LMucko/crystallography-open-database huggingface dataset:
The crystal and magnetic structure of Li-aegirine LiFeSi2O6: a temperature-dependent study Sample: T = 298 K Pyroxene
Redhammer, G. J.; Roth, G.; Paulus, W.; Andre, G.; Lottermoser, W.; Amthauer, G.; Treutmann, W.; Koppelhuber-Bitschnau B; Physics and Chemistry of Minerals 28 (2001) 337–346; doi:10.1007/s002690100159

data_9006971
_publ_section_title
;
 The crystal and magnetic structure of Li-aegirine LiFeSi2O6:
 a temperature-dependent study
 Sample: T = 298 K
 Pyroxene
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              337
_journal_page_last               346
_journal_paper_doi               10.1007/s002690100159
_journal_volume                  28
_journal_year                    2001
_chemical_formula_structural     LiFeSi2O6
_chemical_formula_sum            'Fe Li O6 Si2'
_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                 110.12
_cell_angle_gamma                90
_cell_length_a                   9.684
_cell_length_b                   8.661
_cell_length_c                   5.292
_cell_formula_units_Z            4
_cell_volume                     416.770
_database_code_amcsd             0008556
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    3.426
_cod_original_formula_sum        'Li Fe Si2 O6'
_cod_database_code               9006971
_amcsd_formula_title             LiFeSi2O6
Phosphorus oxynitride PON, a silica analogue: structure and compression of the cristobalite-like phase; P-T phase diagram Note: cristobalite structure type
Leger, J. M.; Haines, J.; Chateau, C.; Bocquillon, G.; Schmidt, M. W.; Hull, S.; Gorelli, F.; Lesauze, A.; Marchand, R.; Physics and Chemistry of Minerals 28 (2001) 388–398; doi:10.1007/s002690100161

data_9006972
_publ_section_title
;
 Phosphorus oxynitride PON, a silica analogue: structure and compression
 of the cristobalite-like phase; P-T phase diagram
 Note: cristobalite structure type
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              388
_journal_page_last               398
_journal_paper_doi               10.1007/s002690100161
_journal_volume                  28
_journal_year                    2001
_chemical_formula_structural     PON
_chemical_formula_sum            'N O P'
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.61865
_cell_length_b                   4.61865
_cell_length_c                   6.97882
_cell_formula_units_Z            4
_cell_volume                     148.872
_database_code_amcsd             0008557
_exptl_crystal_density_diffrn    2.721
_cod_original_formula_sum        'P (O N)'
_cod_database_code               9006972
_amcsd_formula_title             PON
Phosphorus oxynitride PON, a silica analogue: structure and compression of the cristobalite-like phase; P-T phase diagram Note: quartz structure type
Leger, J. M.; Haines, J.; Chateau, C.; Bocquillon, G.; Schmidt, M. W.; Hull, S.; Gorelli, F.; Lesauze, A.; Marchand, R.; Physics and Chemistry of Minerals 28 (2001) 388–398; doi:10.1007/s002690100161

data_9006973
_publ_section_title
;
 Phosphorus oxynitride PON, a silica analogue: structure and compression
 of the cristobalite-like phase; P-T phase diagram
 Note: quartz structure type
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              388
_journal_page_last               398
_journal_paper_doi               10.1007/s002690100161
_journal_volume                  28
_journal_year                    2001
_chemical_formula_structural     PON
_chemical_formula_sum            'N O P'
_symmetry_space_group_name_H-M   'P 32 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.757
_cell_length_b                   4.757
_cell_length_c                   5.2460
_cell_formula_units_Z            3
_cell_volume                     102.808
_database_code_amcsd             0008558
_exptl_crystal_density_diffrn    2.955
_cod_original_formula_sum        'P (O N)'
_cod_database_code               9006973
_amcsd_formula_title             PON
Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 203 C
Harrison, R. J.; Redfern, S. A. T.; Physics and Chemistry of Minerals 28 (2001) 399–412; doi:10.1007/s002690100167

