LMucko/crystallography-open-database huggingface dataset:
Crystal structures and crystal chemistry of the uranyl oxide hydrates becquerelite, billietite, and protasite
Pagoaga, M. K.; Appleman, D. E.; Stewart, J. M.; American Mineralogist 72 (1987) 1230–1238; doi:

data_9001110
_publ_section_title
;
 Crystal structures and crystal chemistry of the uranyl oxide hydrates
 becquerelite, billietite, and protasite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1230
_journal_page_last               1238
_journal_volume                  72
_journal_year                    1987
_chemical_compound_source        'Shaba, Zaire'
_chemical_formula_sum            'Ca O30 U6'
_chemical_name_mineral           Becquerelite
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P -2ac -2n'
_symmetry_space_group_name_H-M   'P n 21 a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.8378
_cell_length_b                   12.3781
_cell_length_c                   14.9238
_cell_formula_units_Z            4
_cell_volume                     2556.233
_database_code_amcsd             0001132
_exptl_crystal_density_diffrn    5.062
_cod_original_formula_sum        'U6 Ca O30'
_cod_database_code               9001110
Crystal structures and crystal chemistry of the uranyl oxide hydrates becquerelite, billietite, and protasite Note: y-coordinate of O601u atom changed to make calculated bond lengths match those published
Pagoaga, M. K.; Appleman, D. E.; Stewart, J. M.; American Mineralogist 72 (1987) 1230–1238; doi:

data_9001111
_publ_section_title
;
 Crystal structures and crystal chemistry of the uranyl oxide hydrates
 becquerelite, billietite, and protasite
 Note: y-coordinate of O601u atom changed to make calculated bond lengths
 match those published
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1230
_journal_page_last               1238
_journal_volume                  72
_journal_year                    1987
_chemical_compound_source        'Shinkolobwe mine, Shaba, Zaire'
_chemical_formula_sum            'Ba O23 U6'
_chemical_name_mineral           Billietite
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2ab'
_symmetry_space_group_name_H-M   'P b n 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.0720
_cell_length_b                   30.167
_cell_length_c                   7.1455
_cell_formula_units_Z            4
_cell_volume                     2602.220
_database_code_amcsd             0001133
_exptl_crystal_density_diffrn    4.935
_cod_original_formula_sum        'U6 Ba O23'
_cod_database_code               9001111
Crystal structures and crystal chemistry of the uranyl oxide hydrates becquerelite, billietite, and protasite
Pagoaga, M. K.; Appleman, D. E.; Stewart, J. M.; American Mineralogist 72 (1987) 1230–1238; doi:

data_9001112
_publ_section_title
;
 Crystal structures and crystal chemistry of the uranyl oxide hydrates
 becquerelite, billietite, and protasite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1230
_journal_page_last               1238
_journal_volume                  72
_journal_year                    1987
_chemical_compound_source        'Shinkolobwe mine, Shaba, Zaire'
_chemical_formula_sum            'Ba O14 U3'
_chemical_name_mineral           Protasite
_space_group_IT_number           7
_symmetry_space_group_name_Hall  'P -2yac'
_symmetry_space_group_name_H-M   'P 1 n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.401
_cell_angle_gamma                90
_cell_length_a                   12.2949
_cell_length_b                   7.2206
_cell_length_c                   6.9558
_cell_formula_units_Z            2
_cell_volume                     617.497
_database_code_amcsd             0001134
_exptl_crystal_density_diffrn    5.784
_cod_original_formula_sum        'U3 Ba O14'
_cod_database_code               9001112
Crystal structure and crystal chemistry of perroudite: A mineral from Coppin Pool, Western Australia
Mumme, W. G.; Nickel, E. H.; American Mineralogist 72 (1987) 1257–1262; doi:

data_9001113
_publ_section_title
;
 Crystal structure and crystal chemistry of perroudite:
 A mineral from Coppin Pool, Western Australia
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1257
_journal_page_last               1262
_journal_volume                  72
_journal_year                    1987
_chemical_formula_sum            'Ag4.4 Br0.8 Cl2 Hg4.1 I1.6 S4.1'
_chemical_name_mineral           Perroudite
_space_group_IT_number           18
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   17.43
_cell_length_b                   12.24
_cell_length_c                   4.35
_cell_formula_units_Z            2
_cell_volume                     928.043
_database_code_amcsd             0001135
_exptl_crystal_density_diffrn    6.321
_cod_original_formula_sum        'Hg4.1 Ag4.4 S4.1 Cl2 Br.8 I1.6'
_cod_database_code               9001113
Studies of the crystal structure and crystal chemistry of titanomaghemite
Collyer, S.; Grimes, N. W.; Vaughan, D. J.; Longworth, G.; American Mineralogist 73 (1988) 153–160; doi:

data_9001114
_publ_section_title
;
 Studies of the crystal structure and crystal chemistry of titanomaghemite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              153
_journal_page_last               160
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'Fe2.18 O4 Ti0.42'
_chemical_name_mineral           Titanomaghemite
_space_group_IT_number           212
_symmetry_space_group_name_Hall  'P 4acd 2ab 3'
_symmetry_space_group_name_H-M   'P 43 3 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.341
_cell_length_b                   8.341
_cell_length_c                   8.341
_cell_formula_units_Z            8
_cell_volume                     580.302
_exptl_crystal_density_diffrn    4.712
_cod_original_formula_sum        'Fe2.18 Ti.42 O4'
_cod_database_code               9001114
Pyrophosphate groups in the structure of canaphite, CaNa2P2O7.4(H2O): The first occurrence of a condensed phosphate as a mineral
Rouse, R. C.; Peacor, D. R.; Freed, R. L.; American Mineralogist 73 (1988) 168–171; doi:

data_9001115
_publ_section_title
;
 Pyrophosphate groups in the structure of canaphite, CaNa2P2O7.4(H2O): The
 first occurrence of a condensed phosphate as a mineral
;
_journal_name_full               'American Mineralogist'
_journal_page_first              168
_journal_page_last               171
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'Ca H4 Na2 O11 P2'
_chemical_name_mineral           Canaphite
_space_group_IT_number           7
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.13
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.673
_cell_length_b                   8.48
_cell_length_c                   10.529
_cell_volume                     486.579
_database_code_amcsd             0001137
_exptl_crystal_density_diffrn    2.239
_cod_original_formula_sum        'Ca Na2 P2 O11 H4'
_cod_database_code               9001115
Howardevansite, NaCuFe2(VO4)3, a new fumarolic sublimate from Izalco volcano, El Salvador: Descriptive mineralogy and crystal structure Note: Displacement ellipsoid for Na1 is not positive-definite
Hughes, J. M.; Drexler, J. W.; Campana, C. F.; Malinconico, M. L.; American Mineralogist 73 (1988) 181–186; doi:

data_9001116
_publ_section_title
;
 Howardevansite, NaCuFe2(VO4)3, a new fumarolic sublimate from
 Izalco volcano, El Salvador: Descriptive mineralogy and crystal structure
 Note: Displacement ellipsoid for Na1 is not positive-definite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              181
_journal_page_last               186
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'Cu2 Fe4 Na2 O24 V6'
_chemical_name_mineral           Howardevansite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                103.82
_cell_angle_beta                 101.99
_cell_angle_gamma                106.74
_cell_length_a                   8.198
_cell_length_b                   9.773
_cell_length_c                   6.6510
_cell_formula_units_Z            1
_cell_volume                     473.098
_database_code_amcsd             0001138
_exptl_crystal_density_diffrn    3.812
_cod_original_formula_sum        'Cu2 Fe4 V6 Na2 O24'
_cod_database_code               9001116
Crystal structure at 25 and 700 C of magnesiochloritoid from a high-pressure assemblage (Monte Rosa) Sample at 25 C
Ivaldi, G.; Catti, M.; Ferraris, G.; American Mineralogist 73 (1988) 358–364; doi:

data_9001117
_publ_section_title
;
 Crystal structure at 25 and 700 C of magnesiochloritoid from a high-pressure
 assemblage (Monte Rosa)
 Sample at 25 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              358
_journal_page_last               364
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'Al2 Fe0.35 H2 Mg0.65 O7 Si'
_chemical_name_mineral           Magnesiochloritoid
_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                 101.4
_cell_angle_gamma                90
_cell_length_a                   9.460
_cell_length_b                   5.471
_cell_length_c                   18.182
_cell_formula_units_Z            8
_cell_volume                     922.456
_database_code_amcsd             0001139
_exptl_crystal_density_diffrn    3.332
_cod_original_formula_sum        'Al2 (Mg.65 Fe.35) Si O7 H2'
_cod_database_code               9001117
Crystal structure at 25 and 700 C of magnesiochloritoid from a high-pressure assemblage (Monte Rosa) Sample at 700 C
Ivaldi, G.; Catti, M.; Ferraris, G.; American Mineralogist 73 (1988) 358–364; doi:

data_9001118
_publ_section_title
;
 Crystal structure at 25 and 700 C of magnesiochloritoid from a high-pressure
 assemblage (Monte Rosa)
 Sample at 700 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              358
_journal_page_last               364
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'Al2 Fe0.35 H2 Mg0.65 O7 Si'
_chemical_name_mineral           Magnesiochloritoid
_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                 101.3
_cell_angle_gamma                90
_cell_length_a                   9.515
_cell_length_b                   5.516
_cell_length_c                   18.300
_cell_formula_units_Z            8
_cell_volume                     941.852
_database_code_amcsd             0001140
_exptl_crystal_density_diffrn    3.264
_cod_original_formula_sum        'Al2 (Mg.65 Fe.35) Si (O7 H2)'
_cod_database_code               9001118
Structure and crystal chemistry of clintonite Sample from Chichibu mine
MacKinney, J. A.; Mora, C. I.; Bailey, S. W.; American Mineralogist 73 (1988) 365–375; doi:

