LMucko/crystallography-open-database huggingface dataset:
X-ray single-crystal diffraction study of pyrope in the temperature range 30-973 K T = 30 K
Pavese, A.; Artioli, G.; Prencipe, M.; American Mineralogist 80 (1995) 457–464; doi:

data_9001684
_publ_section_title
;
 X-ray single-crystal diffraction study of pyrope in the temperature range
 30-973 K
 T = 30 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              457
_journal_page_last               464
_journal_volume                  80
_journal_year                    1995
_chemical_formula_sum            'Al2 Mg3 O12 Si3'
_chemical_name_mineral           Pyrope
_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                   11.439
_cell_length_b                   11.439
_cell_length_c                   11.439
_cell_formula_units_Z            8
_cell_volume                     1496.801
_database_code_amcsd             0001740
_diffrn_ambient_temperature      30
_exptl_crystal_density_diffrn    3.578
_cod_original_formula_sum        'Si3 Al2 Mg3 O12'
_cod_database_code               9001684
X-ray single-crystal diffraction study of pyrope in the temperature range 30-973 K T = 300 K
Pavese, A.; Artioli, G.; Prencipe, M.; American Mineralogist 80 (1995) 457–464; doi:

data_9001685
_publ_section_title
;
 X-ray single-crystal diffraction study of pyrope in the temperature range
 30-973 K
 T = 300 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              457
_journal_page_last               464
_journal_volume                  80
_journal_year                    1995
_chemical_formula_sum            'Al2 Mg3 O12 Si3'
_chemical_name_mineral           Pyrope
_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                   11.4544
_cell_length_b                   11.4544
_cell_length_c                   11.4544
_cell_formula_units_Z            8
_cell_volume                     1502.855
_database_code_amcsd             0001741
_diffrn_ambient_temperature      300
_exptl_crystal_density_diffrn    3.563
_cod_original_formula_sum        'Si3 Al2 Mg3 O12'
_cod_database_code               9001685
X-ray single-crystal diffraction study of pyrope in the temperature range 30-973 K T = 773 K
Pavese, A.; Artioli, G.; Prencipe, M.; American Mineralogist 80 (1995) 457–464; doi:

data_9001686
_publ_section_title
;
 X-ray single-crystal diffraction study of pyrope in the temperature range
 30-973 K
 T = 773 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              457
_journal_page_last               464
_journal_volume                  80
_journal_year                    1995
_chemical_formula_sum            'Al2 Mg3 O12 Si3'
_chemical_name_mineral           Pyrope
_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                   11.5129
_cell_length_b                   11.5129
_cell_length_c                   11.5129
_cell_formula_units_Z            8
_cell_volume                     1525.999
_database_code_amcsd             0001742
_diffrn_ambient_temperature      773
_exptl_crystal_density_diffrn    3.509
_cod_original_formula_sum        'Si3 Al2 Mg3 O12'
_cod_database_code               9001686
X-ray single-crystal diffraction study of pyrope in the temperature range 30-973 K T = 973 K
Pavese, A.; Artioli, G.; Prencipe, M.; American Mineralogist 80 (1995) 457–464; doi:

data_9001687
_publ_section_title
;
 X-ray single-crystal diffraction study of pyrope in the temperature range
 30-973 K
 T = 973 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              457
_journal_page_last               464
_journal_volume                  80
_journal_year                    1995
_chemical_formula_sum            'Al2 Mg3 O12 Si3'
_chemical_name_mineral           Pyrope
_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                   11.5348
_cell_length_b                   11.5348
_cell_length_c                   11.5348
_cell_formula_units_Z            8
_cell_volume                     1534.724
_database_code_amcsd             0001743
_diffrn_ambient_temperature      973
_exptl_crystal_density_diffrn    3.489
_cod_original_formula_sum        'Si3 Al2 Mg3 O12'
_cod_database_code               9001687
The crystal structure of sinkankasite, a complex heteropolyhedral sheet mineral Locality: Barker pegmatite, near Keystone, Pennington County, South Dakota, USA
Burns, P. C.; Hawthorne, F. C.; American Mineralogist 80 (1995) 620–627; doi:

data_9001688
_publ_section_title
;The crystal structure of sinkankasite, a complex heteropolyhedral sheet
 mineral Locality: Barker pegmatite, near Keystone, Pennington County, South
 Dakota, USA
;
_journal_name_full               'American Mineralogist'
_journal_page_first              620
_journal_page_last               627
_journal_volume                  80
_journal_year                    1995
_chemical_compound_source
'Barker pegmatite, near Keystone, Pennington County, South Dakota, USA'
_chemical_formula_sum            'Al H15 Mn O15 P2'
_chemical_name_mineral           Sinkankasite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                108.04
_cell_angle_beta                 99.63
_cell_angle_gamma                98.87
_cell_formula_units_Z            2
_cell_length_a                   9.590
_cell_length_b                   9.818
_cell_length_c                   6.860
_cell_volume                     590.694
_database_code_amcsd             0001744
_exptl_crystal_density_diffrn    2.243
_cod_original_formula_sum        'Mn P2 Al O15 H15'
_cod_database_code               9001688
Crystal structure of hillebrandite: A natural analogue of calcium silicate hydrate (CSH) phases in Portland cement
Dai, Y. S.; Post, J. E.; American Mineralogist 80 (1995) 841–844; doi:

data_9001689
_publ_section_title
;
 Crystal structure of hillebrandite: A natural analogue of calcium silicate
 hydrate (CSH) phases in Portland cement
;
_journal_name_full               'American Mineralogist'
_journal_page_first              841
_journal_page_last               844
_journal_volume                  80
_journal_year                    1995
_chemical_formula_sum            'Ca3 H2 O7.5 Si1.5'
_chemical_name_mineral           Hillebrandite
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.6389
_cell_length_b                   16.311
_cell_length_c                   11.829
_cell_volume                     702.100
_database_code_amcsd             0001745
_exptl_crystal_density_diffrn    2.690
_cod_original_formula_sum        'Ca3 Si1.5 O7.5 H2'
_cod_database_code               9001689
Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by 17O MAS NMR and Rietveld refinement of X-ray diffraction data Sample: RLM445, 1405 C, Mg2TiO4
Millard, R. L.; Peterson, R. C.; Hunter, B. K.; American Mineralogist 80 (1995) 885–896; doi:

data_9001690
_publ_section_title
;Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by
 17O MAS NMR and Rietveld refinement of X-ray diffraction data Sample: RLM445,
 1405 C, Mg2TiO4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              885
_journal_page_last               896
_journal_volume                  80
_journal_year                    1995
_chemical_formula_sum            'Mg2 O4 Ti'
_chemical_name_mineral           Qandilite
_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_formula_units_Z            8
_cell_length_a                   8.44183
_cell_length_b                   8.44183
_cell_length_c                   8.44183
_cell_volume                     601.603
_database_code_amcsd             0001746
_exptl_crystal_density_diffrn    3.544
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ti Mg2) O4'
_cod_database_code               9001690
Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by 17O MAS NMR and Rietveld refinement of X-ray diffraction data Sample: RLM509, 1210 C, Mg2TiO4
Millard, R. L.; Peterson, R. C.; Hunter, B. K.; American Mineralogist 80 (1995) 885–896; doi:

data_9001691
_publ_section_title
;Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by
 17O MAS NMR and Rietveld refinement of X-ray diffraction data Sample: RLM509,
 1210 C, Mg2TiO4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              885
_journal_page_last               896
_journal_volume                  80
_journal_year                    1995
_chemical_formula_sum            'Mg2 O4 Ti'
_chemical_name_mineral           Qandilite
_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_formula_units_Z            8
_cell_length_a                   8.46948
_cell_length_b                   8.46948
_cell_length_c                   8.46948
_cell_volume                     607.534
_database_code_amcsd             0001747
_exptl_crystal_density_diffrn    3.509
_cod_original_cell_volume        607.533
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ti Mg2) O4'
_cod_database_code               9001691
Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by 17O MAS NMR and Rietveld refinement of X-ray diffraction data Sample: RLM526, 555 C, Zn2TiO4
Millard, R. L.; Peterson, R. C.; Hunter, B. K.; American Mineralogist 80 (1995) 885–896; doi:

data_9001692
_publ_section_title
;Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by
 17O MAS NMR and Rietveld refinement of X-ray diffraction data Sample: RLM526,
 555 C, Zn2TiO4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              885
_journal_page_last               896
_journal_volume                  80
_journal_year                    1995
_chemical_formula_sum            'O4 Ti Zn2'
_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_formula_units_Z            8
_cell_length_a                   8.47056
_cell_length_b                   8.47056
_cell_length_c                   8.47056
_cell_volume                     607.766
_database_code_amcsd             0001748
_exptl_crystal_density_diffrn    5.304
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Zn2 Ti O4'
_cod_database_code               9001692
_amcsd_formula_title             Zn2TiO4
Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by 17O MAS NMR and Rietveld refinement of X-ray diffraction data Sample: RLM510, 490 C, Zn2TiO4
Millard, R. L.; Peterson, R. C.; Hunter, B. K.; American Mineralogist 80 (1995) 885–896; doi:

data_9001693
_publ_section_title
;Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by
 17O MAS NMR and Rietveld refinement of X-ray diffraction data Sample: RLM510,
 490 C, Zn2TiO4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              885
_journal_page_last               896
_journal_volume                  80
_journal_year                    1995
_chemical_formula_sum            'O4 Ti Zn2'
_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_formula_units_Z            8
_cell_length_a                   8.4608
_cell_length_b                   8.4608
_cell_length_c                   8.4608
_cell_volume                     605.668
_database_code_amcsd             0001749
_exptl_crystal_density_diffrn    5.322
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Zn2 Ti O4'
_cod_database_code               9001693
_amcsd_formula_title             Zn2TiO4
Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by 17O MAS NMR and Rietveld refinement of X-ray diffraction data Sample: RLM446, Mg2TiO4
Millard, R. L.; Peterson, R. C.; Hunter, B. K.; American Mineralogist 80 (1995) 885–896; doi:

data_9001694
_publ_section_title
;Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by
 17O MAS NMR and Rietveld refinement of X-ray diffraction data Sample: RLM446,
 Mg2TiO4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              885
_journal_page_last               896
_journal_volume                  80
_journal_year                    1995
_chemical_formula_sum            'Mg2 O4 Ti'
_chemical_name_mineral           Qandilite
_space_group_IT_number           91
_symmetry_space_group_name_Hall  'P 4w 2c'
_symmetry_space_group_name_H-M   'P 41 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.97705
_cell_length_b                   5.97705
_cell_length_c                   8.4161
_cell_formula_units_Z            4
_cell_volume                     300.666
_database_code_amcsd             0001750
_exptl_crystal_density_diffrn    3.545
_cod_original_formula_sum        'Mg2 Ti O4'
_cod_database_code               9001694
Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by 17O MAS NMR and Rietveld refinement of X-ray diffraction data Sample: RLM510, Mg2TiO4
Millard, R. L.; Peterson, R. C.; Hunter, B. K.; American Mineralogist 80 (1995) 885–896; doi:

data_9001695
_publ_section_title
;Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by
 17O MAS NMR and Rietveld refinement of X-ray diffraction data Sample: RLM510,
 Mg2TiO4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              885
_journal_page_last               896
_journal_volume                  80
_journal_year                    1995
_chemical_formula_sum            'Mg2 O4 Ti'
_chemical_name_mineral           Qandilite
_space_group_IT_number           91
_symmetry_space_group_name_Hall  'P 4w 2c'
_symmetry_space_group_name_H-M   'P 41 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.00689
_cell_length_b                   6.00689
_cell_length_c                   8.41547
_cell_formula_units_Z            4
_cell_volume                     303.653
_database_code_amcsd             0001751
_exptl_crystal_density_diffrn    3.511
_cod_original_formula_sum        'Mg2 Ti O4'
_cod_database_code               9001695
Crystal structure of P2_1/m ferromagnesian amphibole and the role of cation ordering and composition in the P2_1/m - C2/m transition in cummingtonite Sample: UH1, untreated
Yang, H.; Hirschmann, M. M.; American Mineralogist 80 (1995) 916–922; doi:

data_9001696
_publ_section_title
;
 Crystal structure of P2_1/m ferromagnesian amphibole and the role of cation
 ordering and composition in the P2_1/m - C2/m transition in cummingtonite
 Sample: UH1, untreated
;
_journal_name_full               'American Mineralogist'
_journal_page_first              916
_journal_page_last               922
_journal_volume                  80
_journal_year                    1995
_chemical_formula_sum            'Al0.012 Ca0.086 Fe2.558 Mg4.344 O24 Si8'
_chemical_name_mineral           Cummingtonite
_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                 102.090
_cell_angle_gamma                90
_cell_length_a                   9.5015
_cell_length_b                   18.1289
_cell_length_c                   5.3089
_cell_formula_units_Z            2
_cell_volume                     894.184
_database_code_amcsd             0001752
_exptl_crystal_density_diffrn    3.197
_cod_original_formula_sum        'Fe2.558 Mg4.344 Al.012 Ca.086 Si8 O24'
_cod_database_code               9001696
Crystal structure of P2_1/m ferromagnesian amphibole and the role of cation ordering and composition in the P2_1/m - C2/m transition in cummingtonite Sample: 11a, heat treated at 600 C
Yang, H.; Hirschmann, M. M.; American Mineralogist 80 (1995) 916–922; doi:

data_9001697
_publ_section_title
;
 Crystal structure of P2_1/m ferromagnesian amphibole and the role of cation
 ordering and composition in the P2_1/m - C2/m transition in cummingtonite
 Sample: 11a, heat treated at 600 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              916
_journal_page_last               922
_journal_volume                  80
_journal_year                    1995
_chemical_formula_sum            'Al0.014 Ca0.11 Fe2.622 Mg4.254 O24 Si8'
_chemical_name_mineral           Cummingtonite
_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                 102.009
_cell_angle_gamma                90
_cell_length_a                   9.5048
_cell_length_b                   18.1343
_cell_length_c                   5.3077
_cell_formula_units_Z            2
_cell_volume                     894.829
_database_code_amcsd             0001753
_exptl_crystal_density_diffrn    3.204
_cod_original_formula_sum        'Fe2.622 Mg4.254 Al.014 Ca.11 Si8 O24'
_cod_database_code               9001697
Crystal structure of P2_1/m ferromagnesian amphibole and the role of cation ordering and composition in the P2_1/m - C2/m transition in cummingtonite Sample: 1c, heat treated at 700 C
Yang, H.; Hirschmann, M. M.; American Mineralogist 80 (1995) 916–922; doi:

data_9001698
_publ_section_title
;
 Crystal structure of P2_1/m ferromagnesian amphibole and the role of cation
 ordering and composition in the P2_1/m - C2/m transition in cummingtonite
 Sample: 1c, heat treated at 700 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              916
_journal_page_last               922
_journal_volume                  80
_journal_year                    1995
_chemical_formula_sum            'Al0.014 Ca0.1 Fe2.473 Mg4.423 O24 Si8'
_chemical_name_mineral           Cummingtonite
_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                 102.031
_cell_angle_gamma                90
_cell_length_a                   9.5057
_cell_length_b                   18.1187
_cell_length_c                   5.3059
_cell_formula_units_Z            2
_cell_volume                     893.768
_database_code_amcsd             0001754
_exptl_crystal_density_diffrn    3.191
_cod_original_formula_sum        'Fe2.473 Mg4.423 Al.014 Ca.1 Si8 O24'
_cod_database_code               9001698
Orthopyroxene from the Serra de Mage meteorite: Structure refinement and estimation of C2/c pyroxene contributions to apparent Pbca diffraction violations Sample: OPX SDM N.13, natural
Domeneghetti, M. C.; Molin, G. M.; Stimpfl, M.; Tribaudino, M.; American Mineralogist 80 (1995) 923–929; doi:

data_9001699
_publ_section_title
;
 Orthopyroxene from the Serra de Mage meteorite: Structure refinement and
 estimation of C2/c pyroxene contributions to apparent Pbca diffraction
 violations
 Sample: OPX SDM N.13, natural
;
_journal_name_full               'American Mineralogist'
_journal_page_first              923
_journal_page_last               929
_journal_volume                  80
_journal_year                    1995
_chemical_formula_sum            'Ca0.043 Fe0.807 Mg1.15 O6 Si2'
_chemical_name_mineral           Enstatite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.316
_cell_length_b                   8.907
_cell_length_c                   5.218
_cell_formula_units_Z            8
_cell_volume                     851.268
_database_code_amcsd             0001755
_exptl_crystal_density_diffrn    3.541
_cod_original_formula_sum        'Si2 Mg1.15 Fe.807 Ca.043 O6'
_cod_database_code               9001699
Orthopyroxene from the Serra de Mage meteorite: Structure refinement and estimation of C2/c pyroxene contributions to apparent Pbca diffraction violations Sample: OPX SDM N.7, heated
Domeneghetti, M. C.; Molin, G. M.; Stimpfl, M.; Tribaudino, M.; American Mineralogist 80 (1995) 923–929; doi:

data_9001700
_publ_section_title
;
 Orthopyroxene from the Serra de Mage meteorite: Structure refinement and
 estimation of C2/c pyroxene contributions to apparent Pbca diffraction
 violations
 Sample: OPX SDM N.7, heated
;
_journal_name_full               'American Mineralogist'
_journal_page_first              923
_journal_page_last               929
_journal_volume                  80
_journal_year                    1995
_chemical_formula_sum            'Ca0.043 Fe0.802 Mg1.155 O6 Si2'
_chemical_name_mineral           Enstatite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.320
_cell_length_b                   8.917
_cell_length_c                   5.219
_cell_formula_units_Z            8
_cell_volume                     852.573
_database_code_amcsd             0001756
_exptl_crystal_density_diffrn    3.533
_cod_original_formula_sum        'Si2 Fe.802 Mg1.155 Ca.043 O6'
_cod_database_code               9001700