data_9006974
_publ_section_title
;
 Short- and long-range ordering in the ilmenite-hematite solid solution
 Sample: ilm60, T = 203 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              399
_journal_page_last               412
_journal_paper_doi               10.1007/s002690100167
_journal_volume                  28
_journal_year                    2001
_chemical_formula_sum            'Fe1.4 O3 Ti0.6'
_chemical_name_mineral           Ilmenite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.07894
_cell_length_b                   5.07894
_cell_length_c                   13.9269
_cell_formula_units_Z            6
_cell_volume                     311.122
_database_code_amcsd             0008559
_diffrn_ambient_temperature      476.15
_exptl_crystal_density_diffrn    4.961
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        '(Fe1.4 Ti.6) O3'
_cod_database_code               9006974
Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 298 C
Harrison, R. J.; Redfern, S. A. T.; Physics and Chemistry of Minerals 28 (2001) 399–412; doi:10.1007/s002690100167

data_9006975
_publ_section_title
;
 Short- and long-range ordering in the ilmenite-hematite solid solution
 Sample: ilm60, T = 298 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              399
_journal_page_last               412
_journal_paper_doi               10.1007/s002690100167
_journal_volume                  28
_journal_year                    2001
_chemical_formula_sum            'Fe1.4 O3 Ti0.6'
_chemical_name_mineral           Ilmenite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.08450
_cell_length_b                   5.08450
_cell_length_c                   13.9353
_cell_formula_units_Z            6
_cell_volume                     311.992
_database_code_amcsd             0008560
_diffrn_ambient_temperature      571.15
_exptl_crystal_density_diffrn    4.947
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        '(Fe1.4 Ti.6) O3'
_cod_database_code               9006975
Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 399 C
Harrison, R. J.; Redfern, S. A. T.; Physics and Chemistry of Minerals 28 (2001) 399–412; doi:10.1007/s002690100167

data_9006976
_publ_section_title
;
 Short- and long-range ordering in the ilmenite-hematite solid solution
 Sample: ilm60, T = 399 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              399
_journal_page_last               412
_journal_paper_doi               10.1007/s002690100167
_journal_volume                  28
_journal_year                    2001
_chemical_formula_sum            'Fe1.4 O3 Ti0.6'
_chemical_name_mineral           Ilmenite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.09101
_cell_length_b                   5.09101
_cell_length_c                   13.9543
_cell_formula_units_Z            6
_cell_volume                     313.218
_database_code_amcsd             0008561
_diffrn_ambient_temperature      672.15
_exptl_crystal_density_diffrn    4.928
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        '(Fe1.4 Ti.6) O3'
_cod_database_code               9006976
Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 498 C
Harrison, R. J.; Redfern, S. A. T.; Physics and Chemistry of Minerals 28 (2001) 399–412; doi:10.1007/s002690100167

data_9006977
_publ_section_title
;
 Short- and long-range ordering in the ilmenite-hematite solid solution
 Sample: ilm60, T = 498 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              399
_journal_page_last               412
_journal_paper_doi               10.1007/s002690100167
_journal_volume                  28
_journal_year                    2001
_chemical_formula_sum            'Fe1.4 O3 Ti0.6'
_chemical_name_mineral           Ilmenite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.09641
_cell_length_b                   5.09641
_cell_length_c                   13.9695
_cell_formula_units_Z            6
_cell_volume                     314.225
_database_code_amcsd             0008562
_diffrn_ambient_temperature      771.15
_exptl_crystal_density_diffrn    4.912
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        '(Fe1.4 Ti.6) O3'
_cod_database_code               9006977
Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 506 C
Harrison, R. J.; Redfern, S. A. T.; Physics and Chemistry of Minerals 28 (2001) 399–412; doi:10.1007/s002690100167

data_9006978
_publ_section_title
;
 Short- and long-range ordering in the ilmenite-hematite solid solution
 Sample: ilm60, T = 506 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              399
_journal_page_last               412
_journal_paper_doi               10.1007/s002690100167
_journal_volume                  28
_journal_year                    2001
_chemical_formula_sum            'Fe1.4 O3 Ti0.6'
_chemical_name_mineral           Ilmenite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.09689
_cell_length_b                   5.09689
_cell_length_c                   13.9709
_cell_formula_units_Z            6
_cell_volume                     314.315
_database_code_amcsd             0008563
_diffrn_ambient_temperature      779.15
_exptl_crystal_density_diffrn    4.910
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        '(Fe1.4 Ti.6) O3'
_cod_database_code               9006978
Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 549 C
Harrison, R. J.; Redfern, S. A. T.; Physics and Chemistry of Minerals 28 (2001) 399–412; doi:10.1007/s002690100167