data_9001119
_publ_section_title
;
 Structure and crystal chemistry of clintonite
 Sample from Chichibu mine
;
_journal_name_full               'American Mineralogist'
_journal_page_first              365
_journal_page_last               375
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'Al3.75 Ca Fe0.07 H2 Mg2.1 O12 Si1.08'
_chemical_name_mineral           Clintonite-1M
_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                 100.32
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.197
_cell_length_b                   9.002
_cell_length_c                   9.812
_cell_volume                     451.613
_database_code_amcsd             0001141
_exptl_crystal_density_diffrn    3.093
_cod_original_formula_sum        'Si1.08 Al3.75 Fe.07 Mg2.1 Ca O12 H2'
_cod_database_code               9001119
Structure and crystal chemistry of clintonite Sample from Ertsberg, Irian Jaya
MacKinney, J. A.; Mora, C. I.; Bailey, S. W.; American Mineralogist 73 (1988) 365–375; doi:

data_9001120
_publ_section_title
;
 Structure and crystal chemistry of clintonite
 Sample from Ertsberg, Irian Jaya
;
_journal_name_full               'American Mineralogist'
_journal_page_first              365
_journal_page_last               375
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'Al3.64 Ca Fe0.15 H2 Mg2.09 O12 Si1.12'
_chemical_name_mineral           Clintonite-1M
_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                 100.30
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.199
_cell_length_b                   9.005
_cell_length_c                   9.812
_cell_volume                     451.966
_database_code_amcsd             0001142
_exptl_crystal_density_diffrn    3.108
_cod_original_formula_sum        'Si1.12 Al3.64 Fe.15 Mg2.09 Ca O12 H2'
_cod_database_code               9001120
Structure and crystal chemistry of clintonite Sample from Edenvill, Orange Country, New York
MacKinney, J. A.; Mora, C. I.; Bailey, S. W.; American Mineralogist 73 (1988) 365–375; doi:

data_9001121
_publ_section_title
;
 Structure and crystal chemistry of clintonite
 Sample from Edenvill, Orange Country, New York
;
_journal_name_full               'American Mineralogist'
_journal_page_first              365
_journal_page_last               375
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'Al3.38 Ca Fe0.12 H2 Mg2.16 O12 Si1.32'
_chemical_name_mineral           Clintonite-1M
_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                 100.30
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.200
_cell_length_b                   9.005
_cell_length_c                   9.779
_cell_volume                     450.532
_database_code_amcsd             0001143
_exptl_crystal_density_diffrn    3.107
_cod_original_formula_sum        'Si1.32 Al3.38 Mg2.16 Fe.12 Ca O12 H2'
_cod_database_code               9001121
Crystal structures of cetineite and its synthetic Na analogue Na3.6(Sb2O3)3(SbS3)(OH)0.6.2.4(H2O)
Sabelli, C.; Nakai, I.; Katsura, S.; American Mineralogist 73 (1988) 398–404; doi:

data_9001122
_publ_section_title
;
 Crystal structures of cetineite and its synthetic Na analogue
 Na3.6(Sb2O3)3(SbS3)(OH)0.6.2.4(H2O)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              398
_journal_page_last               404
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'H2.82 K2.4 Na0.58 O11.82 S3 Sb7'
_chemical_name_mineral           Cetineite
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   14.2513
_cell_length_b                   14.2513
_cell_length_c                   5.5900
_cell_volume                     983.222
_exptl_crystal_density_diffrn    4.214
_cod_original_formula_sum        'Sb7 K2.4 S3 Na.58 O11.82 H2.82'
_cod_database_code               9001122
Crystal structures of cetineite and its synthetic Na analogue Na3.6(Sb2O3)3(SbS3)(OH)0.6.2.4(H2O) Sample: Synthetic Na analogue
Sabelli, C.; Nakai, I.; Katsura, S.; American Mineralogist 73 (1988) 398–404; doi:

data_9001123
_publ_section_title
;
 Crystal structures of cetineite and its synthetic Na analogue
 Na3.6(Sb2O3)3(SbS3)(OH)0.6.2.4(H2O)
 Sample: Synthetic Na analogue
;
_journal_name_full               'American Mineralogist'
_journal_page_first              398
_journal_page_last               404
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'H3 Na3.61 O12 S3 Sb7'
_chemical_name_mineral           Cetineite
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   14.152
_cell_length_b                   14.152
_cell_length_c                   5.5758
_cell_volume                     967.105
_exptl_crystal_density_diffrn    4.212
_cod_original_formula_sum        'Sb7 Na3.61 S3 O12 H3'
_cod_database_code               9001123
XRD, FTIR, and TEM studies of optically anisotropic grossular garnets Sample: before heating Note: Data was obtained from the ICSD
Allen, F. M.; Buseck, P. R.; American Mineralogist 73 (1988) 568–584; doi:

data_9001124
_publ_section_title
;
 XRD, FTIR, and TEM studies of optically anisotropic grossular garnets
 Sample: before heating
 Note: Data was obtained from the ICSD
;
_journal_name_full               'American Mineralogist'
_journal_page_first              568
_journal_page_last               584
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'Al7.02 Ca9.9 Fe3.08 O48 Si12'
_chemical_name_mineral           Grossular
_space_group_IT_number           2
_symmetry_space_group_name_Hall
'-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)'
_symmetry_space_group_name_H-M   'I -1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.845
_cell_length_b                   11.858
_cell_length_c                   11.846
_cell_formula_units_Z            2
_cell_volume                     1663.866
_database_code_amcsd             0001147
_exptl_crystal_density_diffrn    3.719
_cod_original_cell_volume        1663.865
_cod_original_formula_sum        'Ca9.9 Fe3.08 Al7.02 Si12 O48'
_cod_database_code               9001124
XRD, FTIR, and TEM studies of optically anisotropic grossular garnets Sample: after heating Note: Data was obtained from the ICSD
Allen, F. M.; Buseck, P. R.; American Mineralogist 73 (1988) 568–584; doi:

data_9001125
_publ_section_title
;
 XRD, FTIR, and TEM studies of optically anisotropic grossular garnets
 Sample: after heating
 Note: Data was obtained from the ICSD
;
_journal_name_full               'American Mineralogist'
_journal_page_first              568
_journal_page_last               584
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'Al1.78 Ca2.475 Fe0.745 O12 Si3'
_chemical_name_mineral           Grossular
_space_group_IT_number           2
_symmetry_space_group_name_Hall
'-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)'
_symmetry_space_group_name_H-M   'I -1'
_cell_angle_alpha                90.01
_cell_angle_beta                 89.98
_cell_angle_gamma                90
_cell_length_a                   11.837
_cell_length_b                   11.840
_cell_length_c                   11.836
_cell_formula_units_Z            8
_cell_volume                     1658.816
_database_code_amcsd             0001148
_exptl_crystal_density_diffrn    3.724
_cod_original_formula_sum        'Ca2.475 Fe.745 Al1.78 Si3 O12'
_cod_database_code               9001125
Crystal chemistry of double-ring silicates: Structural, chemical, and optical variation in osumilites Sample: Antarctica
Armbruster, T.; Oberhansli, R.; American Mineralogist 73 (1988) 585–594; doi:

data_9001126
_publ_section_title
;Crystal chemistry of double-ring silicates: Structural, chemical, and optical
 variation in osumilites Sample: Antarctica
;
_journal_name_full               'American Mineralogist'
_journal_page_first              585
_journal_page_last               594
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'Al4.65 Fe0.05 K0.91 Mg1.98 O30 Si10.32'
_chemical_name_mineral           Osumilite
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.086
_cell_length_b                   10.086
_cell_length_c                   14.325
_cell_formula_units_Z            2
_cell_volume                     1262.011
_exptl_crystal_density_diffrn    2.584
_cod_original_formula_sum        'K.91 (Fe.05 Mg1.98) Si10.32 Al4.65 O30'
_cod_database_code               9001126
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-24
;
_database_code_amcsd 0001149
Crystal chemistry of double-ring silicates: Structural, chemical, and optical variation in osumilites Sample: Norway
Armbruster, T.; Oberhansli, R.; American Mineralogist 73 (1988) 585–594; doi:

data_9001127
_publ_section_title
;Crystal chemistry of double-ring silicates: Structural, chemical, and optical
 variation in osumilites Sample: Norway
;
_journal_name_full               'American Mineralogist'
_journal_page_first              585
_journal_page_last               594
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'Al4.59 Fe0.41 K0.9 Mg1.68 O30 Si10.32'
_chemical_name_mineral           Osumilite
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.104
_cell_length_b                   10.104
_cell_length_c                   14.306
_cell_formula_units_Z            2
_cell_volume                     1264.840
_exptl_crystal_density_diffrn    2.606
_cod_original_formula_sum        'K.9 Fe.41 Mg1.68 Si10.32 Al4.59 O30'
_cod_database_code               9001127
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-24
;
_database_code_amcsd 0001150