LMucko/crystallography-open-database huggingface dataset:
The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in richterite Sample: R(3) Potassium-fluor-richterite
Oberti, R.; Ungaretti, L.; Cannillo, E.; Hawthorne, F. C.; European Journal of Mineralogy 4 (1992) 425–439; doi:

data_9005095
_publ_section_title
;The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in
 richterite Sample: R(3) Potassium-fluor-richterite
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              425
_journal_page_last               439
_journal_volume                  4
_journal_year                    1992
_chemical_formula_sum
;Al0.018 Ca1.098 F1.263 Fe0.012 H0.737 K0.724 Mg4.983 Mn0.004 Na1.172 O22.737
 Si7.887 Ti0.002
;
_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                 104.81
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.970
_cell_length_b                   17.985
_cell_length_c                   5.273
_cell_volume                     914.093
_database_code_amcsd             0006440
_exptl_crystal_density_diffrn    3.023
_cod_original_formula_sum
;O22.737 (F1.263 Na1.172) K.724 Fe.012 Mg4.983 Mn.004 Ca1.098 Si7.887 Al.018
 Ti.002 H.737
;
_cod_database_code               9005095
The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in richterite Sample: R(5) Potassium-fluor-richterite
Oberti, R.; Ungaretti, L.; Cannillo, E.; Hawthorne, F. C.; European Journal of Mineralogy 4 (1992) 425–439; doi:

data_9005096
_publ_section_title
;The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in
 richterite Sample: R(5) Potassium-fluor-richterite
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              425
_journal_page_last               439
_journal_volume                  4
_journal_year                    1992
_chemical_formula_sum
;Al0.08 Ca0.966 F0.664 Fe0.583 H1.336 K0.772 Mg3.889 Mn0.01 Na1.173 O23.336
 Si7.73 Ti0.708
;
_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                 104.72
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.948
_cell_length_b                   18.025
_cell_length_c                   5.281
_cell_volume                     915.871
_database_code_amcsd             0006441
_exptl_crystal_density_diffrn    3.133
_cod_original_formula_sum
;O23.336 (F.664 Na1.173) K.772 Ti.708 Fe.583 Mg3.889 Mn.01 Ca.966 Si7.73 Al.08
 H1.336
;
_cod_database_code               9005096
The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in richterite Sample: R(6) Potassium-fluor-richterite
Oberti, R.; Ungaretti, L.; Cannillo, E.; Hawthorne, F. C.; European Journal of Mineralogy 4 (1992) 425–439; doi:

data_9005097
_publ_section_title
;The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in
 richterite Sample: R(6) Potassium-fluor-richterite
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              425
_journal_page_last               439
_journal_volume                  4
_journal_year                    1992
_chemical_formula_sum
;Al0.085 Ca0.97 F0.719 Fe0.543 H1.281 K0.777 Mg3.964 Mn0.016 Na1.199 O23.281
 Si7.72 Ti0.672
;
_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                 104.76
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.950
_cell_length_b                   18.035
_cell_length_c                   5.284
_cell_volume                     916.915
_database_code_amcsd             0006442
_exptl_crystal_density_diffrn    3.126
_cod_original_formula_sum
;O23.281 (F.719 Na1.199) K.777 Ti.672 Fe.543 Mg3.964 Mn.016 Ca.97 Si7.72
 Al.085 H1.281
;
_cod_database_code               9005097
The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in richterite Sample: R(7) Potassium-fluor-richterite
Oberti, R.; Ungaretti, L.; Cannillo, E.; Hawthorne, F. C.; European Journal of Mineralogy 4 (1992) 425–439; doi:

data_9005098
_publ_section_title
;The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in
 richterite Sample: R(7) Potassium-fluor-richterite
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              425
_journal_page_last               439
_journal_volume                  4
_journal_year                    1992
_chemical_formula_sum
;Al0.053 Ca1.014 F1.383 Fe0.292 H0.617 K0.986 Mg4.65 Mn0.006 Na0.963 O22.617
 Si7.677 Ti0.32
;
_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                 104.96
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.020
_cell_length_b                   18.026
_cell_length_c                   5.282
_cell_volume                     921.702
_database_code_amcsd             0006443
_exptl_crystal_density_diffrn    3.070
_cod_original_formula_sum
;O22.617 (F1.383 K.986) Ti.32 Fe.292 Mg4.65 Mn.006 Ca1.014 Na.963 Si7.677
 Al.053 H.617
;
_cod_database_code               9005098
The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in richterite Sample: R(8) Potassium-fluor-richterite
Oberti, R.; Ungaretti, L.; Cannillo, E.; Hawthorne, F. C.; European Journal of Mineralogy 4 (1992) 425–439; doi:

