LMucko/crystallography-open-database huggingface dataset:
Powder XRD structure refinements and 57Fe Mossbauer effect study of synthetic Zn1-xFexAl2O4 (o<x<=1) spinels annealed at different temperatures Sample: 0.2, annealed at 1075 degrees C for 48 hours, then quenched
Waerenborgh, J. C.; Figueiredo, M. O.; Cabral, J. M. P.; Pereira, L. C. J.; Physics and Chemistry of Minerals 21 (1994) 460–468; doi:

data_9006312
_publ_section_title
;Powder XRD structure refinements and 57Fe Mossbauer effect study of synthetic
 Zn1-xFexAl2O4 (o<x<=1) spinels annealed at different temperatures Sample:
 0.2, annealed at 1075 degrees C for 48 hours, then quenched
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              460
_journal_page_last               468
_journal_volume                  21
_journal_year                    1994
_chemical_formula_sum            'Al2 Fe0.2 O4 Zn0.8'
_chemical_name_mineral           Gahnite
_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                   8.1008
_cell_length_b                   8.1008
_cell_length_c                   8.1008
_cell_formula_units_Z            8
_cell_volume                     531.598
_database_code_amcsd             0007894
_exptl_crystal_density_diffrn    4.534
_exptl_crystal_thermal_history
'annealed at 1075 degrees C for 48 hours, then quenched'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al2 Fe.2 Zn.8 O4'
_cod_database_code               9006312
Powder XRD structure refinements and 57Fe Mossbauer effect study of synthetic Zn1-xFexAl2O4 (o<x<=1) spinels annealed at different temperatures Sample: 0.4, annealed at 1075 degrees C for 48 hours, then quenched
Waerenborgh, J. C.; Figueiredo, M. O.; Cabral, J. M. P.; Pereira, L. C. J.; Physics and Chemistry of Minerals 21 (1994) 460–468; doi:

data_9006313
_publ_section_title
;Powder XRD structure refinements and 57Fe Mossbauer effect study of synthetic
 Zn1-xFexAl2O4 (o<x<=1) spinels annealed at different temperatures Sample:
 0.4, annealed at 1075 degrees C for 48 hours, then quenched
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              460
_journal_page_last               468
_journal_volume                  21
_journal_year                    1994
_chemical_formula_sum            'Al2 Fe0.4 O4 Zn0.6'
_chemical_name_mineral           Gahnite
_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                   8.1141
_cell_length_b                   8.1141
_cell_length_c                   8.1141
_cell_formula_units_Z            8
_cell_volume                     534.221
_database_code_amcsd             0007895
_exptl_crystal_density_diffrn    4.464
_exptl_crystal_thermal_history
'annealed at 1075 degrees C for 48 hours, then quenched'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al2 Fe.4 Zn.6 O4'
_cod_database_code               9006313
Powder XRD structure refinements and 57Fe Mossbauer effect study of synthetic Zn1-xFexAl2O4 (o<x<=1) spinels annealed at different temperatures Sample: 0.6, annealed at 1075 degrees C for 48 hours, then quenched
Waerenborgh, J. C.; Figueiredo, M. O.; Cabral, J. M. P.; Pereira, L. C. J.; Physics and Chemistry of Minerals 21 (1994) 460–468; doi:

data_9006314
_publ_section_title
;Powder XRD structure refinements and 57Fe Mossbauer effect study of synthetic
 Zn1-xFexAl2O4 (o<x<=1) spinels annealed at different temperatures Sample:
 0.6, annealed at 1075 degrees C for 48 hours, then quenched
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              460
_journal_page_last               468
_journal_volume                  21
_journal_year                    1994
_chemical_formula_sum            'Al2 Fe0.6 O4 Zn0.4'
_chemical_name_mineral           Hercynite
_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                   8.1282
_cell_length_b                   8.1282
_cell_length_c                   8.1282
_cell_formula_units_Z            8
_cell_volume                     537.011
_database_code_amcsd             0007896
_exptl_crystal_density_diffrn    4.394
_exptl_crystal_thermal_history
'annealed at 1075 degrees C for 48 hours, then quenched'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al2 Fe.6 Zn.4 O4'
_cod_database_code               9006314
Powder XRD structure refinements and 57Fe Mossbauer effect study of synthetic Zn1-xFexAl2O4 (o<x<=1) spinels annealed at different temperatures Sample: 1.0, annealed at 1075 degrees C for 48 hours, then quenched
Waerenborgh, J. C.; Figueiredo, M. O.; Cabral, J. M. P.; Pereira, L. C. J.; Physics and Chemistry of Minerals 21 (1994) 460–468; doi:

data_9006315
_publ_section_title
;Powder XRD structure refinements and 57Fe Mossbauer effect study of synthetic
 Zn1-xFexAl2O4 (o<x<=1) spinels annealed at different temperatures Sample:
 1.0, annealed at 1075 degrees C for 48 hours, then quenched
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              460
_journal_page_last               468
_journal_volume                  21
_journal_year                    1994
_chemical_formula_sum            'Al2 Fe O4'
_chemical_name_mineral           Hercynite
_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                   8.1546
_cell_length_b                   8.1546
_cell_length_c                   8.1546
_cell_volume                     542.261
_database_code_amcsd             0007897
_exptl_crystal_density_diffrn    4.258
_exptl_crystal_thermal_history
'annealed at 1075 degrees C for 48 hours, then quenched'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Al2 Fe) O4'
_cod_database_code               9006315
The infrared dielectric properties of maghemite, gamma-Fe2O3, from reflectance measurement on pressed powders Sample: a) idealized
Pecharroman, C.; Gonzalez-Carreno T; Iglesias, J. E.; Physics and Chemistry of Minerals 22 (1995) 21–29; doi:

data_9006316
_publ_section_title
;
 The infrared dielectric properties of maghemite, gamma-Fe2O3,
 from reflectance measurement on pressed powders
 Sample: a) idealized
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              21
_journal_page_last               29
_journal_volume                  22
_journal_year                    1995
_chemical_formula_sum            'Fe2 O3'
_chemical_name_mineral           Maghemite
_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                   8.33
_cell_length_b                   8.33
_cell_length_c                   8.33
_cell_formula_units_Z            12
_cell_volume                     578.010
_database_code_amcsd             0007898
_exptl_crystal_density_diffrn    4.894
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9006316
The infrared dielectric properties of maghemite, gamma-Fe2O3, from reflectance measurement on pressed powders Sample: b) idealized
Pecharroman, C.; Gonzalez-Carreno T; Iglesias, J. E.; Physics and Chemistry of Minerals 22 (1995) 21–29; doi:

data_9006317
_publ_section_title
;
 The infrared dielectric properties of maghemite, gamma-Fe2O3,
 from reflectance measurement on pressed powders
 Sample: b) idealized
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              21
_journal_page_last               29
_journal_volume                  22
_journal_year                    1995
_chemical_formula_sum            'Fe2 O3'
_chemical_name_mineral           Maghemite
_space_group_IT_number           213
_symmetry_space_group_name_Hall  'P 4bd 2ab 3'
_symmetry_space_group_name_H-M   'P 41 3 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.33
_cell_length_b                   8.33
_cell_length_c                   8.33
_cell_formula_units_Z            12
_cell_volume                     578.010
_database_code_amcsd             0007899
_exptl_crystal_density_diffrn    4.894
_cod_database_code               9006317
The infrared dielectric properties of maghemite, gamma-Fe2O3, from reflectance measurement on pressed powders Sample: c) idealized, either one of Fe-oct 1-6, or both Fe-oct 6-7 have zero occupancy
Pecharroman, C.; Gonzalez-Carreno T; Iglesias, J. E.; Physics and Chemistry of Minerals 22 (1995) 21–29; doi:

data_9006318
_publ_section_title
;
 The infrared dielectric properties of maghemite, gamma-Fe2O3,
 from reflectance measurement on pressed powders
 Sample: c) idealized, either one of Fe-oct 1-6,
 or both Fe-oct 6-7 have zero occupancy
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              21
_journal_page_last               29
_journal_volume                  22
_journal_year                    1995
_chemical_formula_sum            'Fe3 O4'
_chemical_name_mineral           Maghemite
_space_group_IT_number           96
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.33
_cell_length_b                   8.33
_cell_length_c                   24.99
_cell_formula_units_Z            24
_cell_volume                     1734.029
_database_code_amcsd             0007900
_exptl_crystal_density_diffrn    5.321
_cod_database_code               9006318
Local structural environment of calcium in garnets: A combined structure-refinement and XANES investigation Note: sample MP14
Quartieri, S.; Chaboy, J.; Merli, M.; Oberti, R.; Ungaretti, L.; Physics and Chemistry of Minerals 22 (1995) 159–169; doi:

data_9006319
_publ_section_title
;
 Local structural environment of calcium in garnets:
 A combined structure-refinement and XANES investigation
 Note: sample MP14
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              159
_journal_page_last               169
_journal_volume                  22
_journal_year                    1995
_chemical_compound_source
'metasedimentary rocks of the Ivrea-Verbano Zone, Italy'
_chemical_formula_sum
'Al1.99 Ca0.24 Cr0.01 Fe1.59 Mg1.119 Mn0.039 O12 Si3 Ti0.01'
_chemical_name_mineral           Almandine
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.533
_cell_length_b                   11.533
_cell_length_c                   11.533
_cell_formula_units_Z            8
_cell_volume                     1534.005
_database_code_amcsd             0007901
_exptl_crystal_density_diffrn    3.972
_cod_original_formula_sum
'Ca.24 Fe1.59 Mn.039 Mg1.119 Al1.99 Cr.01 Ti.01 Si3 O12'
_cod_database_code               9006319
Local structural environment of calcium in garnets: A combined structure-refinement and XANES investigation Note: sample MP18
Quartieri, S.; Chaboy, J.; Merli, M.; Oberti, R.; Ungaretti, L.; Physics and Chemistry of Minerals 22 (1995) 159–169; doi:

