LMucko/crystallography-open-database huggingface dataset:
An in situ neutron diffraction study of cation disordering in synthetic qandilite Mg2TiO4 at high temperature Sample: First series, T = 559 C
O'Neill H St C; Redfern, S. A. T.; Kesson, S.; Short, S. M.; American Mineralogist 88 (2003) 860–865; doi:

data_9003000
_publ_section_title
;
 An in situ neutron diffraction study of cation disordering in synthetic
 qandilite Mg2TiO4 at high temperature
 Sample: First series, T = 559 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              860
_journal_page_last               865
_journal_volume                  88
_journal_year                    2003
_chemical_formula_structural     Mg2(TiO4)
_chemical_formula_sum            'Mg2 O4 Ti'
_chemical_name_mineral           Qandilite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.4877
_cell_length_b                   8.4877
_cell_length_c                   8.4877
_cell_formula_units_Z            8
_cell_volume                     611.463
_database_code_amcsd             0003089
_diffrn_ambient_temperature      832.15
_exptl_crystal_density_diffrn    3.487
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ti Mg2) O4'
_cod_database_code               9003000
An in situ neutron diffraction study of cation disordering in synthetic qandilite Mg2TiO4 at high temperature Sample: First series, T = 625 C
O'Neill H St C; Redfern, S. A. T.; Kesson, S.; Short, S. M.; American Mineralogist 88 (2003) 860–865; doi:

data_9003001
_publ_section_title
;
 An in situ neutron diffraction study of cation disordering in synthetic
 qandilite Mg2TiO4 at high temperature
 Sample: First series, T = 625 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              860
_journal_page_last               865
_journal_volume                  88
_journal_year                    2003
_chemical_formula_structural     Mg2(TiO4)
_chemical_formula_sum            'Mg2 O4 Ti'
_chemical_name_mineral           Qandilite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.4941
_cell_length_b                   8.4941
_cell_length_c                   8.4941
_cell_formula_units_Z            8
_cell_volume                     612.847
_database_code_amcsd             0003090
_diffrn_ambient_temperature      898.15
_exptl_crystal_density_diffrn    3.479
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ti Mg2) O4'
_cod_database_code               9003001
An in situ neutron diffraction study of cation disordering in synthetic qandilite Mg2TiO4 at high temperature Sample: First series, T = 690 C
O'Neill H St C; Redfern, S. A. T.; Kesson, S.; Short, S. M.; American Mineralogist 88 (2003) 860–865; doi:

data_9003002
_publ_section_title
;
 An in situ neutron diffraction study of cation disordering in synthetic
 qandilite Mg2TiO4 at high temperature
 Sample: First series, T = 690 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              860
_journal_page_last               865
_journal_volume                  88
_journal_year                    2003
_chemical_formula_structural     Mg2(TiO4)
_chemical_formula_sum            'Mg2 O4 Ti'
_chemical_name_mineral           Qandilite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.5008
_cell_length_b                   8.5008
_cell_length_c                   8.5008
_cell_formula_units_Z            8
_cell_volume                     614.298
_database_code_amcsd             0003091
_diffrn_ambient_temperature      963.15
_exptl_crystal_density_diffrn    3.471
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ti Mg2) O4'
_cod_database_code               9003002
An in situ neutron diffraction study of cation disordering in synthetic qandilite Mg2TiO4 at high temperature Sample: First series, T = 756 C
O'Neill H St C; Redfern, S. A. T.; Kesson, S.; Short, S. M.; American Mineralogist 88 (2003) 860–865; doi:

data_9003003
_publ_section_title
;
 An in situ neutron diffraction study of cation disordering in synthetic
 qandilite Mg2TiO4 at high temperature
 Sample: First series, T = 756 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              860
_journal_page_last               865
_journal_volume                  88
_journal_year                    2003
_chemical_formula_structural     Mg2(TiO4)
_chemical_formula_sum            'Mg2 O4 Ti'
_chemical_name_mineral           Qandilite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.5073
_cell_length_b                   8.5073
_cell_length_c                   8.5073
_cell_formula_units_Z            8
_cell_volume                     615.709
_database_code_amcsd             0003092
_diffrn_ambient_temperature      1029.15
_exptl_crystal_density_diffrn    3.463
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ti Mg2) O4'
_cod_database_code               9003003
An in situ neutron diffraction study of cation disordering in synthetic qandilite Mg2TiO4 at high temperature Sample: First series, T = 820 C
O'Neill H St C; Redfern, S. A. T.; Kesson, S.; Short, S. M.; American Mineralogist 88 (2003) 860–865; doi:

data_9003004
_publ_section_title
;
 An in situ neutron diffraction study of cation disordering in synthetic
 qandilite Mg2TiO4 at high temperature
 Sample: First series, T = 820 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              860
_journal_page_last               865
_journal_volume                  88
_journal_year                    2003
_chemical_formula_structural     Mg2(TiO4)
_chemical_formula_sum            'Mg2 O4 Ti'
_chemical_name_mineral           Qandilite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.5140
_cell_length_b                   8.5140
_cell_length_c                   8.5140
_cell_formula_units_Z            8
_cell_volume                     617.165
_database_code_amcsd             0003093
_diffrn_ambient_temperature      1093.15
_exptl_crystal_density_diffrn    3.454
_cod_original_cell_volume        617.164
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ti Mg2) O4'
_cod_database_code               9003004
An in situ neutron diffraction study of cation disordering in synthetic qandilite Mg2TiO4 at high temperature Sample: First series, T = 885 C
O'Neill H St C; Redfern, S. A. T.; Kesson, S.; Short, S. M.; American Mineralogist 88 (2003) 860–865; doi:

data_9003005
_publ_section_title
;
 An in situ neutron diffraction study of cation disordering in synthetic
 qandilite Mg2TiO4 at high temperature
 Sample: First series, T = 885 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              860
_journal_page_last               865
_journal_volume                  88
_journal_year                    2003
_chemical_formula_structural     Mg2(TiO4)
_chemical_formula_sum            'Mg2 O4 Ti'
_chemical_name_mineral           Qandilite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.5208
_cell_length_b                   8.5208
_cell_length_c                   8.5208
_cell_formula_units_Z            8
_cell_volume                     618.644
_database_code_amcsd             0003094
_diffrn_ambient_temperature      1158.15
_exptl_crystal_density_diffrn    3.446
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ti Mg2) O4'
_cod_database_code               9003005
An in situ neutron diffraction study of cation disordering in synthetic qandilite Mg2TiO4 at high temperature Sample: First series, T = 949 C
O'Neill H St C; Redfern, S. A. T.; Kesson, S.; Short, S. M.; American Mineralogist 88 (2003) 860–865; doi:

data_9003006
_publ_section_title
;
 An in situ neutron diffraction study of cation disordering in synthetic
 qandilite Mg2TiO4 at high temperature
 Sample: First series, T = 949 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              860
_journal_page_last               865
_journal_volume                  88
_journal_year                    2003
_chemical_formula_structural     Mg2(TiO4)
_chemical_formula_sum            'Mg2 O4 Ti'
_chemical_name_mineral           Qandilite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.5277
_cell_length_b                   8.5277
_cell_length_c                   8.5277
_cell_formula_units_Z            8
_cell_volume                     620.149
_database_code_amcsd             0003095
_diffrn_ambient_temperature      1222.15
_exptl_crystal_density_diffrn    3.438
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ti Mg2) O4'
_cod_database_code               9003006
An in situ neutron diffraction study of cation disordering in synthetic qandilite Mg2TiO4 at high temperature Sample: First series, T = 1020 C
O'Neill H St C; Redfern, S. A. T.; Kesson, S.; Short, S. M.; American Mineralogist 88 (2003) 860–865; doi:

data_9003007
_publ_section_title
;
 An in situ neutron diffraction study of cation disordering in synthetic
 qandilite Mg2TiO4 at high temperature
 Sample: First series, T = 1020 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              860
_journal_page_last               865
_journal_volume                  88
_journal_year                    2003
_chemical_formula_structural     Mg2(TiO4)
_chemical_formula_sum            'Mg2 O4 Ti'
_chemical_name_mineral           Qandilite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.5353
_cell_length_b                   8.5353
_cell_length_c                   8.5353
_cell_formula_units_Z            8
_cell_volume                     621.808
_database_code_amcsd             0003096
_diffrn_ambient_temperature      1293.15
_exptl_crystal_density_diffrn    3.429
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ti Mg2) O4'
_cod_database_code               9003007
An in situ neutron diffraction study of cation disordering in synthetic qandilite Mg2TiO4 at high temperature Sample: First series, T = 1054 C
O'Neill H St C; Redfern, S. A. T.; Kesson, S.; Short, S. M.; American Mineralogist 88 (2003) 860–865; doi:

data_9003008
_publ_section_title
;
 An in situ neutron diffraction study of cation disordering in synthetic
 qandilite Mg2TiO4 at high temperature
 Sample: First series, T = 1054 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              860
_journal_page_last               865
_journal_volume                  88
_journal_year                    2003
_chemical_formula_structural     Mg2(TiO4)
_chemical_formula_sum            'Mg2 O4 Ti'
_chemical_name_mineral           Qandilite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.5389
_cell_length_b                   8.5389
_cell_length_c                   8.5389
_cell_formula_units_Z            8
_cell_volume                     622.595
_database_code_amcsd             0003097
_diffrn_ambient_temperature      1327.15
_exptl_crystal_density_diffrn    3.424
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ti Mg2) O4'
_cod_database_code               9003008
An in situ neutron diffraction study of cation disordering in synthetic qandilite Mg2TiO4 at high temperature Sample: Second series, T = 100 C
O'Neill H St C; Redfern, S. A. T.; Kesson, S.; Short, S. M.; American Mineralogist 88 (2003) 860–865; doi:

data_9003009
_publ_section_title
;
 An in situ neutron diffraction study of cation disordering in synthetic
 qandilite Mg2TiO4 at high temperature
 Sample: Second series, T = 100 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              860
_journal_page_last               865
_journal_volume                  88
_journal_year                    2003
_chemical_formula_structural     Mg2(TiO4)
_chemical_formula_sum            'Mg2 O4 Ti'
_chemical_name_mineral           Qandilite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.4510
_cell_length_b                   8.4510
_cell_length_c                   8.4510
_cell_formula_units_Z            8
_cell_volume                     603.565
_database_code_amcsd             0003098
_diffrn_ambient_temperature      373.15
_exptl_crystal_density_diffrn    3.532
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Ti Mg2 O4'
_cod_database_code               9003009
An in situ neutron diffraction study of cation disordering in synthetic qandilite Mg2TiO4 at high temperature Sample: Second series, T = 240 C
O'Neill H St C; Redfern, S. A. T.; Kesson, S.; Short, S. M.; American Mineralogist 88 (2003) 860–865; doi:

data_9003010
_publ_section_title
;
 An in situ neutron diffraction study of cation disordering in synthetic
 qandilite Mg2TiO4 at high temperature
 Sample: Second series, T = 240 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              860
_journal_page_last               865
_journal_volume                  88
_journal_year                    2003
_chemical_formula_structural     Mg2(TiO4)
_chemical_formula_sum            'Mg2 O4 Ti'
_chemical_name_mineral           Qandilite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.4561
_cell_length_b                   8.4561
_cell_length_c                   8.4561
_cell_formula_units_Z            8
_cell_volume                     604.659
_database_code_amcsd             0003099
_diffrn_ambient_temperature      513.15
_exptl_crystal_density_diffrn    3.526
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Ti Mg2 O4'
_cod_database_code               9003010
An in situ neutron diffraction study of cation disordering in synthetic qandilite Mg2TiO4 at high temperature Sample: Second series, T = 559 C
O'Neill H St C; Redfern, S. A. T.; Kesson, S.; Short, S. M.; American Mineralogist 88 (2003) 860–865; doi:

data_9003011
_publ_section_title
;
 An in situ neutron diffraction study of cation disordering in synthetic
 qandilite Mg2TiO4 at high temperature
 Sample: Second series, T = 559 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              860
_journal_page_last               865
_journal_volume                  88
_journal_year                    2003
_chemical_formula_structural     Mg2(TiO4)
_chemical_formula_sum            'Mg2 O4 Ti'
_chemical_name_mineral           Qandilite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.4872
_cell_length_b                   8.4872
_cell_length_c                   8.4872
_cell_formula_units_Z            8
_cell_volume                     611.355
_database_code_amcsd             0003100
_diffrn_ambient_temperature      832.15
_exptl_crystal_density_diffrn    3.487
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ti Mg2) O4'
_cod_database_code               9003011
An in situ neutron diffraction study of cation disordering in synthetic qandilite Mg2TiO4 at high temperature Sample: Second series, T = 850 C
O'Neill H St C; Redfern, S. A. T.; Kesson, S.; Short, S. M.; American Mineralogist 88 (2003) 860–865; doi:

data_9003012
_publ_section_title
;
 An in situ neutron diffraction study of cation disordering in synthetic
 qandilite Mg2TiO4 at high temperature
 Sample: Second series, T = 850 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              860
_journal_page_last               865
_journal_volume                  88
_journal_year                    2003
_chemical_formula_structural     Mg2(TiO4)
_chemical_formula_sum            'Mg2 O4 Ti'
_chemical_name_mineral           Qandilite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.5154
_cell_length_b                   8.5154
_cell_length_c                   8.5154
_cell_formula_units_Z            8
_cell_volume                     617.469
_database_code_amcsd             0003101
_diffrn_ambient_temperature      1123.15
_exptl_crystal_density_diffrn    3.453
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ti Mg2) O4'
_cod_database_code               9003012
An in situ neutron diffraction study of cation disordering in synthetic qandilite Mg2TiO4 at high temperature Sample: Second series, T = 912 C
O'Neill H St C; Redfern, S. A. T.; Kesson, S.; Short, S. M.; American Mineralogist 88 (2003) 860–865; doi:

data_9003013
_publ_section_title
;
 An in situ neutron diffraction study of cation disordering in synthetic
 qandilite Mg2TiO4 at high temperature
 Sample: Second series, T = 912 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              860
_journal_page_last               865
_journal_volume                  88
_journal_year                    2003
_chemical_formula_structural     Mg2(TiO4)
_chemical_formula_sum            'Mg2 O4 Ti'
_chemical_name_mineral           Qandilite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.5224
_cell_length_b                   8.5224
_cell_length_c                   8.5224
_cell_formula_units_Z            8
_cell_volume                     618.993
_database_code_amcsd             0003102
_diffrn_ambient_temperature      1185.15
_exptl_crystal_density_diffrn    3.444
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ti Mg2) O4'
_cod_database_code               9003013
An in situ neutron diffraction study of cation disordering in synthetic qandilite Mg2TiO4 at high temperature Sample: Second series, T = 975 C
O'Neill H St C; Redfern, S. A. T.; Kesson, S.; Short, S. M.; American Mineralogist 88 (2003) 860–865; doi:

data_9003014
_publ_section_title
;
 An in situ neutron diffraction study of cation disordering in synthetic
 qandilite Mg2TiO4 at high temperature
 Sample: Second series, T = 975 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              860
_journal_page_last               865
_journal_volume                  88
_journal_year                    2003
_chemical_formula_structural     Mg2(TiO4)
_chemical_formula_sum            'Mg2 O4 Ti'
_chemical_name_mineral           Qandilite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.5287
_cell_length_b                   8.5287
_cell_length_c                   8.5287
_cell_formula_units_Z            8
_cell_volume                     620.367
_database_code_amcsd             0003103
_diffrn_ambient_temperature      1248.15
_exptl_crystal_density_diffrn    3.437
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ti Mg2) O4'
_cod_database_code               9003014
An in situ neutron diffraction study of cation disordering in synthetic qandilite Mg2TiO4 at high temperature Sample: Second series, T = 1039 C
O'Neill H St C; Redfern, S. A. T.; Kesson, S.; Short, S. M.; American Mineralogist 88 (2003) 860–865; doi:

data_9003015
_publ_section_title
;
 An in situ neutron diffraction study of cation disordering in synthetic
 qandilite Mg2TiO4 at high temperature
 Sample: Second series, T = 1039 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              860
_journal_page_last               865
_journal_volume                  88
_journal_year                    2003
_chemical_formula_structural     Mg2(TiO4)
_chemical_formula_sum            'Mg2 O4 Ti'
_chemical_name_mineral           Qandilite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.5367
_cell_length_b                   8.5367
_cell_length_c                   8.5367
_cell_formula_units_Z            8
_cell_volume                     622.114
_database_code_amcsd             0003104
_diffrn_ambient_temperature      1312.15
_exptl_crystal_density_diffrn    3.427
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ti Mg2) O4'
_cod_database_code               9003015