data_9005099
_publ_section_title
;The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in
 richterite Sample: R(8) Potassium-fluor-richterite
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              425
_journal_page_last               439
_journal_volume                  4
_journal_year                    1992
_chemical_formula_sum
;Al0.062 Ca1.026 F1.444 Fe0.295 H0.556 K Mg4.656 Mn0.007 Na0.935 O22.556
 Si7.58 Ti0.399
;
_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                 105.01
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.022
_cell_length_b                   18.029
_cell_length_c                   5.284
_cell_volume                     922.173
_database_code_amcsd             0006444
_exptl_crystal_density_diffrn    3.077
_cod_original_formula_sum
;O22.556 (F1.444 K) Ti.399 Fe.295 Mg4.656 Mn.007 Ca1.026 Na.935 Si7.58 Al.062
 H.556
;
_cod_database_code               9005099
The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in richterite Sample: R(9) Potassium-fluor-richterite
Oberti, R.; Ungaretti, L.; Cannillo, E.; Hawthorne, F. C.; European Journal of Mineralogy 4 (1992) 425–439; doi:

data_9005100
_publ_section_title
;The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in
 richterite Sample: R(9) Potassium-fluor-richterite
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              425
_journal_page_last               439
_journal_volume                  4
_journal_year                    1992
_chemical_formula_sum
;Al0.064 Ca1.02 F1.466 Fe0.3 H0.532 K0.996 Mg4.65 Mn0.005 Na0.934 O22.532
 Si7.536 Ti0.419
;
_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                 104.98
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.025
_cell_length_b                   18.034
_cell_length_c                   5.286
_cell_volume                     923.183
_database_code_amcsd             0006445
_exptl_crystal_density_diffrn    3.071
_cod_original_formula_sum
;O22.532 F1.466 K.996 Ti.419 Fe.3 Mg4.65 Mn.005 Ca1.02 Na.934 Si7.536 Al.064
 H.532
;
_cod_database_code               9005100
The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in richterite Sample: R(12) Potassium-fluor-richterite Note: z-coordinate of O2 corrected
Oberti, R.; Ungaretti, L.; Cannillo, E.; Hawthorne, F. C.; European Journal of Mineralogy 4 (1992) 425–439; doi:

data_9005101
_publ_section_title
;The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in
 richterite Sample: R(12) Potassium-fluor-richterite Note: z-coordinate of O2
 corrected
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              425
_journal_page_last               439
_journal_volume                  4
_journal_year                    1992
_chemical_formula_sum
'Al0.077 Ca1.053 Fe0.323 H2 K0.969 Mg4.641 Mn0.005 Na0.919 O24 Si7.565 Ti0.388'
_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                 105.04
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.028
_cell_length_b                   18.039
_cell_length_c                   5.289
_cell_volume                     923.980
_database_code_amcsd             0006446
_exptl_crystal_density_diffrn    3.060
_cod_original_formula_sum
'O24 K.969 Ti.388 Fe.323 Mg4.641 Mn.005 Ca1.053 Na.919 Si7.565 Al.077 H2'
_cod_database_code               9005101
Temperature dependence of the cation distribution in zinc ferrite (ZnFe2O4) from powder XRD structural refinements Sample: at T = 500 C
O'Neill H St C; European Journal of Mineralogy 4 (1992) 571–580; doi:10.1127/ejm/4/3/0571

data_9005102
_publ_section_title
;
 Temperature dependence of the cation distribution in zinc ferrite
 (ZnFe2O4) from powder XRD structural refinements
 Sample: at T = 500 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             0006447
_diffrn_ambient_temperature      773.15
_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               9005102
Temperature dependence of the cation distribution in zinc ferrite (ZnFe2O4) from powder XRD structural refinements Sample: at T = 550 C
O'Neill H St C; European Journal of Mineralogy 4 (1992) 571–580; doi:10.1127/ejm/4/3/0571

