doi               10.2138/am.2005.1702
_journal_volume                  90
_journal_year                    2005
_chemical_formula_structural     MgGeO3
_chemical_formula_sum            'Ge Mg O3'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   2.613
_cell_length_b                   8.473
_cell_length_c                   6.443
_cell_formula_units_Z            4
_cell_volume                     142.648
_database_code_amcsd             0003733
_diffrn_ambient_pressure         7.83e+07
_diffrn_ambient_temperature      300
_exptl_crystal_density_diffrn    6.748
_cod_original_formula_sum        'Mg Ge O3'
_cod_database_code               9003635
Stability and equation of state of MgGeO3 post-perovskite phase Sample: P = 78.3 GPa, T = 300 K Note: CaIrO3-type structure, positional parameters from MD simulation
Hirose, K.; Kawamura, K.; Ohishi, Y.; Tateno, S.; Sata, N.; American Mineralogist 90 (2005) 262–265; doi:10.2138/am.2005.1702

data_9003636
_publ_section_title
;
 Stability and equation of state of MgGeO3 post-perovskite phase
 Sample: P = 78.3 GPa, T = 300 K
 Note: CaIrO3-type structure, positional parameters from MD simulation
;
_journal_name_full               'American Mineralogist'
_journal_page_first              262
_journal_page_last               265
_journal_paper_doi               10.2138/am.2005.1702
_journal_volume                  90
_journal_year                    2005
_chemical_formula_structural     MgGeO3
_chemical_formula_sum            'Ge Mg O3'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   2.613
_cell_length_b                   8.473
_cell_length_c                   6.443
_cell_formula_units_Z            4
_cell_volume                     142.648
_database_code_amcsd             0003734
_diffrn_ambient_pressure         7.83e+07
_diffrn_ambient_temperature      300
_exptl_crystal_density_diffrn    6.748
_cod_original_formula_sum        'Mg Ge O3'
_cod_database_code               9003636
Dellaventuraite, NaNa2(MgMn2TiLi)Si8O22O2, a new anhydrous amphibole from the Kajlidongri Manganese Mine, Jhabua District, Madhya Pradesh, India
Tait, K. T.; Hawthorne, F. C.; Grice, J. D.; Ottolini, L.; Nayak, V. K.; American Mineralogist 90 (2005) 304–309; doi:10.2138/am.2005.1659

data_9003637
_publ_section_title
;
 Dellaventuraite, NaNa2(MgMn2TiLi)Si8O22O2, a new anhydrous amphibole from
 the Kajlidongri Manganese Mine, Jhabua District, Madhya Pradesh, India
;
_journal_name_full               'American Mineralogist'
_journal_page_first              304
_journal_page_last               309
_journal_paper_doi               10.2138/am.2005.1659
_journal_volume                  90
_journal_year                    2005
_chemical_formula_sum
'Al0.1 Ca0.28 Fe0.72 K0.8 Li1.8 Mg1.85 Mn0.83 Na2.92 O24 Si8 Ti0.6'
_chemical_name_mineral           Dellaventuraite
_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                 104.653
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.808
_cell_length_b                   17.840
_cell_length_c                   5.2848
_cell_volume                     894.631
_database_code_amcsd             0003735
_exptl_crystal_density_diffrn    3.315
_cod_original_formula_sum
'Mg1.85 Mn.83 Ti.6 Fe.72 Al.1 Li1.8 Na2.92 Ca.28 Si8 O24 K.8'
_cod_database_code               9003637
The crystal structures of synthetics Fe2(SO4)3(H2O)5 and the type specimen of lausenite
Majzlan, J.; Botez, C.; Stephens, P. W.; American Mineralogist 90 (2005) 411–416; doi:10.2138/am.2005.1701

data_9003638
_publ_section_title
;The crystal structures of synthetics Fe2(SO4)3(H2O)5 and the type specimen of
 lausenite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              411
_journal_page_last               416
_journal_paper_doi               10.2138/am.2005.1701
_journal_volume                  90
_journal_year                    2005
_chemical_formula_sum            'Fe2 H10 O17 S3'
_chemical_name_mineral           Lausenite
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.853
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.711
_cell_length_b                   11.085
_cell_length_c                   5.5747
_cell_volume                     654.007
_exptl_crystal_density_diffrn    2.488
_cod_depositor_comments
;

2017-09-06
Z value inserted to be consistent with given formula 
Water oxygen renamed so they are recognized as oxygens.
                 miguel
;
_cod_original_formula_sum        'Fe2 S3 O17 H10'
_cod_database_code               9003638
_database_code_amcsd 0003736
Ordering and elasticity associated with low-temperature phase transitions in lawsonite Sample at T = 215 K
Sondergeld, P.; Schranz, W.; Troster, A.; Armbruster, T.; Giester, G.; Kityk, A.; Carpenter, M. A.; American Mineralogist 90 (2005) 448–456; doi:10.2138/am.2005.1243