data_9006979
_publ_section_title
;
 Short- and long-range ordering in the ilmenite-hematite solid solution
 Sample: ilm60, T = 549 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              399
_journal_page_last               412
_journal_paper_doi               10.1007/s002690100167
_journal_volume                  28
_journal_year                    2001
_chemical_formula_sum            'Fe1.4 O3 Ti0.6'
_chemical_name_mineral           Ilmenite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.10042
_cell_length_b                   5.10042
_cell_length_c                   13.9775
_cell_formula_units_Z            6
_cell_volume                     314.900
_database_code_amcsd             0008564
_diffrn_ambient_temperature      822.15
_exptl_crystal_density_diffrn    4.901
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        '(Fe1.4 Ti.6) O3'
_cod_database_code               9006979
Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 598 C
Harrison, R. J.; Redfern, S. A. T.; Physics and Chemistry of Minerals 28 (2001) 399–412; doi:10.1007/s002690100167

data_9006980
_publ_section_title
;
 Short- and long-range ordering in the ilmenite-hematite solid solution
 Sample: ilm60, T = 598 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              399
_journal_page_last               412
_journal_paper_doi               10.1007/s002690100167
_journal_volume                  28
_journal_year                    2001
_chemical_formula_sum            'Fe1.4 O3 Ti0.6'
_chemical_name_mineral           Ilmenite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.10401
_cell_length_b                   5.10401
_cell_length_c                   13.9829
_cell_formula_units_Z            6
_cell_volume                     315.465
_database_code_amcsd             0008565
_diffrn_ambient_temperature      871.15
_exptl_crystal_density_diffrn    4.893
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        '(Fe1.4 Ti.6) O3'
_cod_database_code               9006980
Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 647 C
Harrison, R. J.; Redfern, S. A. T.; Physics and Chemistry of Minerals 28 (2001) 399–412; doi:10.1007/s002690100167

data_9006981
_publ_section_title
;
 Short- and long-range ordering in the ilmenite-hematite solid solution
 Sample: ilm60, T = 647 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              399
_journal_page_last               412
_journal_paper_doi               10.1007/s002690100167
_journal_volume                  28
_journal_year                    2001
_chemical_formula_sum            'Fe1.4 O3 Ti0.6'
_chemical_name_mineral           Ilmenite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.10777
_cell_length_b                   5.10777
_cell_length_c                   13.9886
_cell_formula_units_Z            6
_cell_volume                     316.059
_database_code_amcsd             0008566
_diffrn_ambient_temperature      920.15
_exptl_crystal_density_diffrn    4.883
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        '(Fe1.4 Ti.6) O3'
_cod_database_code               9006981
Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 697 C
Harrison, R. J.; Redfern, S. A. T.; Physics and Chemistry of Minerals 28 (2001) 399–412; doi:10.1007/s002690100167

data_9006982
_publ_section_title
;
 Short- and long-range ordering in the ilmenite-hematite solid solution
 Sample: ilm60, T = 697 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              399
_journal_page_last               412
_journal_paper_doi               10.1007/s002690100167
_journal_volume                  28
_journal_year                    2001
_chemical_formula_sum            'Fe1.4 O3 Ti0.6'
_chemical_name_mineral           Ilmenite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.11145
_cell_length_b                   5.11145
_cell_length_c                   13.9938
_cell_formula_units_Z            6
_cell_volume                     316.632
_database_code_amcsd             0008567
_diffrn_ambient_temperature      970.15
_exptl_crystal_density_diffrn    4.875
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        '(Fe1.4 Ti.6) O3'
_cod_database_code               9006982
Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 721 C
Harrison, R. J.; Redfern, S. A. T.; Physics and Chemistry of Minerals 28 (2001) 399–412; doi:10.1007/s002690100167

