LMucko/crystallography-open-database huggingface dataset:
Crystal structures and compressibilities of pyrope and grossular to 60 kbar P = 31 kbar
Hazen, R. M.; Finger, L. W.; American Mineralogist 63 (1978) 297–303; doi:

data_9000619
_publ_section_title
;
 Crystal structures and compressibilities of pyrope and grossular to 60 kbar
 P = 31 kbar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              297
_journal_page_last               303
_journal_volume                  63
_journal_year                    1978
_chemical_compound_source        Synthetic
_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                   11.377
_cell_length_b                   11.377
_cell_length_c                   11.377
_cell_formula_units_Z            8
_cell_volume                     1472.595
_database_code_amcsd             0000631
_diffrn_ambient_pressure         3.1e+06
_exptl_crystal_density_diffrn    3.637
_cod_original_formula_sum        'Mg3 Al2 Si3 O12'
_cod_database_code               9000619
Crystal structures and compressibilities of pyrope and grossular to 60 kbar P = 43 kbar
Hazen, R. M.; Finger, L. W.; American Mineralogist 63 (1978) 297–303; doi:

data_9000620
_publ_section_title
;
 Crystal structures and compressibilities of pyrope and grossular to 60 kbar
 P = 43 kbar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              297
_journal_page_last               303
_journal_volume                  63
_journal_year                    1978
_chemical_compound_source        Synthetic
_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                   11.352
_cell_length_b                   11.352
_cell_length_c                   11.352
_cell_formula_units_Z            8
_cell_volume                     1462.908
_database_code_amcsd             0000632
_diffrn_ambient_pressure         4.3e+06
_exptl_crystal_density_diffrn    3.661
_cod_original_formula_sum        'Mg3 Al2 Si3 O12'
_cod_database_code               9000620
Crystal structures and compressibilities of pyrope and grossular to 60 kbar P = 56 kbar
Hazen, R. M.; Finger, L. W.; American Mineralogist 63 (1978) 297–303; doi:

data_9000621
_publ_section_title
;
 Crystal structures and compressibilities of pyrope and grossular to 60 kbar
 P = 56 kbar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              297
_journal_page_last               303
_journal_volume                  63
_journal_year                    1978
_chemical_compound_source        Synthetic
_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                   11.318
_cell_length_b                   11.318
_cell_length_c                   11.318
_cell_formula_units_Z            8
_cell_volume                     1449.803
_database_code_amcsd             0000633
_diffrn_ambient_pressure         5.6e+06
_exptl_crystal_density_diffrn    3.694
_cod_original_formula_sum        'Mg3 Al2 Si3 O12'
_cod_database_code               9000621
Crystal structures and compressibilities of pyrope and grossular to 60 kbar P = 1 bar
Hazen, R. M.; Finger, L. W.; American Mineralogist 63 (1978) 297–303; doi:

data_9000622
_publ_section_title
;
 Crystal structures and compressibilities of pyrope and grossular to 60 kbar
 P = 1 bar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              297
_journal_page_last               303
_journal_volume                  63
_journal_year                    1978
_chemical_compound_source        'Georgetown, California, USA'
_chemical_formula_sum            'Al2 Ca3 O12 Si3'
_chemical_name_mineral           Grossular
_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                   11.864
_cell_length_b                   11.864
_cell_length_c                   11.864
_cell_formula_units_Z            8
_cell_volume                     1669.911
_database_code_amcsd             0000634
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    3.583
_cod_original_formula_sum        'Ca3 Al2 Si3 O12'
_cod_database_code               9000622
Crystal structures and compressibilities of pyrope and grossular to 60 kbar P = 19 kbar
Hazen, R. M.; Finger, L. W.; American Mineralogist 63 (1978) 297–303; doi:

data_9000623
_publ_section_title
;
 Crystal structures and compressibilities of pyrope and grossular to 60 kbar
 P = 19 kbar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              297
_journal_page_last               303
_journal_volume                  63
_journal_year                    1978
_chemical_compound_source        'Georgetown, California, USA'
_chemical_formula_sum            'Al2 Ca3 O12 Si3'
_chemical_name_mineral           Grossular
_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                   11.795
_cell_length_b                   11.795
_cell_length_c                   11.795
_cell_formula_units_Z            8
_cell_volume                     1640.944
_database_code_amcsd             0000635
_diffrn_ambient_pressure         1.9e+06
_exptl_crystal_density_diffrn    3.647
_cod_original_formula_sum        'Ca3 Al2 Si3 O12'
_cod_database_code               9000623
Crystal structures and compressibilities of pyrope and grossular to 60 kbar P = 35 kbar
Hazen, R. M.; Finger, L. W.; American Mineralogist 63 (1978) 297–303; doi:

