LMucko/crystallography-open-database huggingface dataset:
On the role of Al-Si ordering in the cubic-tetragonal phase transition of leucite Sample is Order model 1
Dove, M. T.; Cool, T.; Palmer, D. C.; Putnis, A.; Salje, E. K. H.; Winkler, B.; American Mineralogist 78 (1993) 486–492; doi:

data_9001519
_publ_section_title
;
 On the role of Al-Si ordering in the cubic-tetragonal phase transition of
 leucite
 Sample is Order model 1
;
_journal_name_full               'American Mineralogist'
_journal_page_first              486
_journal_page_last               492
_journal_volume                  78
_journal_year                    1993
_chemical_formula_sum            'Al K O6 Si2'
_chemical_name_mineral           Leucite
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.931
_cell_length_b                   12.931
_cell_length_c                   13.812
_cell_formula_units_Z            16
_cell_volume                     2309.515
_database_code_amcsd             0001557
_exptl_crystal_density_diffrn    2.511
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_original_formula_sum        'K Si2 Al O6'
_cod_database_code               9001519
On the role of Al-Si ordering in the cubic-tetragonal phase transition of leucite Sample is Order model 2
Dove, M. T.; Cool, T.; Palmer, D. C.; Putnis, A.; Salje, E. K. H.; Winkler, B.; American Mineralogist 78 (1993) 486–492; doi:

data_9001520
_publ_section_title
;
 On the role of Al-Si ordering in the cubic-tetragonal phase transition of
 leucite
 Sample is Order model 2
;
_journal_name_full               'American Mineralogist'
_journal_page_first              486
_journal_page_last               492
_journal_volume                  78
_journal_year                    1993
_chemical_formula_sum            'Al K O6 Si2'
_chemical_name_mineral           Leucite
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.005
_cell_length_b                   13.005
_cell_length_c                   13.765
_cell_formula_units_Z            16
_cell_volume                     2328.075
_database_code_amcsd             0001558
_exptl_crystal_density_diffrn    2.491
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_original_formula_sum        'K (Si2 Al) O6'
_cod_database_code               9001520
High-pressure crystal chemistry of KAlSi3O8 hollandite Pressure = 0.00 GPa
Zhang, J.; Ko, J.; Hazen, R. M.; Prewitt, C. T.; American Mineralogist 78 (1993) 493–499; doi:

data_9001521
_publ_section_title
;
 High-pressure crystal chemistry of KAlSi3O8 hollandite
 Pressure = 0.00 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              493
_journal_page_last               499
_journal_volume                  78
_journal_year                    1993
_chemical_formula_structural     KAlSi3O8
_chemical_formula_sum            'Al K O8 Si3'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.315
_cell_length_b                   9.315
_cell_length_c                   2.723
_cell_formula_units_Z            2
_cell_volume                     236.273
_database_code_amcsd             0001559
_diffrn_ambient_pressure         0
_exptl_crystal_density_diffrn    3.912
_cod_original_formula_sum        'K (Si3 Al) O8'
_cod_database_code               9001521
_amcsd_formula_title             KAlSi3O8
High-pressure crystal chemistry of KAlSi3O8 hollandite Pressure = 1.64 GPa
Zhang, J.; Ko, J.; Hazen, R. M.; Prewitt, C. T.; American Mineralogist 78 (1993) 493–499; doi:

data_9001522
_publ_section_title
;
 High-pressure crystal chemistry of KAlSi3O8 hollandite
 Pressure = 1.64 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              493
_journal_page_last               499
_journal_volume                  78
_journal_year                    1993
_chemical_formula_structural     KAlSi3O8
_chemical_formula_sum            'Al K O8 Si3'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.285
_cell_length_b                   9.285
_cell_length_c                   2.717
_cell_formula_units_Z            2
_cell_volume                     234.236
_database_code_amcsd             0001560
_diffrn_ambient_pressure         1.64e+06
_exptl_crystal_density_diffrn    3.946
_cod_original_formula_sum        'K (Si3 Al) O8'
_cod_database_code               9001522
_amcsd_formula_title             KAlSi3O8
High-pressure crystal chemistry of KAlSi3O8 hollandite Pressure = 2.95 GPa
Zhang, J.; Ko, J.; Hazen, R. M.; Prewitt, C. T.; American Mineralogist 78 (1993) 493–499; doi:

data_9001523
_publ_section_title
;
 High-pressure crystal chemistry of KAlSi3O8 hollandite
 Pressure = 2.95 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              493
_journal_page_last               499
_journal_volume                  78
_journal_year                    1993
_chemical_formula_structural     KAlSi3O8
_chemical_formula_sum            'Al K O8 Si3'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.261
_cell_length_b                   9.261
_cell_length_c                   2.712
_cell_formula_units_Z            2
_cell_volume                     232.598
_database_code_amcsd             0001561
_diffrn_ambient_pressure         2.95e+06
_exptl_crystal_density_diffrn    3.974
_cod_original_formula_sum        'K (Si3 Al) O8'
_cod_database_code               9001523
_amcsd_formula_title             KAlSi3O8
High-pressure crystal chemistry of KAlSi3O8 hollandite Pressure = 3.60 GPa
Zhang, J.; Ko, J.; Hazen, R. M.; Prewitt, C. T.; American Mineralogist 78 (1993) 493–499; doi:

data_9001524
_publ_section_title
;
 High-pressure crystal chemistry of KAlSi3O8 hollandite
 Pressure = 3.60 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              493
_journal_page_last               499
_journal_volume                  78
_journal_year                    1993
_chemical_formula_structural     KAlSi3O8
_chemical_formula_sum            'Al K O8 Si3'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.247
_cell_length_b                   9.247
_cell_length_c                   2.710
_cell_formula_units_Z            2
_cell_volume                     231.724
_database_code_amcsd             0001562
_diffrn_ambient_pressure         3.6e+06
_exptl_crystal_density_diffrn    3.989
_cod_original_formula_sum        'K (Si3 Al) O8'
_cod_database_code               9001524
_amcsd_formula_title             KAlSi3O8
High-pressure crystal chemistry of KAlSi3O8 hollandite Pressure = 4.47 GPa
Zhang, J.; Ko, J.; Hazen, R. M.; Prewitt, C. T.; American Mineralogist 78 (1993) 493–499; doi:

data_9001525
_publ_section_title
;
 High-pressure crystal chemistry of KAlSi3O8 hollandite
 Pressure = 4.47 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              493
_journal_page_last               499
_journal_volume                  78
_journal_year                    1993
_chemical_formula_structural     KAlSi3O8
_chemical_formula_sum            'Al K O8 Si3'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.237
_cell_length_b                   9.237
_cell_length_c                   2.706
_cell_formula_units_Z            2
_cell_volume                     230.882
_database_code_amcsd             0001563
_diffrn_ambient_pressure         4.47e+06
_exptl_crystal_density_diffrn    4.004
_cod_original_formula_sum        'K (Si3 Al) O8'
_cod_database_code               9001525
_amcsd_formula_title             KAlSi3O8
Syntheses, volume, and structural changes of garnets in the pyrope-grossular join: Implications for stability and mixing properties Sample JW12
Ganguly, J.; Cheng, W.; O'Neill H St C; American Mineralogist 78 (1993) 583–593; doi:

data_9001526
_publ_section_title
;
 Syntheses, volume, and structural changes of garnets in the pyrope-grossular
 join: Implications for stability and mixing properties
 Sample JW12
;
_journal_name_full               'American Mineralogist'
_journal_page_first              583
_journal_page_last               593
_journal_volume                  78
_journal_year                    1993
_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                   11.4566
_cell_length_b                   11.4566
_cell_length_c                   11.4566
_cell_formula_units_Z            8
_cell_volume                     1503.721
_database_code_amcsd             0001564
_exptl_crystal_density_diffrn    3.561
_cod_original_formula_sum        'Si3 Al2 Mg3 O12'
_cod_database_code               9001526
Syntheses, volume, and structural changes of garnets in the pyrope-grossular join: Implications for stability and mixing properties Sample JW13
Ganguly, J.; Cheng, W.; O'Neill H St C; American Mineralogist 78 (1993) 583–593; doi:

data_9001527
_publ_section_title
;
 Syntheses, volume, and structural changes of garnets in the pyrope-grossular
 join: Implications for stability and mixing properties
 Sample JW13
;
_journal_name_full               'American Mineralogist'
_journal_page_first              583
_journal_page_last               593
_journal_volume                  78
_journal_year                    1993
_chemical_formula_sum            'Al2 Ca0.588 Mg2.412 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                   11.4520
_cell_length_b                   11.4520
_cell_length_c                   11.4520
_cell_formula_units_Z            8
_cell_volume                     1501.910
_database_code_amcsd             0001565
_exptl_crystal_density_diffrn    3.648
_cod_original_formula_sum        'Si3 Al2 (Mg2.412 Ca.588) O12'
_cod_database_code               9001527
Syntheses, volume, and structural changes of garnets in the pyrope-grossular join: Implications for stability and mixing properties Sample JW28
Ganguly, J.; Cheng, W.; O'Neill H St C; American Mineralogist 78 (1993) 583–593; doi:

data_9001528
_publ_section_title
;
 Syntheses, volume, and structural changes of garnets in the pyrope-grossular
 join: Implications for stability and mixing properties
 Sample JW28
;
_journal_name_full               'American Mineralogist'
_journal_page_first              583
_journal_page_last               593
_journal_volume                  78
_journal_year                    1993
_chemical_formula_sum            'Al2 Ca0.774 Mg2.226 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                   11.5670
_cell_length_b                   11.5670
_cell_length_c                   11.5670
_cell_formula_units_Z            8
_cell_volume                     1547.612
_database_code_amcsd             0001566
_exptl_crystal_density_diffrn    3.565
_cod_original_cell_volume        1547.613
_cod_original_formula_sum        'Si3 Al2 (Mg2.226 Ca.774) O12'
_cod_database_code               9001528
Syntheses, volume, and structural changes of garnets in the pyrope-grossular join: Implications for stability and mixing properties Sample JW22
Ganguly, J.; Cheng, W.; O'Neill H St C; American Mineralogist 78 (1993) 583–593; doi:

data_9001529
_publ_section_title
;
 Syntheses, volume, and structural changes of garnets in the pyrope-grossular
 join: Implications for stability and mixing properties
 Sample JW22
;
_journal_name_full               'American Mineralogist'
_journal_page_first              583
_journal_page_last               593
_journal_volume                  78
_journal_year                    1993
_chemical_formula_sum            'Al2 Ca2.106 Mg0.888 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                   11.7445
_cell_length_b                   11.7445
_cell_length_c                   11.7445
_cell_formula_units_Z            8
_cell_volume                     1619.957
_database_code_amcsd             0001567
_exptl_crystal_density_diffrn    3.577
_cod_original_cell_volume        1619.958
_cod_original_formula_sum        'Si3 Al2 Mg.888 Ca2.106 O12'
_cod_database_code               9001529
Syntheses, volume, and structural changes of garnets in the pyrope-grossular join: Implications for stability and mixing properties Sample JW3
Ganguly, J.; Cheng, W.; O'Neill H St C; American Mineralogist 78 (1993) 583–593; doi:

data_9001530
_publ_section_title
;
 Syntheses, volume, and structural changes of garnets in the pyrope-grossular
 join: Implications for stability and mixing properties
 Sample JW3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              583
_journal_page_last               593
_journal_volume                  78
_journal_year                    1993
_chemical_formula_sum            'Al2 Ca2.391 Mg0.609 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                   11.7817
_cell_length_b                   11.7817
_cell_length_c                   11.7817
_cell_formula_units_Z            8
_cell_volume                     1635.400
_database_code_amcsd             0001568
_exptl_crystal_density_diffrn    3.581
_cod_original_formula_sum        'Si3 Al2 (Mg.609 Ca2.391) O12'
_cod_database_code               9001530
Syntheses, volume, and structural changes of garnets in the pyrope-grossular join: Implications for stability and mixing properties Sample JW15
Ganguly, J.; Cheng, W.; O'Neill H St C; American Mineralogist 78 (1993) 583–593; doi:

data_9001531
_publ_section_title
;
 Syntheses, volume, and structural changes of garnets in the pyrope-grossular
 join: Implications for stability and mixing properties
 Sample JW15
;
_journal_name_full               'American Mineralogist'
_journal_page_first              583
_journal_page_last               593
_journal_volume                  78
_journal_year                    1993
_chemical_formula_sum            'Al2 Ca2.547 Mg0.453 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                   11.8063
_cell_length_b                   11.8063
_cell_length_c                   11.8063
_cell_formula_units_Z            8
_cell_volume                     1645.665
_database_code_amcsd             0001569
_exptl_crystal_density_diffrn    3.578
_cod_original_formula_sum        'Si3 Al2 (Mg.453 Ca2.547) O12'
_cod_database_code               9001531
Syntheses, volume, and structural changes of garnets in the pyrope-grossular join: Implications for stability and mixing properties Sample JW11
Ganguly, J.; Cheng, W.; O'Neill H St C; American Mineralogist 78 (1993) 583–593; doi:

data_9001532
_publ_section_title
;
 Syntheses, volume, and structural changes of garnets in the pyrope-grossular
 join: Implications for stability and mixing properties
 Sample JW11
;
_journal_name_full               'American Mineralogist'
_journal_page_first              583
_journal_page_last               593
_journal_volume                  78
_journal_year                    1993
_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                   11.8515
_cell_length_b                   11.8515
_cell_length_c                   11.8515
_cell_formula_units_Z            8
_cell_volume                     1664.639
_database_code_amcsd             0001570
_exptl_crystal_density_diffrn    3.595
_cod_original_cell_volume        1664.638
_cod_original_formula_sum        'Si3 Al2 Ca3 O12'
_cod_database_code               9001532
Crystal structures of the body-centered tetragonal tectosilicates: K1.14Mg0.57Si1.43O4, K1.10Zn0.55Si1.45O4, and K1.11Fe1.11Si0.89O4 Sample: Mg-rich phase
Dollase, W. A.; Ross, C. R.; American Mineralogist 78 (1993) 627–632; doi:

data_9001533
_publ_section_title
;
 Crystal structures of the body-centered tetragonal tectosilicates:
 K1.14Mg0.57Si1.43O4, K1.10Zn0.55Si1.45O4, and K1.11Fe1.11Si0.89O4
 Sample: Mg-rich phase
;
_journal_name_full               'American Mineralogist'
_journal_page_first              627
_journal_page_last               632
_journal_volume                  78
_journal_year                    1993
_chemical_formula_sum            'K2.28 Mg1.14 O8 Si2.86'
_chemical_name_mineral           BCTT
_space_group_IT_number           107
_symmetry_space_group_name_Hall  'I 4 -2'
_symmetry_space_group_name_H-M   'I 4 m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.957
_cell_length_b                   8.957
_cell_length_c                   5.281
_cell_formula_units_Z            2
_cell_volume                     423.683
_database_code_amcsd             0001571
_exptl_crystal_density_diffrn    2.549
_cod_original_formula_sum        'K2.28 (Mg1.14 Si2.86) O8'
_cod_database_code               9001533
_amcsd_formula_title             BCTT
Crystal structures of the body-centered tetragonal tectosilicates: K1.14Mg0.57Si1.43O4, K1.10Zn0.55Si1.45O4, and K1.11Fe1.11Si0.89O4 Sample: Zn-rich phase
Dollase, W. A.; Ross, C. R.; American Mineralogist 78 (1993) 627–632; doi:

data_9001534
_publ_section_title
;
 Crystal structures of the body-centered tetragonal tectosilicates:
 K1.14Mg0.57Si1.43O4, K1.10Zn0.55Si1.45O4, and K1.11Fe1.11Si0.89O4
 Sample: Zn-rich phase
;
_journal_name_full               'American Mineralogist'
_journal_page_first              627
_journal_page_last               632
_journal_volume                  78
_journal_year                    1993
_chemical_formula_sum            'K2.2 O8 Si2.9 Zn1.1'
_chemical_name_mineral           BCTT
_space_group_IT_number           107
_symmetry_space_group_name_Hall  'I 4 -2'
_symmetry_space_group_name_H-M   'I 4 m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.939
_cell_length_b                   8.939
_cell_length_c                   5.246
_cell_formula_units_Z            2
_cell_volume                     419.185
_database_code_amcsd             0001572
_exptl_crystal_density_diffrn    2.911
_cod_original_formula_sum        'K2.2 (Zn1.1 Si2.9) O8'
_cod_database_code               9001534
_amcsd_formula_title             BCTT
Crystal structures of the body-centered tetragonal tectosilicates: K1.14Mg0.57Si1.43O4, K1.10Zn0.55Si1.45O4, and K1.11Fe1.11Si0.89O4 Sample: Fe-rich phase
Dollase, W. A.; Ross, C. R.; American Mineralogist 78 (1993) 627–632; doi:

data_9001535
_publ_section_title
;
 Crystal structures of the body-centered tetragonal tectosilicates:
 K1.14Mg0.57Si1.43O4, K1.10Zn0.55Si1.45O4, and K1.11Fe1.11Si0.89O4
 Sample: Fe-rich phase
;
_journal_name_full               'American Mineralogist'
_journal_page_first              627
_journal_page_last               632
_journal_volume                  78
_journal_year                    1993
_chemical_formula_sum            'Fe2.22 K2.22 O8 Si1.78'
_chemical_name_mineral           BCTT
_space_group_IT_number           107
_symmetry_space_group_name_Hall  'I 4 -2'
_symmetry_space_group_name_H-M   'I 4 m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.102
_cell_length_b                   9.102
_cell_length_c                   5.341
_cell_formula_units_Z            2
_cell_volume                     442.483
_database_code_amcsd             0001573
_exptl_crystal_density_diffrn    2.918
_cod_original_formula_sum        'K2.22 (Fe2.22 Si1.78) O8'
_cod_database_code               9001535
_amcsd_formula_title             BCTT
Site occupancies in monoclinic amphiboles: Rietveld structure refinement of synthetic magnesium cobalt potassium richterite Sample: KNi0 Atomic parameters from ICSD
Della Ventura, G.; Robert, J.-L.; Raudsepp, M.; Hawthorne, F. C.; American Mineralogist 78 (1993) 633–640; doi:

data_9001536
_publ_section_title
;
 Site occupancies in monoclinic amphiboles: Rietveld structure refinement of
 synthetic magnesium cobalt potassium richterite
 Sample: KNi0
 Atomic parameters from ICSD
;
_journal_name_full               'American Mineralogist'
_journal_page_first              633
_journal_page_last               640
_journal_volume                  78
_journal_year                    1993
_chemical_formula_sum            'Ca H2 K Mg5 Na O24 Si8'
_chemical_name_mineral           Richterite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.832
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.0547
_cell_length_b                   17.997
_cell_length_c                   5.2746
_cell_volume                     922.660
_database_code_amcsd             0001574
_exptl_crystal_density_diffrn    3.003
_cod_original_formula_sum        'Si8 Mg5 (Na Ca) K O24 H2'
_cod_database_code               9001536