LMucko/crystallography-open-database huggingface dataset:
Exsolution relationships in a clinopyroxene of average composition Ca0.43Mn0.69Mg0.82Si2O6: X-ray diffraction and analytical electron microscopy
Gordon, W. A.; Peacor, D. R.; Brown, P. E.; Essene, E. J.; Allard, L. F.; American Mineralogist 66 (1981) 127–141; doi:

data_9000791
_publ_section_title
;Exsolution relationships in a clinopyroxene of average composition
 Ca0.43Mn0.69Mg0.82Si2O6: X-ray diffraction and analytical electron microscopy
;
_journal_name_full               'American Mineralogist'
_journal_page_first              127
_journal_page_last               141
_journal_volume                  66
_journal_year                    1981
_chemical_formula_sum            'Ca0.87 Mg0.94 Mn0.19 O6 Si2'
_chemical_name_mineral           Diopside
_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                 106.44
_cell_angle_gamma                90
_cell_length_a                   9.76
_cell_length_b                   8.93
_cell_length_c                   5.27
_cell_formula_units_Z            4
_cell_volume                     440.538
_database_code_amcsd             0000805
_exptl_crystal_density_diffrn    3.322
_cod_original_formula_sum        'Mg.94 Mn.19 Ca.87 Si2 O6'
_cod_database_code               9000791
Exsolution relationship in a clinopyroxene of average composition Ca0.43Mn0.69Mg0.82Si2O6: X-ray diffraction and analytical electron microscopy
Gordon, W. A.; Peacor, D. R.; Brown, P. E.; Essene, E. J.; Allard, L. F.; American Mineralogist 66 (1981) 127–141; doi:

data_9000792
_publ_section_title
;Exsolution relationship in a clinopyroxene of average composition
 Ca0.43Mn0.69Mg0.82Si2O6: X-ray diffraction and analytical electron microscopy
;
_journal_name_full               'American Mineralogist'
_journal_page_first              127
_journal_page_last               141
_journal_volume                  66
_journal_year                    1981
_chemical_formula_sum            'Mg0.52 Mn0.48 O3 Si'
_chemical_name_mineral           Kanoite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.6
_cell_angle_gamma                90
_cell_length_a                   9.78
_cell_length_b                   8.93
_cell_length_c                   5.32
_cell_formula_units_Z            8
_cell_volume                     440.356
_database_code_amcsd             0000806
_exptl_crystal_density_diffrn    3.472
_cod_original_formula_sum        '(Mg.52 Mn.48) Si O3'
_cod_database_code               9000792
The crystal structure of santaclaraite, CaMn4[Si5O14(OH)](OH)*H2O: The role of hydrogen atoms in the pyroxenoid structure
Ohashi Y; Finger L W; American Mineralogist 66 (1981) 154–168; doi:

data_9000793
_publ_section_title
;The crystal structure of santaclaraite, CaMn4[Si5O14(OH)](OH)*H2O: The role
 of hydrogen atoms in the pyroxenoid structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              154
_journal_page_last               168
_journal_volume                  66
_journal_year                    1981
_chemical_formula_sum            'Ca0.92 H4 Mg0.05 Mn4.03 O17 Si5'
_chemical_name_mineral           Santaclaraite
_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                105.77
_cell_angle_beta                 110.64
_cell_angle_gamma                87.13
_cell_formula_units_Z            4
_cell_length_a                   10.273
_cell_length_b                   11.910
_cell_length_c                   12.001
_cell_volume                     1320.666
_cod_original_formula_sum        'Mn4.03 Ca.92 Mg.05 Si5 O17 H4'
_cod_database_code               9000793
The crystal structure of a third polymorph of Cu5(PO4)2(OH)4 Note: related to pseudomalachite and ludjibaite
Shoemaker, G. L.; Anderson, J. B.; Kostiner, E.; American Mineralogist 66 (1981) 169–175; doi:

data_9000794
_publ_section_title
;
 The crystal structure of a third polymorph of Cu5(PO4)2(OH)4
 Note: related to pseudomalachite and ludjibaite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              169
_journal_page_last               175
_journal_volume                  66
_journal_year                    1981
_chemical_formula_sum            'Cu5 H4 O12 P2'
_chemical_name_mineral           Ludjibaite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                103.62
_cell_angle_beta                 90.35
_cell_angle_gamma                93.02
_cell_formula_units_Z            1
_cell_length_a                   4.445
_cell_length_b                   5.873
_cell_length_c                   8.668
_cell_volume                     219.574
_database_code_amcsd             0000808
_exptl_crystal_density_diffrn    4.354
_cod_original_formula_sum        'Cu5 P2 O12 H4'
_cod_database_code               9000794
A new cation ordering pattern in amesite-2H2
Anderson, C. S.; Bailey, S. W.; American Mineralogist 66 (1981) 185–195; doi:

data_9000795
_publ_section_title
;
 A new cation ordering pattern in amesite-2H2
;
_journal_name_full               'American Mineralogist'
_journal_page_first              185
_journal_page_last               195
_journal_volume                  66
_journal_year                    1981
_chemical_compound_source
'Saranovskoye chromite deposit, North Urals Mountains, USSR'
_chemical_formula_sum            'Al1.989 H4 Mg1.962 O9 Si1.026'
_chemical_name_mineral           Amesite
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_Hall           'C 1'
_space_group_name_H-M_alt        'C 1'
_symmetry_space_group_name_H-M   'C 1'
_cell_angle_alpha                90.1
_cell_angle_beta                 90.3
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.307
_cell_length_b                   9.195
_cell_length_c                   14.067
_cell_volume                     686.429
_database_code_amcsd             0000809
_exptl_crystal_density_diffrn    2.692
_cod_original_formula_sum        'Si1.026 Al1.989 Mg1.962 O9 H4'
_cod_database_code               9000795
Thermal stability of the heulandite-type framework: Crystal structure of the calcium/ammonium form dehydrated at 483K
Mortier, W. J.; Pearce, J. R.; American Mineralogist 66 (1981) 309–314; doi:

data_9000796
_publ_section_title
;
 Thermal stability of the heulandite-type framework: Crystal structure of the
 calcium/ammonium form dehydrated at 483K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              309
_journal_page_last               314
_journal_volume                  66
_journal_year                    1981
_chemical_formula_sum            'Al2.079 Ca0.793 O18 Si6.921'
_chemical_name_mineral           Heulandite-Ca
_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                 113.41
_cell_angle_gamma                90
_cell_length_a                   17.158
_cell_length_b                   17.433
_cell_length_c                   7.388
_cell_formula_units_Z            4
_cell_volume                     2027.960
_database_code_amcsd             0000810
_exptl_crystal_density_diffrn    1.868
_cod_original_formula_sum        'Ca.793 (Si6.921 Al2.079) O18'
_cod_database_code               9000796
High-pressure structural study of diopside P = 1 atm pyroxene
Levien, L.; Prewitt, C. T.; American Mineralogist 66 (1981) 315–323; doi:

data_9000797
_publ_section_title
;
 High-pressure structural study of diopside
 P = 1 atm
 pyroxene
;
_journal_name_full               'American Mineralogist'
_journal_page_first              315
_journal_page_last               323
_journal_volume                  66
_journal_year                    1981
_chemical_formula_sum            'Ca Mg O6 Si2'
_chemical_name_mineral           Diopside
_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                 105.86
_cell_angle_gamma                90
_cell_length_a                   9.7456
_cell_length_b                   8.9198
_cell_length_c                   5.2516
_cell_formula_units_Z            4
_cell_volume                     439.137
_database_code_amcsd             0000811
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    3.275
_cod_original_formula_sum        'Si2 Mg Ca O6'
_cod_database_code               9000797
High-pressure structural study of diopside P = 23.6 kbar pyroxene
Levien, L.; Prewitt, C. T.; American Mineralogist 66 (1981) 315–323; doi:

data_9000798
_publ_section_title
;
 High-pressure structural study of diopside
 P = 23.6 kbar
 pyroxene
;
_journal_name_full               'American Mineralogist'
_journal_page_first              315
_journal_page_last               323
_journal_volume                  66
_journal_year                    1981
_chemical_formula_sum            'Ca Mg O6 Si2'
_chemical_name_mineral           Diopside
_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                 105.57
_cell_angle_gamma                90
_cell_length_a                   9.6809
_cell_length_b                   8.847
_cell_length_c                   5.2169
_cell_formula_units_Z            4
_cell_volume                     430.415
_database_code_amcsd             0000812
_diffrn_ambient_pressure         2.36e+06
_exptl_crystal_density_diffrn    3.342
_cod_original_formula_sum        'Si2 Mg Ca O6'
_cod_database_code               9000798
High-pressure structural study of diopside P = 35.2 kbar pyroxene
Levien, L.; Prewitt, C. T.; American Mineralogist 66 (1981) 315–323; doi:

data_9000799
_publ_section_title
;
 High-pressure structural study of diopside
 P = 35.2 kbar
 pyroxene
;
_journal_name_full               'American Mineralogist'
_journal_page_first              315
_journal_page_last               323
_journal_volume                  66
_journal_year                    1981
_chemical_formula_sum            'Ca Mg O6 Si2'
_chemical_name_mineral           Diopside
_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                 105.49
_cell_angle_gamma                90
_cell_length_a                   9.656
_cell_length_b                   8.813
_cell_length_c                   5.2026
_cell_formula_units_Z            4
_cell_volume                     426.651
_database_code_amcsd             0000813
_diffrn_ambient_pressure         3.52e+06
_exptl_crystal_density_diffrn    3.371
_cod_original_formula_sum        'Si2 Mg Ca O6'
_cod_database_code               9000799
High-pressure structural study of diopside P = 45.5 kbar pyroxene
Levien, L.; Prewitt, C. T.; American Mineralogist 66 (1981) 315–323; doi:

data_9000800
_publ_section_title
;
 High-pressure structural study of diopside
 P = 45.5 kbar
 pyroxene
;
_journal_name_full               'American Mineralogist'
_journal_page_first              315
_journal_page_last               323
_journal_volume                  66
_journal_year                    1981
_chemical_formula_sum            'Ca Mg O6 Si2'
_chemical_name_mineral           Diopside
_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                 105.37
_cell_angle_gamma                90
_cell_length_a                   9.630
_cell_length_b                   8.785
_cell_length_c                   5.1895
_cell_formula_units_Z            4
_cell_volume                     423.327
_database_code_amcsd             0000814
_diffrn_ambient_pressure         4.55e+06
_exptl_crystal_density_diffrn    3.398
_cod_original_formula_sum        'Si2 Mg Ca O6'
_cod_database_code               9000800
High-pressure structural study of diopside P = 53.0 kbar pyroxene
Levien, L.; Prewitt, C. T.; American Mineralogist 66 (1981) 315–323; doi:

data_9000801
_publ_section_title
;
 High-pressure structural study of diopside
 P = 53.0  kbar
 pyroxene
;
_journal_name_full               'American Mineralogist'
_journal_page_first              315
_journal_page_last               323
_journal_volume                  66
_journal_year                    1981
_chemical_formula_sum            'Ca Mg O6 Si2'
_chemical_name_mineral           Diopside
_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                 105.32
_cell_angle_gamma                90
_cell_length_a                   9.612
_cell_length_b                   8.765
_cell_length_c                   5.1793
_cell_formula_units_Z            4
_cell_volume                     420.846
_database_code_amcsd             0000815
_diffrn_ambient_pressure         5.3e+06
_exptl_crystal_density_diffrn    3.418
_cod_original_formula_sum        'Si2 Mg Ca O6'
_cod_database_code               9000801
High-pressure crystal structure and compressibility of coesite P = 1 atm isotropic refinement
Levien, L.; Prewitt, C. T.; American Mineralogist 66 (1981) 324–333; doi:

data_9000802
_publ_section_title
;
 High-pressure crystal structure and compressibility of coesite
 P = 1 atm isotropic refinement
;
_journal_name_full               'American Mineralogist'
_journal_page_first              324
_journal_page_last               333
_journal_volume                  66
_journal_year                    1981
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Coesite
_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                 120.34
_cell_angle_gamma                90
_cell_length_a                   7.1356
_cell_length_b                   12.3692
_cell_length_c                   7.1736
_cell_formula_units_Z            16
_cell_volume                     546.439
_database_code_amcsd             0000816
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    2.921
_cod_original_formula_sum        'Si O2'
_cod_database_code               9000802
High-pressure crystal structure and compressibility of coesite P = 1 atm anisotropic refinement
Levien, L.; Prewitt, C. T.; American Mineralogist 66 (1981) 324–333; doi:

data_9000803
_publ_section_title
;
 High-pressure crystal structure and compressibility of coesite
 P = 1 atm anisotropic refinement
;
_journal_name_full               'American Mineralogist'
_journal_page_first              324
_journal_page_last               333
_journal_volume                  66
_journal_year                    1981
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Coesite
_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                 120.34
_cell_angle_gamma                90
_cell_length_a                   7.1356
_cell_length_b                   12.3692
_cell_length_c                   7.1736
_cell_formula_units_Z            16
_cell_volume                     546.439
_database_code_amcsd             0000817
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    2.921
_cod_original_formula_sum        'Si O2'
_cod_database_code               9000803
High-pressure crystal structure and compressibility of coesite P = 21.8 kbar
Levien, L.; Prewitt, C. T.; American Mineralogist 66 (1981) 324–333; doi:

data_9000804
_publ_section_title
;
 High-pressure crystal structure and compressibility of coesite
 P = 21.8 kbar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              324
_journal_page_last               333
_journal_volume                  66
_journal_year                    1981
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Coesite
_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                 120.53
_cell_angle_gamma                90
_cell_length_a                   7.0692
_cell_length_b                   12.306
_cell_length_c                   7.1462
_cell_formula_units_Z            16
_cell_volume                     535.487
_database_code_amcsd             0000818
_diffrn_ambient_pressure         2.18e+06
_exptl_crystal_density_diffrn    2.981
_cod_original_formula_sum        'Si O2'
_cod_database_code               9000804
High-pressure crystal structure and compressibility of coesite P = 31.5 kbar
Levien, L.; Prewitt, C. T.; American Mineralogist 66 (1981) 324–333; doi:

data_9000805
_publ_section_title
;
 High-pressure crystal structure and compressibility of coesite
 P = 31.5 kbar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              324
_journal_page_last               333
_journal_volume                  66
_journal_year                    1981
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Coesite
_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                 120.610
_cell_angle_gamma                90
_cell_length_a                   7.0407
_cell_length_b                   12.279
_cell_length_c                   7.1342
_cell_formula_units_Z            16
_cell_volume                     530.826
_database_code_amcsd             0000819
_diffrn_ambient_pressure         3.15e+06
_exptl_crystal_density_diffrn    3.007
_cod_original_formula_sum        'Si O2'
_cod_database_code               9000805
High-pressure crystal structure and compressibility of coesite P = 38.7 kbar
Levien, L.; Prewitt, C. T.; American Mineralogist 66 (1981) 324–333; doi:

data_9000806
_publ_section_title
;
 High-pressure crystal structure and compressibility of coesite
 P = 38.7 kbar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              324
_journal_page_last               333
_journal_volume                  66
_journal_year                    1981
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Coesite
_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                 120.66
_cell_angle_gamma                90
_cell_length_a                   7.0213
_cell_length_b                   12.260
_cell_length_c                   7.1252
_cell_formula_units_Z            16
_cell_volume                     527.605
_database_code_amcsd             0000820
_diffrn_ambient_pressure         3.87e+06
_exptl_crystal_density_diffrn    3.026
_cod_original_formula_sum        'Si O2'
_cod_database_code               9000806
High-pressure crystal structure and compressibility of coesite P = 46.0 kbar
Levien, L.; Prewitt, C. T.; American Mineralogist 66 (1981) 324–333; doi:

data_9000807
_publ_section_title
;
 High-pressure crystal structure and compressibility of coesite
 P = 46.0 kbar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              324
_journal_page_last               333
_journal_volume                  66
_journal_year                    1981
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Coesite
_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                 120.7
_cell_angle_gamma                90
_cell_length_a                   7.0042
_cell_length_b                   12.246
_cell_length_c                   7.1177
_cell_formula_units_Z            16
_cell_volume                     524.948
_database_code_amcsd             0000821
_diffrn_ambient_pressure         4.6e+06
_exptl_crystal_density_diffrn    3.041
_cod_original_formula_sum        'Si O2'
_cod_database_code               9000807
High-pressure crystal structure and compressibility of coesite P = 51.9 kbar
Levien, L.; Prewitt, C. T.; American Mineralogist 66 (1981) 324–333; doi:

data_9000808
_publ_section_title
;
 High-pressure crystal structure and compressibility of coesite
 P = 51.9 kbar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              324
_journal_page_last               333
_journal_volume                  66
_journal_year                    1981
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Coesite
_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                 120.74
_cell_angle_gamma                90
_cell_length_a                   6.9897
_cell_length_b                   12.233
_cell_length_c                   7.1112
_cell_formula_units_Z            16
_cell_volume                     522.610
_database_code_amcsd             0000822
_diffrn_ambient_pressure         5.19e+06
_exptl_crystal_density_diffrn    3.055
_cod_original_formula_sum        'Si O2'
_cod_database_code               9000808
Single crystal X-ray refinement of pyrophyllite-1Tc
Lee, J. H.; Guggenheim, S.; American Mineralogist 66 (1981) 350–357; doi:

data_9000809
_publ_section_title
;
 Single crystal X-ray refinement of pyrophyllite-1Tc
;
_journal_name_full               'American Mineralogist'
_journal_page_first              350
_journal_page_last               357
_journal_volume                  66
_journal_year                    1981
_chemical_formula_sum            'Al H O6 Si2'
_chemical_name_mineral           Pyrophyllite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                91.18
_cell_angle_beta                 100.46
_cell_angle_gamma                89.64
_cell_formula_units_Z            4
_cell_length_a                   5.160
_cell_length_b                   8.966
_cell_length_c                   9.347
_cell_volume                     425.157
_database_code_amcsd             0000823
_exptl_crystal_density_diffrn    2.815
_cod_original_formula_sum        'Al Si2 O6 H'
_cod_database_code               9000809