LMucko/crystallography-open-database huggingface dataset:
Temperature dependence of the cation distribution in zinc ferrite (ZnFe2O4) from powder XRD structural refinements Sample: at T = 950 C
O'Neill H St C; European Journal of Mineralogy 4 (1992) 571–580; doi:10.1127/ejm/4/3/0571

data_9005111
_publ_section_title
;
 Temperature dependence of the cation distribution in zinc ferrite
 (ZnFe2O4) from powder XRD structural refinements
 Sample: at T = 950 C
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              571
_journal_page_last               580
_journal_paper_doi               10.1127/ejm/4/3/0571
_journal_volume                  4
_journal_year                    1992
_chemical_formula_sum            'Fe2 O4 Zn'
_chemical_name_mineral           Franklinite
_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_formula_units_Z            8
_cell_length_a                   8.4421
_cell_length_b                   8.4421
_cell_length_c                   8.4421
_cell_volume                     601.660
_database_code_amcsd             0006456
_diffrn_ambient_temperature      1223.15
_exptl_crystal_density_diffrn    5.323
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Fe2 Zn) O4'
_cod_database_code               9005111
Temperature dependence of the cation distribution in zinc ferrite (ZnFe2O4) from powder XRD structural refinements Sample: at T = 1000 C
O'Neill H St C; European Journal of Mineralogy 4 (1992) 571–580; doi:10.1127/ejm/4/3/0571

data_9005112
_publ_section_title
;
 Temperature dependence of the cation distribution in zinc ferrite
 (ZnFe2O4) from powder XRD structural refinements
 Sample: at T = 1000 C
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              571
_journal_page_last               580
_journal_paper_doi               10.1127/ejm/4/3/0571
_journal_volume                  4
_journal_year                    1992
_chemical_formula_sum            'Fe2 O4 Zn'
_chemical_name_mineral           Franklinite
_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_formula_units_Z            8
_cell_length_a                   8.4421
_cell_length_b                   8.4421
_cell_length_c                   8.4421
_cell_volume                     601.660
_database_code_amcsd             0006457
_diffrn_ambient_temperature      1273.15
_exptl_crystal_density_diffrn    5.323
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Fe2 Zn) O4'
_cod_database_code               9005112
Temperature dependence of the cation distribution in zinc ferrite (ZnFe2O4) from powder XRD structural refinements Sample: at T = 1050 C
O'Neill H St C; European Journal of Mineralogy 4 (1992) 571–580; doi:10.1127/ejm/4/3/0571

data_9005113
_publ_section_title
;
 Temperature dependence of the cation distribution in zinc ferrite
 (ZnFe2O4) from powder XRD structural refinements
 Sample: at T = 1050 C
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              571
_journal_page_last               580
_journal_paper_doi               10.1127/ejm/4/3/0571
_journal_volume                  4
_journal_year                    1992
_chemical_formula_sum            'Fe2 O4 Zn'
_chemical_name_mineral           Franklinite
_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_formula_units_Z            8
_cell_length_a                   8.4421
_cell_length_b                   8.4421
_cell_length_c                   8.4421
_cell_volume                     601.660
_database_code_amcsd             0006458
_diffrn_ambient_temperature      1323.15
_exptl_crystal_density_diffrn    5.323
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Fe2 Zn) O4'
_cod_database_code               9005113
Temperature dependence of the cation distribution in zinc ferrite (ZnFe2O4) from powder XRD structural refinements Sample: at T = 1100 C
O'Neill H St C; European Journal of Mineralogy 4 (1992) 571–580; doi:10.1127/ejm/4/3/0571

data_9005114
_publ_section_title
;
 Temperature dependence of the cation distribution in zinc ferrite
 (ZnFe2O4) from powder XRD structural refinements
 Sample: at T = 1100 C
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              571
_journal_page_last               580
_journal_paper_doi               10.1127/ejm/4/3/0571
_journal_volume                  4
_journal_year                    1992
_chemical_formula_sum            'Fe2 O4 Zn'
_chemical_name_mineral           Franklinite
_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_formula_units_Z            8
_cell_length_a                   8.4421
_cell_length_b                   8.4421
_cell_length_c                   8.4421
_cell_volume                     601.660
_database_code_amcsd             0006459
_diffrn_ambient_temperature      1373.15
_exptl_crystal_density_diffrn    5.323
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Fe2 Zn) O4'
_cod_database_code               9005114
Crystal structure of moganite: a new structure type of silica
Miehe, G.; Graetsch, H.; European Journal of Mineralogy 4 (1992) 693–706; doi:

data_9005115
_publ_section_title
;
 Crystal structure of moganite: a new structure type of silica
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              693
_journal_page_last               706
_journal_volume                  4
_journal_year                    1992
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Moganite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.08
_cell_angle_gamma                90
_cell_length_a                   8.758
_cell_length_b                   4.876
_cell_length_c                   10.715
_cell_formula_units_Z            12
_cell_volume                     457.573
_database_code_amcsd             0006460
_exptl_crystal_density_diffrn    2.617
_cod_original_formula_sum        'Si O2'
_cod_database_code               9005115
Katayamalite and baratovite are structurally identical
Baur, W. H.; Kassner, D.; European Journal of Mineralogy 4 (1992) 839–841; doi:

data_9005116
_publ_section_title
;
 Katayamalite and baratovite are structurally identical
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              839
_journal_page_last               841
_journal_volume                  4
_journal_year                    1992
_chemical_formula_sum            'Ca7 F2 K Li3 O36 Si12 Ti2'
_chemical_name_mineral           Baratovite
_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                 112.40
_cell_angle_gamma                90
_cell_length_a                   16.923
_cell_length_b                   9.721
_cell_length_c                   20.909
_cell_formula_units_Z            4
_cell_volume                     3180.168
_database_code_amcsd             0006461
_exptl_crystal_density_diffrn    2.897
_cod_original_formula_sum        'K Li3 Ca7 Ti2 Si12 O36 F2'
_cod_database_code               9005116
Flexibility and distortion of the collapsible framework of NAT topology: the crystal structure of NH4-exchanged natrolite
Stuckenschmidt, E.; Kassner, D.; Joswig, W.; Baur, W. H.; European Journal of Mineralogy 4 (1992) 1229–1240; doi:

data_9005117
_publ_section_title
;
 Flexibility and distortion of the collapsible framework
 of NAT topology: the crystal structure of NH4-exchanged natrolite
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              1229
_journal_page_last               1240
_journal_volume                  4
_journal_year                    1992
_chemical_formula_sum            'Al2 H8 N2 O10 Si3'
_chemical_name_mineral           'Natrolite-NH4 exchanged'
_symmetry_space_group_name_H-M   'C 1 1 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90.0
_cell_length_a                   17.899
_cell_length_b                   18.390
_cell_length_c                   6.529
_cell_formula_units_Z            8
_cell_volume                     2149.103
_database_code_amcsd             0006462
_exptl_crystal_density_diffrn    2.066
_cod_original_formula_sum        'Si3 Al2 O10 N2 H8'
_cod_database_code               9005117
Weinebeneite, CaBe3(PO4)2(OH)2.4H2O, a new mineral species: mineral data and crystal structure
Walter, F.; European Journal of Mineralogy 4 (1992) 1275–1283; doi:

data_9005118
_publ_section_title
;
 Weinebeneite, CaBe3(PO4)2(OH)2.4H2O, a new mineral species: mineral data
 and crystal structure
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              1275
_journal_page_last               1283
_journal_volume                  4
_journal_year                    1992
_chemical_formula_sum            'Be3 Ca H12 O14 P2'
_chemical_name_mineral           Weinebeneite
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.76
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.897
_cell_length_b                   9.707
_cell_length_c                   9.633
_cell_volume                     1106.842
_database_code_amcsd             0006463
_exptl_crystal_density_diffrn    2.191
_cod_original_formula_sum        'P2 Be3 Ca O14 H12'
_cod_database_code               9005118
The behaviour of Mn in amphiboles: Mn in richerite Sample: MR(1)
Oberti, R.; Hawthorne, F. C.; Ungaretti, L.; Cannillo, E.; European Journal of Mineralogy 5 (1993) 43–51; doi:

data_9005119
_publ_section_title
;
 The behaviour of Mn in amphiboles: Mn in richerite
 Sample: MR(1)
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              43
_journal_page_last               51
_journal_volume                  5
_journal_year                    1993
_chemical_formula_sum
'Al0.16 Ca0.764 F0.33 Fe0.24 H1.67 K0.21 Mg4.22 Mn0.802 Na1.574 O23.67 Si7.92'
_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                 104.15
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.891
_cell_length_b                   18.018
_cell_length_c                   5.276
_cell_volume                     911.739
_database_code_amcsd             0006464
_exptl_crystal_density_diffrn    3.090
_cod_original_formula_sum
'Na1.574 K.21 Mg4.22 Fe.24 Al.16 Mn.802 Ca.764 Si7.92 H1.67 O23.67 F.33'
_cod_database_code               9005119
The behaviour of Mn in amphiboles: Mn in richerite Sample: MR(2)
Oberti, R.; Hawthorne, F. C.; Ungaretti, L.; Cannillo, E.; European Journal of Mineralogy 5 (1993) 43–51; doi:

data_9005120
_publ_section_title
;
 The behaviour of Mn in amphiboles: Mn in richerite
 Sample: MR(2)
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              43
_journal_page_last               51
_journal_volume                  5
_journal_year                    1993
_chemical_formula_sum
'Al0.14 Ca0.75 F0.34 Fe0.24 H1.66 K0.2 Mg4.28 Mn0.81 Na1.62 O23.66 Si7.9'
_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                 104.09
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.892
_cell_length_b                   18.027
_cell_length_c                   5.278
_cell_volume                     912.873
_database_code_amcsd             0006465
_exptl_crystal_density_diffrn    3.090
_cod_original_formula_sum
'Na1.62 K.2 Mg4.28 Fe.24 Al.14 Mn.81 Ca.75 Si7.9 H1.66 O23.66 F.34'
_cod_database_code               9005120
The behaviour of Mn in amphiboles: Mn in richerite Sample: MR(3)
Oberti, R.; Hawthorne, F. C.; Ungaretti, L.; Cannillo, E.; European Journal of Mineralogy 5 (1993) 43–51; doi:

data_9005121
_publ_section_title
;
 The behaviour of Mn in amphiboles: Mn in richerite
 Sample: MR(3)
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              43
_journal_page_last               51
_journal_volume                  5
_journal_year                    1993
_chemical_formula_sum
'Al0.2 Ca0.88 F0.3 Fe0.24 H1.7 K0.24 Mg4.28 Mn0.75 Na1.5 O23.7 Si7.84'
_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                 104.23
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.909
_cell_length_b                   18.030
_cell_length_c                   5.278
_cell_volume                     914.030
_database_code_amcsd             0006466
_exptl_crystal_density_diffrn    3.088
_cod_original_cell_volume        914.031
_cod_original_formula_sum
'Na1.5 K.24 Mg4.28 Fe.24 Al.2 Mn.75 Ca.88 Si7.84 H1.7 O23.7 F.3'
_cod_database_code               9005121
The behaviour of Mn in amphiboles: Mn in richerite Sample: MR(4)
Oberti, R.; Hawthorne, F. C.; Ungaretti, L.; Cannillo, E.; European Journal of Mineralogy 5 (1993) 43–51; doi:

data_9005122
_publ_section_title
;
 The behaviour of Mn in amphiboles: Mn in richerite
 Sample: MR(4)
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              43
_journal_page_last               51
_journal_volume                  5
_journal_year                    1993
_chemical_formula_sum
'Al0.12 Ca0.92 F0.35 Fe0.2 H1.65 K0.35 Mg3.97 Mn0.95 Na1.45 O23.65 Si7.94'
_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                 104.40
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.966
_cell_length_b                   18.066
_cell_length_c                   5.279
_cell_volume                     920.601
_database_code_amcsd             0006467
_exptl_crystal_density_diffrn    3.090
_cod_original_formula_sum
'Na1.45 K.35 Mg3.97 Fe.2 Al.12 Mn.95 Ca.92 Si7.94 H1.65 O23.65 F.35'
_cod_database_code               9005122
The behaviour of Mn in amphiboles: Mn in richerite Sample: MR(5) using occupancies from MR(4)
Oberti, R.; Hawthorne, F. C.; Ungaretti, L.; Cannillo, E.; European Journal of Mineralogy 5 (1993) 43–51; doi:

data_9005123
_publ_section_title
;
 The behaviour of Mn in amphiboles: Mn in richerite
 Sample: MR(5) using occupancies from MR(4)
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              43
_journal_page_last               51
_journal_volume                  5
_journal_year                    1993
_chemical_formula_sum
'Al0.12 Ca0.92 F0.35 Fe0.2 H1.65 K0.35 Mg3.97 Mn0.95 Na1.45 O23.65 Si7.94'
_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                 104.36
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.974
_cell_length_b                   18.078
_cell_length_c                   5.282
_cell_volume                     922.641
_database_code_amcsd             0006468
_exptl_crystal_density_diffrn    3.084
_cod_original_formula_sum
'Na1.45 K.35 Mg3.97 Fe.2 Al.12 Mn.95 Ca.92 Si7.94 H1.65 O23.65 F.35'
_cod_database_code               9005123
Andradite crystal chemistry, dynamic X-site disorder and structural strain in silicate garnets Sample: T = 100K
Armbruster, T.; Geiger, C. A.; European Journal of Mineralogy 5 (1993) 59–71; doi:

data_9005124
_publ_section_title
;
 Andradite crystal chemistry, dynamic X-site disorder
 and structural strain in silicate garnets
 Sample: T = 100K
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              59
_journal_page_last               71
_journal_volume                  5
_journal_year                    1993
_chemical_formula_sum            'Ca3 Fe2 O12 Si3'
_chemical_name_mineral           Andradite
_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                   12.051
_cell_length_b                   12.051
_cell_length_c                   12.051
_cell_formula_units_Z            8
_cell_volume                     1750.126
_database_code_amcsd             0006469
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    3.857
_cod_original_formula_sum        'Ca3 Fe2 Si3 O12'
_cod_database_code               9005124
Andradite crystal chemistry, dynamic X-site disorder and structural strain in silicate garnets Sample: T = 200K
Armbruster, T.; Geiger, C. A.; European Journal of Mineralogy 5 (1993) 59–71; doi:

data_9005125
_publ_section_title
;
 Andradite crystal chemistry, dynamic X-site disorder
 and structural strain in silicate garnets
 Sample: T = 200K
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              59
_journal_page_last               71
_journal_volume                  5
_journal_year                    1993
_chemical_formula_sum            'Ca3 Fe2 O12 Si3'
_chemical_name_mineral           Andradite
_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                   12.056
_cell_length_b                   12.056
_cell_length_c                   12.056
_cell_formula_units_Z            8
_cell_volume                     1752.305
_database_code_amcsd             0006470
_diffrn_ambient_temperature      200
_exptl_crystal_density_diffrn    3.853
_cod_original_formula_sum        'Ca3 Fe2 Si3 O12'
_cod_database_code               9005125
Andradite crystal chemistry, dynamic X-site disorder and structural strain in silicate garnets Sample: T = 293K
Armbruster, T.; Geiger, C. A.; European Journal of Mineralogy 5 (1993) 59–71; doi:

data_9005126
_publ_section_title
;
 Andradite crystal chemistry, dynamic X-site disorder
 and structural strain in silicate garnets
 Sample: T = 293K
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              59
_journal_page_last               71
_journal_volume                  5
_journal_year                    1993
_chemical_formula_sum            'Ca3 Fe2 O12 Si3'
_chemical_name_mineral           Andradite
_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                   12.063
_cell_length_b                   12.063
_cell_length_c                   12.063
_cell_formula_units_Z            8
_cell_volume                     1755.359
_database_code_amcsd             0006471
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    3.846
_cod_original_formula_sum        'Ca3 Fe2 Si3 O12'
_cod_database_code               9005126
Andradite crystal chemistry, dynamic X-site disorder and structural strain in silicate garnets Sample: T = 350K
Armbruster, T.; Geiger, C. A.; European Journal of Mineralogy 5 (1993) 59–71; doi:

data_9005127
_publ_section_title
;
 Andradite crystal chemistry, dynamic X-site disorder
 and structural strain in silicate garnets
 Sample: T = 350K
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              59
_journal_page_last               71
_journal_volume                  5
_journal_year                    1993
_chemical_formula_sum            'Ca3 Fe2 O12 Si3'
_chemical_name_mineral           Andradite
_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                   12.068
_cell_length_b                   12.068
_cell_length_c                   12.068
_cell_formula_units_Z            8
_cell_volume                     1757.543
_database_code_amcsd             0006472
_diffrn_ambient_temperature      350
_exptl_crystal_density_diffrn    3.841
_cod_original_formula_sum        'Ca3 Fe2 Si3 O12'
_cod_database_code               9005127
Andradite crystal chemistry, dynamic X-site disorder and structural strain in silicate garnets Sample: T = 500K
Armbruster, T.; Geiger, C. A.; European Journal of Mineralogy 5 (1993) 59–71; doi:

data_9005128
_publ_section_title
;
 Andradite crystal chemistry, dynamic X-site disorder
 and structural strain in silicate garnets
 Sample: T = 500K
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              59
_journal_page_last               71
_journal_volume                  5
_journal_year                    1993
_chemical_formula_sum            'Ca3 Fe2 O12 Si3'
_chemical_name_mineral           Andradite
_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                   12.081
_cell_length_b                   12.081
_cell_length_c                   12.081
_cell_formula_units_Z            8
_cell_volume                     1763.229
_database_code_amcsd             0006473
_diffrn_ambient_temperature      500
_exptl_crystal_density_diffrn    3.829
_cod_original_formula_sum        'Ca3 Fe2 Si3 O12'
_cod_database_code               9005128