data_9006320
_publ_section_title
;
 Local structural environment of calcium in garnets:
 A combined structure-refinement and XANES investigation
 Note: sample MP18
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              159
_journal_page_last               169
_journal_volume                  22
_journal_year                    1995
_chemical_compound_source
'metasedimentary rocks of the Ivrea-Verbano Zone, Italy'
_chemical_formula_sum            'Al2 Ca0.51 Fe1.431 Mg1.02 Mn0.039 O12 Si3'
_chemical_name_mineral           Almandine
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.565
_cell_length_b                   11.565
_cell_length_c                   11.565
_cell_formula_units_Z            8
_cell_volume                     1546.810
_database_code_amcsd             0007902
_exptl_crystal_density_diffrn    3.929
_cod_original_formula_sum        '(Ca.51 Fe1.431 Mn.039 Mg1.02) Al2 Si3 O12'
_cod_database_code               9006320
Local structural environment of calcium in garnets: A combined structure-refinement and XANES investigation Note: sample MP12
Quartieri, S.; Chaboy, J.; Merli, M.; Oberti, R.; Ungaretti, L.; Physics and Chemistry of Minerals 22 (1995) 159–169; doi:

data_9006321
_publ_section_title
;
 Local structural environment of calcium in garnets:
 A combined structure-refinement and XANES investigation
 Note: sample MP12
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              159
_journal_page_last               169
_journal_volume                  22
_journal_year                    1995
_chemical_compound_source
'metasedimentary rocks of the Ivrea-Verbano Zone, Italy'
_chemical_formula_sum
'Al1.99 Ca0.51 Fe1.56 Mg0.921 Mn0.039 O12 Si3 Ti0.01'
_chemical_name_mineral           Almandine
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.571
_cell_length_b                   11.571
_cell_length_c                   11.571
_cell_formula_units_Z            8
_cell_volume                     1549.219
_database_code_amcsd             0007903
_exptl_crystal_density_diffrn    3.966
_cod_original_formula_sum
'Ca.51 Fe1.56 Mn.039 Mg.921 (Al1.99 Ti.01) Si3 O12'
_cod_database_code               9006321
Local structural environment of calcium in garnets: A combined structure-refinement and XANES investigation Sample: SBB
Quartieri, S.; Chaboy, J.; Merli, M.; Oberti, R.; Ungaretti, L.; Physics and Chemistry of Minerals 22 (1995) 159–169; doi:

data_9006322
_publ_section_title
;
 Local structural environment of calcium in garnets:
 A combined structure-refinement and XANES investigation
 Sample: SBB
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              159
_journal_page_last               169
_journal_volume                  22
_journal_year                    1995
_chemical_formula_sum
'Al1.99 Ca1.389 Fe0.469 Mg1.14 Mn0.009 O12 Si3'
_chemical_name_mineral           Pyrope
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.663
_cell_length_b                   11.663
_cell_length_c                   11.663
_cell_formula_units_Z            8
_cell_volume                     1586.466
_database_code_amcsd             0007904
_exptl_crystal_density_diffrn    3.684
_cod_original_formula_sum        'Ca1.389 Fe.469 Mn.009 Mg1.14 Al1.99 Si3 O12'
_cod_database_code               9006322
Local structural environment of calcium in garnets: A combined structure-refinement and XANES investigation Note: sample VOL
Quartieri, S.; Chaboy, J.; Merli, M.; Oberti, R.; Ungaretti, L.; Physics and Chemistry of Minerals 22 (1995) 159–169; doi:

data_9006323
_publ_section_title
;
 Local structural environment of calcium in garnets:
 A combined structure-refinement and XANES investigation
 Note: sample VOL
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              159
_journal_page_last               169
_journal_volume                  22
_journal_year                    1995
_chemical_compound_source        'Voltri, Liguria, Italy'
_chemical_formula_sum
'Al1.87 Ca2.139 Fe0.849 Mg0.09 Mn0.039 O12 Si3 Ti0.01'
_chemical_name_mineral           Grossular
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.787
_cell_length_b                   11.787
_cell_length_c                   11.787
_cell_formula_units_Z            8
_cell_volume                     1637.608
_database_code_amcsd             0007905
_exptl_crystal_density_diffrn    3.769
_cod_original_formula_sum
'Ca2.139 Fe.849 Mn.039 Mg.09 Al1.87 Ti.01 Si3 O12'
_cod_database_code               9006323
Local structural environment of calcium in garnets: A combined structure-refinement and XANES investigation Note: sample BRIC
Quartieri, S.; Chaboy, J.; Merli, M.; Oberti, R.; Ungaretti, L.; Physics and Chemistry of Minerals 22 (1995) 159–169; doi:

data_9006324
_publ_section_title
;
 Local structural environment of calcium in garnets:
 A combined structure-refinement and XANES investigation
 Note: sample BRIC
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              159
_journal_page_last               169
_journal_volume                  22
_journal_year                    1995
_chemical_compound_source        'Bric Canizzi, Liguria, Italy'
_chemical_formula_sum            'Al Ca2.889 Fe0.949 Mn0.039 O12 Si3 Ti0.12'
_chemical_name_mineral           Grossular
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.967
_cell_length_b                   11.967
_cell_length_c                   11.967
_cell_formula_units_Z            8
_cell_volume                     1713.783
_database_code_amcsd             0007906
_exptl_crystal_density_diffrn    3.720
_cod_original_formula_sum        'Ca2.889 Fe.949 Mn.039 Al Ti.12 Si3 O12'
_cod_database_code               9006324
Local structural environment of calcium in garnets: A combined structure-refinement and XANES investigation Note: sample GRO
Quartieri, S.; Chaboy, J.; Merli, M.; Oberti, R.; Ungaretti, L.; Physics and Chemistry of Minerals 22 (1995) 159–169; doi:

data_9006325
_publ_section_title
;
 Local structural environment of calcium in garnets:
 A combined structure-refinement and XANES investigation
 Note: sample GRO
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              159
_journal_page_last               169
_journal_volume                  22
_journal_year                    1995
_chemical_compound_source        'Val di Fassa, Italy'
_chemical_formula_sum
'Al1.81 Ca2.901 Fe0.22 Mg0.06 Mn0.009 O12 Si3 Ti0.01'
_chemical_name_mineral           Grossular
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.871
_cell_length_b                   11.871
_cell_length_c                   11.871
_cell_formula_units_Z            8
_cell_volume                     1672.869
_database_code_amcsd             0007907
_exptl_crystal_density_diffrn    3.622
_cod_original_formula_sum
'Ca2.901 Fe.22 Mn.009 Mg.06 Al1.81 Ti.01 Si3 O12'
_cod_database_code               9006325
High-pressure structural study of muscovite Sample: K-Ms, P = 0.05 GPa
Comodi, P.; Zanazzi, P. F.; Physics and Chemistry of Minerals 22 (1995) 170–177; doi:

data_9006326
_publ_section_title
;
 High-pressure structural study of muscovite
 Sample: K-Ms, P = 0.05 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              170
_journal_page_last               177
_journal_volume                  22
_journal_year                    1995
_chemical_formula_sum
'Al2.8 Ba0.01 Fe0.08 H2 K0.9 Mg0.04 Na0.07 O12 Si3.04 Ti0.04'
_chemical_name_mineral           Muscovite
_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                 95.8
_cell_angle_gamma                90
_cell_length_a                   5.194
_cell_length_b                   9.013
_cell_length_c                   20.064
_cell_formula_units_Z            4
_cell_volume                     934.458
_database_code_amcsd             0007908
_diffrn_ambient_pressure         50000
_exptl_crystal_density_diffrn    2.847
_cod_original_formula_sum
'K.9 Na.07 Ba.01 Al2.8 Ti.04 Fe.08 Mg.04 Si3.04 O12 H2'
_cod_database_code               9006326
High-pressure structural study of muscovite Sample: K-Ms, P = 2.80 GPa
Comodi, P.; Zanazzi, P. F.; Physics and Chemistry of Minerals 22 (1995) 170–177; doi:

data_9006327
_publ_section_title
;
 High-pressure structural study of muscovite
 Sample: K-Ms, P = 2.80 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              170
_journal_page_last               177
_journal_volume                  22
_journal_year                    1995
_chemical_formula_sum
'Al2.8 Ba0.01 Fe0.08 H2 K0.9 Mg0.04 Na0.07 O12 Si3.04 Ti0.04'
_chemical_name_mineral           Muscovite
_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                 95.8
_cell_angle_gamma                90
_cell_length_a                   5.151
_cell_length_b                   8.931
_cell_length_c                   19.399
_cell_formula_units_Z            4
_cell_volume                     887.855
_database_code_amcsd             0007909
_diffrn_ambient_pressure         2.8e+06
_exptl_crystal_density_diffrn    2.996
_cod_original_formula_sum
'K.9 Na.07 Ba.01 Al2.8 Ti.04 Fe.08 Mg.04 Si3.04 O12 H2'
_cod_database_code               9006327