data_9006983
_publ_section_title
;
 Short- and long-range ordering in the ilmenite-hematite solid solution
 Sample: ilm60, T = 721 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              399
_journal_page_last               412
_journal_paper_doi               10.1007/s002690100167
_journal_volume                  28
_journal_year                    2001
_chemical_formula_sum            'Fe1.4 O3 Ti0.6'
_chemical_name_mineral           Ilmenite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.11310
_cell_length_b                   5.11310
_cell_length_c                   13.9964
_cell_formula_units_Z            6
_cell_volume                     316.895
_database_code_amcsd             0008568
_diffrn_ambient_temperature      994.15
_exptl_crystal_density_diffrn    4.870
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        '(Fe1.4 Ti.6) O3'
_cod_database_code               9006983
Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 745 C
Harrison, R. J.; Redfern, S. A. T.; Physics and Chemistry of Minerals 28 (2001) 399–412; doi:10.1007/s002690100167

data_9006984
_publ_section_title
;
 Short- and long-range ordering in the ilmenite-hematite solid solution
 Sample: ilm60, T = 745 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              399
_journal_page_last               412
_journal_paper_doi               10.1007/s002690100167
_journal_volume                  28
_journal_year                    2001
_chemical_formula_sum            'Fe1.4 O3 Ti0.6'
_chemical_name_mineral           Ilmenite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.11492
_cell_length_b                   5.11492
_cell_length_c                   13.9982
_cell_formula_units_Z            6
_cell_volume                     317.162
_database_code_amcsd             0008569
_diffrn_ambient_temperature      1018.15
_exptl_crystal_density_diffrn    4.866
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        '(Fe1.4 Ti.6) O3'
_cod_database_code               9006984
Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 769 C
Harrison, R. J.; Redfern, S. A. T.; Physics and Chemistry of Minerals 28 (2001) 399–412; doi:10.1007/s002690100167

data_9006985
_publ_section_title
;
 Short- and long-range ordering in the ilmenite-hematite solid solution
 Sample: ilm60, T = 769 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              399
_journal_page_last               412
_journal_paper_doi               10.1007/s002690100167
_journal_volume                  28
_journal_year                    2001
_chemical_formula_sum            'Fe1.4 O3 Ti0.6'
_chemical_name_mineral           Ilmenite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.11667
_cell_length_b                   5.11667
_cell_length_c                   14.0008
_cell_formula_units_Z            6
_cell_volume                     317.438
_database_code_amcsd             0008570
_diffrn_ambient_temperature      1042.15
_exptl_crystal_density_diffrn    4.862
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        '(Fe1.4 Ti.6) O3'
_cod_database_code               9006985
Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 793 C
Harrison, R. J.; Redfern, S. A. T.; Physics and Chemistry of Minerals 28 (2001) 399–412; doi:10.1007/s002690100167

data_9006986
_publ_section_title
;
 Short- and long-range ordering in the ilmenite-hematite solid solution
 Sample: ilm60, T = 793 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              399
_journal_page_last               412
_journal_paper_doi               10.1007/s002690100167
_journal_volume                  28
_journal_year                    2001
_chemical_formula_sum            'Fe1.4 O3 Ti0.6'
_chemical_name_mineral           Ilmenite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.11842
_cell_length_b                   5.11842
_cell_length_c                   14.0031
_cell_formula_units_Z            6
_cell_volume                     317.707
_database_code_amcsd             0008571
_diffrn_ambient_temperature      1066.15
_exptl_crystal_density_diffrn    4.858
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        '(Fe1.4 Ti.6) O3'
_cod_database_code               9006986
Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 818 C
Harrison, R. J.; Redfern, S. A. T.; Physics and Chemistry of Minerals 28 (2001) 399–412; doi:10.1007/s002690100167

data_9006987
_publ_section_title
;
 Short- and long-range ordering in the ilmenite-hematite solid solution
 Sample: ilm60, T = 818 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              399
_journal_page_last               412
_journal_paper_doi               10.1007/s002690100167
_journal_volume                  28
_journal_year                    2001
_chemical_formula_sum            'Fe1.4 O3 Ti0.6'
_chemical_name_mineral           Ilmenite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.12049
_cell_length_b                   5.12049
_cell_length_c                   14.0057
_cell_formula_units_Z            6
_cell_volume                     318.023
_database_code_amcsd             0008572
_diffrn_ambient_temperature      1091.15
_exptl_crystal_density_diffrn    4.853
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        '(Fe1.4 Ti.6) O3'
_cod_database_code               9006987