data_9005103
_publ_section_title
;
 Temperature dependence of the cation distribution in zinc ferrite
 (ZnFe2O4) from powder XRD structural refinements
 Sample: at T = 550 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             0006448
_diffrn_ambient_temperature      823.15
_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               9005103
Temperature dependence of the cation distribution in zinc ferrite (ZnFe2O4) from powder XRD structural refinements Sample: at T = 600 C
O'Neill H St C; European Journal of Mineralogy 4 (1992) 571–580; doi:10.1127/ejm/4/3/0571

data_9005104
_publ_section_title
;
 Temperature dependence of the cation distribution in zinc ferrite
 (ZnFe2O4) from powder XRD structural refinements
 Sample: at T = 600 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             0006449
_diffrn_ambient_temperature      873.15
_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               9005104
Temperature dependence of the cation distribution in zinc ferrite (ZnFe2O4) from powder XRD structural refinements Sample: at T = 650 C
O'Neill H St C; European Journal of Mineralogy 4 (1992) 571–580; doi:10.1127/ejm/4/3/0571

data_9005105
_publ_section_title
;
 Temperature dependence of the cation distribution in zinc ferrite
 (ZnFe2O4) from powder XRD structural refinements
 Sample: at T = 650 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             0006450
_diffrn_ambient_temperature      923.15
_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               9005105
Temperature dependence of the cation distribution in zinc ferrite (ZnFe2O4) from powder XRD structural refinements Sample: at T = 700 C
O'Neill H St C; European Journal of Mineralogy 4 (1992) 571–580; doi:10.1127/ejm/4/3/0571

data_9005106
_publ_section_title
;
 Temperature dependence of the cation distribution in zinc ferrite
 (ZnFe2O4) from powder XRD structural refinements
 Sample: at T = 700 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             0006451
_diffrn_ambient_temperature      973.15
_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               9005106
Temperature dependence of the cation distribution in zinc ferrite (ZnFe2O4) from powder XRD structural refinements Sample: at T = 750 C
O'Neill H St C; European Journal of Mineralogy 4 (1992) 571–580; doi:10.1127/ejm/4/3/0571

data_9005107
_publ_section_title
;
 Temperature dependence of the cation distribution in zinc ferrite
 (ZnFe2O4) from powder XRD structural refinements
 Sample: at T = 750 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             0006452
_diffrn_ambient_temperature      1023.15
_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               9005107
Temperature dependence of the cation distribution in zinc ferrite (ZnFe2O4) from powder XRD structural refinements Sample: at T = 800 C
O'Neill H St C; European Journal of Mineralogy 4 (1992) 571–580; doi:10.1127/ejm/4/3/0571

data_9005108
_publ_section_title
;
 Temperature dependence of the cation distribution in zinc ferrite
 (ZnFe2O4) from powder XRD structural refinements
 Sample: at T = 800 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             0006453
_diffrn_ambient_temperature      1073.15
_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               9005108
Temperature dependence of the cation distribution in zinc ferrite (ZnFe2O4) from powder XRD structural refinements Sample: at T = 850 C
O'Neill H St C; European Journal of Mineralogy 4 (1992) 571–580; doi:10.1127/ejm/4/3/0571

data_9005109
_publ_section_title
;
 Temperature dependence of the cation distribution in zinc ferrite
 (ZnFe2O4) from powder XRD structural refinements
 Sample: at T = 850 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             0006454
_diffrn_ambient_temperature      1123.15
_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               9005109
Temperature dependence of the cation distribution in zinc ferrite (ZnFe2O4) from powder XRD structural refinements Sample: at T = 900 C
O'Neill H St C; European Journal of Mineralogy 4 (1992) 571–580; doi:10.1127/ejm/4/3/0571

data_9005110
_publ_section_title
;
 Temperature dependence of the cation distribution in zinc ferrite
 (ZnFe2O4) from powder XRD structural refinements
 Sample: at T = 900 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             0006455
_diffrn_ambient_temperature      1173.15
_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               9005110