data_9000624
_publ_section_title
;
 Crystal structures and compressibilities of pyrope and grossular to 60 kbar
 P = 35 kbar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              297
_journal_page_last               303
_journal_volume                  63
_journal_year                    1978
_chemical_compound_source        'Georgetown, California, USA'
_chemical_formula_sum            'Al2 Ca3 O12 Si3'
_chemical_name_mineral           Grossular
_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                   11.760
_cell_length_b                   11.760
_cell_length_c                   11.760
_cell_formula_units_Z            8
_cell_volume                     1626.380
_database_code_amcsd             0000636
_diffrn_ambient_pressure         3.5e+06
_exptl_crystal_density_diffrn    3.679
_cod_original_formula_sum        'Ca3 Al2 Si3 O12'
_cod_database_code               9000624
Crystal structures and compressibilities of pyrope and grossular to 60 kbar P = 61 kbar
Hazen, R. M.; Finger, L. W.; American Mineralogist 63 (1978) 297–303; doi:

data_9000625
_publ_section_title
;
 Crystal structures and compressibilities of pyrope and grossular to 60 kbar
 P = 61 kbar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              297
_journal_page_last               303
_journal_volume                  63
_journal_year                    1978
_chemical_compound_source        'Georgetown, California, USA'
_chemical_formula_sum            'Al2 Ca3 O12 Si3'
_chemical_name_mineral           Grossular
_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                   11.698
_cell_length_b                   11.698
_cell_length_c                   11.698
_cell_formula_units_Z            8
_cell_volume                     1600.792
_database_code_amcsd             0000637
_diffrn_ambient_pressure         6.1e+06
_exptl_crystal_density_diffrn    3.738
_cod_original_formula_sum        'Ca3 Al2 Si3 O12'
_cod_database_code               9000625
Zektzerite, NaLiZrSi6O15: a silicate with six-tetrahedral-repeat double chains Locality: Miarolitic cavities of the Golden Horn batholith near Washington Pass, North Cascades, Washington, USA
Ghose, S.; Wan, C.; American Mineralogist 63 (1978) 304–310; doi:

data_9000626
_publ_section_title
;Zektzerite, NaLiZrSi6O15: a silicate with six-tetrahedral-repeat double
 chains Locality: Miarolitic cavities of the Golden Horn batholith near
 Washington Pass, North Cascades, Washington, USA
;
_journal_name_full               'American Mineralogist'
_journal_page_first              304
_journal_page_last               310
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum            'Li Na O15 Si6 Zr'
_chemical_name_mineral           Zektzerite
_space_group_IT_number           64
_space_group_name_Hall           '-C 2ac 2'
_space_group_name_H-M_alt        'C m c e'
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c e'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   14.330
_cell_length_b                   17.354
_cell_length_c                   10.164
_cell_formula_units_Z            8
_cell_volume                     2527.612
_exptl_crystal_density_diffrn    2.784
_cod_original_sg_symbol_H-M      'C m c a'
_cod_original_formula_sum        'Na Li Zr Si6 O15'
_cod_database_code               9000626
_database_code_amcsd 0000638
Crystal structure refinement of lawsonite
Baur, W. H.; American Mineralogist 63 (1978) 311–315; doi:

data_9000627
_publ_section_title
;
 Crystal structure refinement of lawsonite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              311
_journal_page_last               315
_journal_volume                  63
_journal_year                    1978
_chemical_compound_source
'Tiburon Peninsula, Marin County, California, USA'
_chemical_formula_sum            'Al2 Ca H8 O10 Si2'
_chemical_name_mineral           Lawsonite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2c'
_symmetry_space_group_name_H-M   'C c m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.795
_cell_length_b                   5.847
_cell_length_c                   13.142
_cell_volume                     675.819
_database_code_amcsd             0000639
_exptl_crystal_density_diffrn    3.128
_cod_original_formula_sum        'Ca Al2 Si2 O10 H8'
_cod_database_code               9000627
The crystal structure of a 3T lepidolite
Brown, B. E.; American Mineralogist 63 (1978) 332–336; doi:

data_9000628
_publ_section_title
;
 The crystal structure of a 3T lepidolite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              332
_journal_page_last               336
_journal_volume                  63
_journal_year                    1978
_chemical_compound_source        'Coolgardie, Australia'
_chemical_formula_sum
'Al1.107 F H1.334 K0.667 Li1.153 Mn0.037 O7.004 Si2.334'
_chemical_name_mineral           Lepidolite
_space_group_IT_number           151
_symmetry_space_group_name_Hall  'P 31 2 (0 0 4)'
_symmetry_space_group_name_H-M   'P 31 1 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.200
_cell_length_b                   5.200
_cell_length_c                   29.76
_cell_volume                     696.900
_database_code_amcsd             0000640
_exptl_crystal_density_diffrn    1.887
_cod_original_formula_sum
'K.667 Li1.153 Al1.107 Mn.037 Si2.334 O7.004 F H1.334'
_cod_database_code               9000628
A revised method of operation of the single-crystal diamond cell and refinement of the structure of NaCl at 32 kbar
Finger, L. W.; King, H. E.; American Mineralogist 63 (1978) 337–342; doi:

data_9000629
_publ_section_title
;A revised method of operation of the single-crystal diamond cell and
 refinement of the structure of NaCl at 32 kbar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              337
_journal_page_last               342
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum            'Cl Na'
_chemical_name_mineral           Halite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.4533
_cell_length_b                   5.4533
_cell_length_c                   5.4533
_cell_formula_units_Z            4
_cell_volume                     162.173
_database_code_amcsd             0000641
_exptl_crystal_density_diffrn    2.394
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Na Cl'
_cod_database_code               9000629
High-temperature structural study of six olivines T = 25 deg C, synthetic Ni2SiO4
Lager, G. A.; Meagher, E. P.; American Mineralogist 63 (1978) 365–377; doi:

data_9000630
_publ_section_title
;
 High-temperature structural study of six olivines
 T = 25 deg C, synthetic Ni2SiO4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              365
_journal_page_last               377
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum            'Ni2 O4 Si'
_chemical_name_mineral           Liebenbergite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.726
_cell_length_b                   10.118
_cell_length_c                   5.913
_cell_formula_units_Z            4
_cell_volume                     282.746
_database_code_amcsd             0000642
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    4.921
_cod_original_formula_sum        'Ni2 Si O4'
_cod_database_code               9000630
High-temperature structural study of six olivines T = 300 deg C, synthetic Ni2SiO4
Lager, G. A.; Meagher, E. P.; American Mineralogist 63 (1978) 365–377; doi:

data_9000631
_publ_section_title
;
 High-temperature structural study of six olivines
 T = 300 deg C, synthetic Ni2SiO4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              365
_journal_page_last               377
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum            'Ni2 O4 Si'
_chemical_name_mineral           Liebenbergite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.744
_cell_length_b                   10.151
_cell_length_c                   5.933
_cell_formula_units_Z            4
_cell_volume                     285.712
_database_code_amcsd             0000643
_diffrn_ambient_temperature      573.15
_exptl_crystal_density_diffrn    4.870
_cod_original_formula_sum        'Ni2 Si O4'
_cod_database_code               9000631
High-temperature structural study of six olivines T = 600 deg C, synthetic Ni2SiO4
Lager, G. A.; Meagher, E. P.; American Mineralogist 63 (1978) 365–377; doi:

data_9000632
_publ_section_title
;
 High-temperature structural study of six olivines
 T = 600 deg C, synthetic Ni2SiO4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              365
_journal_page_last               377
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum            'Ni2 O4 Si'
_chemical_name_mineral           Liebenbergite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.760
_cell_length_b                   10.179
_cell_length_c                   5.951
_cell_formula_units_Z            4
_cell_volume                     288.338
_database_code_amcsd             0000644
_diffrn_ambient_temperature      873.15
_exptl_crystal_density_diffrn    4.825
_cod_original_formula_sum        'Ni2 Si O4'
_cod_database_code               9000632
High-temperature structural study of six olivines T = 900 deg C, synthetic Ni2SiO4
Lager, G. A.; Meagher, E. P.; American Mineralogist 63 (1978) 365–377; doi:

data_9000633
_publ_section_title
;
 High-temperature structural study of six olivines
 T = 900 deg C, synthetic Ni2SiO4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              365
_journal_page_last               377
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum            'Ni2 O4 Si'
_chemical_name_mineral           Liebenbergite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.775
_cell_length_b                   10.216
_cell_length_c                   5.971
_cell_formula_units_Z            4
_cell_volume                     291.274
_database_code_amcsd             0000645
_diffrn_ambient_temperature      1173.15
_exptl_crystal_density_diffrn    4.777
_cod_original_formula_sum        'Ni2 Si O4'
_cod_database_code               9000633
High-temperature structural study of six olivines T = 25 deg C, sample is from Crestmore, California, USA Note: Si-y altered to reproduce reported bond lengths
Lager, G. A.; Meagher, E. P.; American Mineralogist 63 (1978) 365–377; doi:

data_9000634
_publ_section_title
;
 High-temperature structural study of six olivines
 T = 25 deg C, sample is from Crestmore, California, USA
 Note: Si-y altered to reproduce reported bond lengths
;
_journal_name_full               'American Mineralogist'
_journal_page_first              365
_journal_page_last               377
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum            'Ca Fe0.07 Mg0.93 O4 Si'
_chemical_name_mineral           Monticellite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.825
_cell_length_b                   11.111
_cell_length_c                   6.383
_cell_formula_units_Z            4
_cell_volume                     342.196
_database_code_amcsd             0000646
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    3.080
_cod_original_formula_sum        '(Mg.93 Fe.07) Ca Si O4'
_cod_database_code               9000634
High-temperature structural study of six olivines T = 335 deg C, sample is from Crestmore, California, USA
Lager, G. A.; Meagher, E. P.; American Mineralogist 63 (1978) 365–377; doi:

data_9000635
_publ_section_title
;
 High-temperature structural study of six olivines
 T = 335 deg C, sample is from Crestmore, California, USA
;
_journal_name_full               'American Mineralogist'
_journal_page_first              365
_journal_page_last               377
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum            'Ca Fe0.07 Mg0.93 O4 Si'
_chemical_name_mineral           Monticellite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.834
_cell_length_b                   11.147
_cell_length_c                   6.409
_cell_formula_units_Z            4
_cell_volume                     345.346
_database_code_amcsd             0000647
_diffrn_ambient_temperature      608.15
_exptl_crystal_density_diffrn    3.052
_cod_original_formula_sum        '(Mg.93 Fe.07) Ca Si O4'
_cod_database_code               9000635
High-temperature structural study of six olivines T = 615 deg C, sample is from Crestmore, California, USA
Lager, G. A.; Meagher, E. P.; American Mineralogist 63 (1978) 365–377; doi:

data_9000636
_publ_section_title
;
 High-temperature structural study of six olivines
 T = 615 deg C, sample is from Crestmore, California, USA
;
_journal_name_full               'American Mineralogist'
_journal_page_first              365
_journal_page_last               377
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum            'Ca Fe0.07 Mg0.93 O4 Si'
_chemical_name_mineral           Monticellite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.848
_cell_length_b                   11.176
_cell_length_c                   6.436
_cell_formula_units_Z            4
_cell_volume                     348.711
_database_code_amcsd             0000648
_diffrn_ambient_temperature      888.15
_exptl_crystal_density_diffrn    3.022
_cod_original_cell_volume        348.710
_cod_original_formula_sum        '(Mg.93 Fe.07) Ca Si O4'
_cod_database_code               9000636
High-temperature structural study of six olivines T = 795 deg C, sample is from Crestmore, California, USA
Lager, G. A.; Meagher, E. P.; American Mineralogist 63 (1978) 365–377; doi:

data_9000637
_publ_section_title
;
 High-temperature structural study of six olivines
 T = 795 deg C, sample is from Crestmore, California, USA
;
_journal_name_full               'American Mineralogist'
_journal_page_first              365
_journal_page_last               377
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum            'Ca Fe0.07 Mg0.93 O4 Si'
_chemical_name_mineral           Monticellite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.857
_cell_length_b                   11.199
_cell_length_c                   6.454
_cell_formula_units_Z            4
_cell_volume                     351.056
_database_code_amcsd             0000649
_diffrn_ambient_temperature      1068.15
_exptl_crystal_density_diffrn    3.002
_cod_original_formula_sum        '(Mg.93 Fe.07) Ca Si O4'
_cod_database_code               9000637