data_9003639
_publ_section_title
;Ordering and elasticity associated with low-temperature phase transitions in
 lawsonite Sample at T = 215 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              448
_journal_page_last               456
_journal_paper_doi               10.2138/am.2005.1243
_journal_volume                  90
_journal_year                    2005
_chemical_formula_sum            'Al2 Ca H4 O10 Si2'
_chemical_name_mineral           Lawsonite
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.8515
_cell_length_b                   8.7768
_cell_length_c                   13.1107
_cell_formula_units_Z            4
_cell_volume                     673.332
_diffrn_ambient_temperature      215
_exptl_crystal_density_diffrn    3.100
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-02-17
;
_cod_original_formula_sum        'Ca Al2 Si2 O10 H4'
_cod_database_code               9003639
_database_code_amcsd 0003737
Mn-bearing "oxy-rossmanite" with tetrahedrally-coordinated Al and B from Austria: Structure, chemistry, and infrared and optical spectroscopic study Sample: REDT1 from Eibenstein an der Thaya, Lower Austria Reported formula: (Na.46 Ca.01) (Al2.37 Li.33 Mn2+.25 Fe2+.04 Ti4+.01) Al6 (Si5.47 Al.28 B.25) O18 (BO3)3 [(OH)2.85 O.15] [O.86 (OH).10 F.04] Tourmaline
Ertl, A.; Rossman, G. R.; Hughes, J. M.; Prowatke, S.; Ludwig, T.; American Mineralogist 90 (2005) 481–487; doi:10.2138/am.2005.1683

data_9003640
_publ_section_title
;
 Mn-bearing "oxy-rossmanite" with tetrahedrally-coordinated Al and B from
 Austria: Structure, chemistry, and infrared and optical spectroscopic study
 Sample: REDT1 from Eibenstein an der Thaya, Lower Austria
 Reported formula: (Na.46 Ca.01) (Al2.37 Li.33 Mn2+.25 Fe2+.04 Ti4+.01) Al6
 (Si5.47 Al.28 B.25) O18 (BO3)3 [(OH)2.85 O.15] [O.86 (OH).10 F.04]
 Tourmaline
;
_journal_name_full               'American Mineralogist'
_journal_page_first              481
_journal_page_last               487
_journal_paper_doi               10.2138/am.2005.1683
_journal_volume                  90
_journal_year                    2005
_chemical_formula_sum            'Al8.982 B3.324 H5 Na0.484 O31 Si5.676'
_chemical_name_mineral           Rossmanite
_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                   15.8031
_cell_length_b                   15.8031
_cell_length_c                   7.0877
_cell_volume                     1532.924
_exptl_crystal_density_diffrn    3.087
_cod_original_cell_volume        1532.923
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'Na.484 Al8.982 B3.324 Si5.676 O31 H5'
_cod_database_code               9003640
Mn-bearing "oxy-rossmanite" with tetrahedrally-coordinated Al and B from Austria: Structure, chemistry, and infrared and optical spectroscopic study Sample: REDT4 from Eibenstein an der Thaya, Lower Austria Reported formula: (Na.46 Ca.01) (Al2.35 Li.32 Mn2+.28 Fe2+.04 Ti4+.01) Al6 (Si5.51 Al.25 B.24) O18 (BO3)3 [(OH)2.80 O.20] [O.86 (OH).10 F.04] Tourmaline
Ertl, A.; Rossman, G. R.; Hughes, J. M.; Prowatke, S.; Ludwig, T.; American Mineralogist 90 (2005) 481–487; doi:10.2138/am.2005.1683

data_9003641
_publ_section_title
;
 Mn-bearing "oxy-rossmanite" with tetrahedrally-coordinated Al and B from
 Austria: Structure, chemistry, and infrared and optical spectroscopic study
 Sample: REDT4 from Eibenstein an der Thaya, Lower Austria
 Reported formula: (Na.46 Ca.01) (Al2.35 Li.32 Mn2+.28 Fe2+.04 Ti4+.01) Al6
 (Si5.51 Al.25 B.24) O18 (BO3)3 [(OH)2.80 O.20] [O.86 (OH).10 F.04]
 Tourmaline
;
_journal_name_full               'American Mineralogist'
_journal_page_first              481
_journal_page_last               487
_journal_paper_doi               10.2138/am.2005.1683
_journal_volume                  90
_journal_year                    2005
_chemical_formula_sum            'Al9 B3.39 H3 Na0.478 O31 Si5.61'
_chemical_name_mineral           Rossmanite
_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                   15.8171
_cell_length_b                   15.8171
_cell_length_c                   7.0935
_cell_volume                     1536.898
_exptl_crystal_density_diffrn    3.070
_cod_original_cell_volume        1536.897
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'Na.478 Al9 B3.39 Si5.61 O31 H3'
_cod_database_code               9003641
Re-examination of the hydrogarnet structure at high pressure using neutron powder diffraction and infrared spectroscopy Sample: P = 0.08 GPa
Lager, G. A.; Marshall, W. G.; Liu, Z.; Downs, R. T.; American Mineralogist 90 (2005) 639–644; doi:10.2138/am.2005.1631

data_9003642
_publ_section_title
;
 Re-examination of the hydrogarnet structure at high pressure
 using neutron powder diffraction and infrared spectroscopy
 Sample: P = 0.08 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              639
_journal_page_last               644
_journal_paper_doi               10.2138/am.2005.1631
_journal_volume                  90
_journal_year                    2005
_chemical_formula_sum            'Al2 Ca3 D12 O12'
_chemical_name_mineral           'Katoite (deuterated)'
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.5670
_cell_length_b                   12.5670
_cell_length_c                   12.5670
_cell_formula_units_Z            8
_cell_volume                     1984.700
_diffrn_ambient_pressure         80000
_exptl_crystal_density_diffrn    2.613
_cod_original_sg_symbol_H-M      'I a 3 d'
_cod_original_formula_sum        'Ca3 Al2 O12 D12'
_cod_database_code               9003642
_database_code_amcsd 0003740