LMucko/crystallography-open-database huggingface dataset:
Kinetics of cation ordering in synthetic MgAl2O4 spinel Sample: annealed at 1000 deg C for 12h, then isothermally ordered at 700 deg C for 120 min
Andreozzi, G. B.; Princivalle, F.; American Mineralogist 87 (2002) 838–844; doi:

data_9002754
_publ_section_title
;Kinetics of cation ordering in synthetic MgAl2O4 spinel Sample: annealed at
 1000 deg C for 12h, then isothermally ordered at 700 deg C for 120 min
;
_journal_name_full               'American Mineralogist'
_journal_page_first              838
_journal_page_last               844
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Al2 Mg O4'
_chemical_name_mineral           Spinel
_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                   8.0840
_cell_length_b                   8.0840
_cell_length_c                   8.0840
_cell_volume                     528.298
_database_code_amcsd             0002843
_exptl_crystal_density_diffrn    3.577
_exptl_crystal_thermal_history
'annealed at 1000 deg C for 12h; isothermally ordered at 700 deg C for 120 min'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Al2) O4'
_cod_database_code               9002754
Kinetics of cation ordering in synthetic MgAl2O4 spinel Sample: annealed at 1000 deg C for 12h, then isothermally ordered at 700 deg C for 500 min
Andreozzi, G. B.; Princivalle, F.; American Mineralogist 87 (2002) 838–844; doi:

data_9002755
_publ_section_title
;Kinetics of cation ordering in synthetic MgAl2O4 spinel Sample: annealed at
 1000 deg C for 12h, then isothermally ordered at 700 deg C for 500 min
;
_journal_name_full               'American Mineralogist'
_journal_page_first              838
_journal_page_last               844
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Al2.001 Mg0.999 O4'
_chemical_name_mineral           Spinel
_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                   8.0848
_cell_length_b                   8.0848
_cell_length_c                   8.0848
_cell_volume                     528.455
_database_code_amcsd             0002844
_exptl_crystal_density_diffrn    3.576
_exptl_crystal_thermal_history
'annealed at 1000 deg C for 12h; isothermally ordered at 700 deg C for 500 min'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg.999 Al2.001) O4'
_cod_database_code               9002755
Kinetics of cation ordering in synthetic MgAl2O4 spinel Sample: annealed at 1000 deg C for 12h, then isothermally ordered at 700 deg C for 1000 min
Andreozzi, G. B.; Princivalle, F.; American Mineralogist 87 (2002) 838–844; doi:

data_9002756
_publ_section_title
;Kinetics of cation ordering in synthetic MgAl2O4 spinel Sample: annealed at
 1000 deg C for 12h, then isothermally ordered at 700 deg C for 1000 min
;
_journal_name_full               'American Mineralogist'
_journal_page_first              838
_journal_page_last               844
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Al2.001 Mg0.999 O4'
_chemical_name_mineral           Spinel
_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                   8.0847
_cell_length_b                   8.0847
_cell_length_c                   8.0847
_cell_volume                     528.435
_database_code_amcsd             0002845
_exptl_crystal_density_diffrn    3.576
_exptl_crystal_thermal_history
;annealed at 1000 deg C for 12h; isothermally ordered at 700 deg C for 1000
 min
;
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg.999 Al2.001) O4'
_cod_database_code               9002756
Kinetics of cation ordering in synthetic MgAl2O4 spinel Sample: annealed at 1000 deg C for 12h, then isothermally ordered at 700 deg C for 5000 min
Andreozzi, G. B.; Princivalle, F.; American Mineralogist 87 (2002) 838–844; doi:

data_9002757
_publ_section_title
;Kinetics of cation ordering in synthetic MgAl2O4 spinel Sample: annealed at
 1000 deg C for 12h, then isothermally ordered at 700 deg C for 5000 min
;
_journal_name_full               'American Mineralogist'
_journal_page_first              838
_journal_page_last               844
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Al2 Mg O4'
_chemical_name_mineral           Spinel
_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                   8.0848
_cell_length_b                   8.0848
_cell_length_c                   8.0848
_cell_volume                     528.455
_database_code_amcsd             0002846
_exptl_crystal_density_diffrn    3.576
_exptl_crystal_thermal_history
;annealed at 1000 deg C for 12h; isothermally ordered at 700 deg C for 5000
 min
;
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Al2) O4'
_cod_database_code               9002757
Kinetics of cation ordering in synthetic MgAl2O4 spinel Sample: annealed at 1000 deg C for 12h, then isothermally ordered at 700 deg C for 57600 min
Andreozzi, G. B.; Princivalle, F.; American Mineralogist 87 (2002) 838–844; doi:

data_9002758
_publ_section_title
;Kinetics of cation ordering in synthetic MgAl2O4 spinel Sample: annealed at
 1000 deg C for 12h, then isothermally ordered at 700 deg C for 57600 min
;
_journal_name_full               'American Mineralogist'
_journal_page_first              838
_journal_page_last               844
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Al2 Mg O4'
_chemical_name_mineral           Spinel
_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                   8.0850
_cell_length_b                   8.0850
_cell_length_c                   8.0850
_cell_volume                     528.494
_database_code_amcsd             0002847
_exptl_crystal_density_diffrn    3.576
_exptl_crystal_thermal_history
;annealed at 1000 deg C for 12h; isothermally ordered at 700 deg C for 57600
 min
;
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Al2) O4'
_cod_database_code               9002758
Structural properties and heat-induced oxidation-dehydrogenation of manganoan ilvaite from Perda Niedda mine, Sardinia, Italy Sample: PN6-RT, Crystal at room temperature
Bonazzi, P.; Bindi, L.; American Mineralogist 87 (2002) 845–852; doi:

data_9002759
_publ_section_title
;
 Structural properties and heat-induced oxidation-dehydrogenation of
 manganoan ilvaite from Perda Niedda mine, Sardinia, Italy
 Sample: PN6-RT, Crystal at room temperature
;
_journal_name_full               'American Mineralogist'
_journal_page_first              845
_journal_page_last               852
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Ca0.98 Fe2.28 H Mn0.74 O9 Si2'
_chemical_name_mineral           Ilvaite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.014
_cell_length_b                   8.867
_cell_length_c                   5.838
_cell_formula_units_Z            4
_cell_volume                     673.677
_database_code_amcsd             0002848
_exptl_crystal_density_diffrn    4.027
_cod_original_formula_sum        'Ca.98 Mn.74 Fe2.28 Si2 O9 H'
_cod_database_code               9002759
Structural properties and heat-induced oxidation-dehydrogenation of manganoan ilvaite from perda Niedda mine, Sardinia, Italy Sample: PN6-400, Crystal at room temperature, annealed at 400 C for 48 hrs
Bonazzi, P.; Bindi, L.; American Mineralogist 87 (2002) 845–852; doi:

data_9002760
_publ_section_title
;
 Structural properties and heat-induced oxidation-dehydrogenation of
 manganoan ilvaite from perda Niedda mine, Sardinia, Italy
 Sample: PN6-400, Crystal at room temperature, annealed at 400 C for 48 hrs
;
_journal_name_full               'American Mineralogist'
_journal_page_first              845
_journal_page_last               852
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Ca0.98 Fe2.28 H Mn0.74 O9 Si2'
_chemical_name_mineral           Ilvaite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.015
_cell_length_b                   8.868
_cell_length_c                   5.842
_cell_formula_units_Z            4
_cell_volume                     674.266
_database_code_amcsd             0002849
_exptl_crystal_density_diffrn    4.023
_exptl_crystal_thermal_history   'annealed at 400 C for 48 hrs'
_cod_original_formula_sum        'Ca.98 Mn.74 Fe2.28 Si2 O9 H'
_cod_database_code               9002760
Structural properties and heat-induced oxidation-dehydrogenation of manganoan ilvaite from perda Niedda mine, Sardinia, Italy Sample: PN6-500, Crystal at room temperature, annealed at 500 C for 48 hrs
Bonazzi, P.; Bindi, L.; American Mineralogist 87 (2002) 845–852; doi:

data_9002761
_publ_section_title
;
 Structural properties and heat-induced oxidation-dehydrogenation of
 manganoan ilvaite from perda Niedda mine, Sardinia, Italy
 Sample: PN6-500, Crystal at room temperature, annealed at 500 C for 48 hrs
;
_journal_name_full               'American Mineralogist'
_journal_page_first              845
_journal_page_last               852
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Ca0.98 Fe2.28 H Mn0.74 O9 Si2'
_chemical_name_mineral           Ilvaite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.008
_cell_length_b                   8.865
_cell_length_c                   5.845
_cell_formula_units_Z            4
_cell_volume                     674.022
_database_code_amcsd             0002850
_exptl_crystal_density_diffrn    4.025
_exptl_crystal_thermal_history   'annealed at 500 C for 48 hrs'
_cod_original_formula_sum        'Ca.98 Mn.74 Fe2.28 Si2 O9 H'
_cod_database_code               9002761
Structural properties and heat-induced oxidation-dehydrogenation of manganoan ilvaite from perda Niedda mine, Sardinia, Italy Sample: PN6-600, Crystal at room temperature, annealed at 600 C for 48 hrs
Bonazzi, P.; Bindi, L.; American Mineralogist 87 (2002) 845–852; doi:

data_9002762
_publ_section_title
;
 Structural properties and heat-induced oxidation-dehydrogenation of
 manganoan ilvaite from perda Niedda mine, Sardinia, Italy
 Sample: PN6-600, Crystal at room temperature, annealed at 600 C for 48 hrs
;
_journal_name_full               'American Mineralogist'
_journal_page_first              845
_journal_page_last               852
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Ca0.98 Fe2.28 H Mn0.74 O9 Si2'
_chemical_name_mineral           Ilvaite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.993
_cell_length_b                   8.864
_cell_length_c                   5.837
_cell_formula_units_Z            4
_cell_volume                     672.247
_database_code_amcsd             0002851
_exptl_crystal_density_diffrn    4.036
_exptl_crystal_thermal_history   'annealed at 600 C for 48 hrs'
_cod_original_formula_sum        'Ca.98 Mn.74 Fe2.28 Si2 O9 H'
_cod_database_code               9002762
Structural properties and heat-induced oxidation-dehydrogenation of manganoan ilvaite from perda Niedda mine, Sardinia, Italy Sample: PN6-650, Crystal at room temperature, annealed at 650 C for 48 hrs
Bonazzi, P.; Bindi, L.; American Mineralogist 87 (2002) 845–852; doi:

data_9002763
_publ_section_title
;
 Structural properties and heat-induced oxidation-dehydrogenation of
 manganoan ilvaite from perda Niedda mine, Sardinia, Italy
 Sample: PN6-650, Crystal at room temperature, annealed at 650 C for 48 hrs
;
_journal_name_full               'American Mineralogist'
_journal_page_first              845
_journal_page_last               852
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Ca0.98 Fe2.28 Mn0.74 O9 Si2'
_chemical_name_mineral           Ilvaite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.983
_cell_length_b                   8.868
_cell_length_c                   5.822
_cell_formula_units_Z            4
_cell_volume                     670.306
_database_code_amcsd             0002852
_exptl_crystal_density_diffrn    4.037
_exptl_crystal_thermal_history   'annealed at 650 C for 48 hrs'
_cod_original_formula_sum        'Ca.98 Mn.74 Fe2.28 Si2 O9'
_cod_database_code               9002763
Structural properties and heat-induced oxidation-dehydrogenation of manganoan ilvaite from perda Niedda mine, Sardinia, Italy Sample: PN6-675, Crystal at room temperature, annealed at 675 C for 48 hrs
Bonazzi, P.; Bindi, L.; American Mineralogist 87 (2002) 845–852; doi:

data_9002764
_publ_section_title
;
 Structural properties and heat-induced oxidation-dehydrogenation of
 manganoan ilvaite from perda Niedda mine, Sardinia, Italy
 Sample: PN6-675, Crystal at room temperature, annealed at 675 C for 48 hrs
;
_journal_name_full               'American Mineralogist'
_journal_page_first              845
_journal_page_last               852
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Ca0.98 Fe2.28 Mn0.74 O9 Si2'
_chemical_name_mineral           Ilvaite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.992
_cell_length_b                   8.869
_cell_length_c                   5.820
_cell_formula_units_Z            4
_cell_volume                     670.616
_database_code_amcsd             0002853
_exptl_crystal_density_diffrn    4.035
_exptl_crystal_thermal_history   'annealed at 675 C for 48 hrs'
_cod_original_formula_sum        'Ca.98 Mn.74 Fe2.28 Si2 O9'
_cod_database_code               9002764
Structural properties and heat-induced oxidation-dehydrogenation of manganoan ilvaite from perda Niedda mine, Sardinia, Italy Sample: PN6-690, Crystal at room temperature, annealed at 690 C for 48 hrs
Bonazzi, P.; Bindi, L.; American Mineralogist 87 (2002) 845–852; doi:

data_9002765
_publ_section_title
;
 Structural properties and heat-induced oxidation-dehydrogenation of
 manganoan ilvaite from perda Niedda mine, Sardinia, Italy
 Sample: PN6-690, Crystal at room temperature, annealed at 690 C for 48 hrs
;
_journal_name_full               'American Mineralogist'
_journal_page_first              845
_journal_page_last               852
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Ca0.98 Fe2.28 Mn0.74 O9 Si2'
_chemical_name_mineral           Ilvaite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.015
_cell_length_b                   8.873
_cell_length_c                   5.816
_cell_formula_units_Z            4
_cell_volume                     671.644
_database_code_amcsd             0002854
_exptl_crystal_density_diffrn    4.029
_exptl_crystal_thermal_history   'annealed at 690 C for 48 hrs'
_cod_original_formula_sum        'Ca.98 Mn.74 Fe2.28 Si2 O9'
_cod_database_code               9002765
The substitution Fe-Al and the isosymmetric displacive phase transition in synthetic zoisite: A powder X-ray and infrared spectroscopic study Sample: Zo3, X(Fe/(Fe+Al-2)) = 0.0
Liebscher, A.; Gottschalk, M.; Franz, G.; American Mineralogist 87 (2002) 909–921; doi:

data_9002766
_publ_section_title
;
 The substitution Fe-Al and the isosymmetric displacive phase transition
 in synthetic zoisite: A powder X-ray and infrared spectroscopic study
 Sample: Zo3, X(Fe/(Fe+Al-2)) = 0.0
;
_journal_name_full               'American Mineralogist'
_journal_page_first              909
_journal_page_last               921
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Al3 Ca2 H O13 Si3'
_chemical_name_mineral           Zoisite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   16.1913
_cell_length_b                   5.5488
_cell_length_c                   10.0320
_cell_formula_units_Z            4
_cell_volume                     901.298
_database_code_amcsd             0002855
_exptl_crystal_density_diffrn    3.348
_cod_original_formula_sum        'Ca2 Al3 Si3 O13 H'
_cod_database_code               9002766
The substitution Fe-Al and the isosymmetric displacive phase transition in synthetic zoisite: A powder X-ray and infrared spectroscopic study Sample: Zo1, X(Fe/(Fe+Al-2)) = 0.035
Liebscher, A.; Gottschalk, M.; Franz, G.; American Mineralogist 87 (2002) 909–921; doi:

data_9002767
_publ_section_title
;
 The substitution Fe-Al and the isosymmetric displacive phase transition
 in synthetic zoisite: A powder X-ray and infrared spectroscopic study
 Sample: Zo1, X(Fe/(Fe+Al-2)) = 0.035
;
_journal_name_full               'American Mineralogist'
_journal_page_first              909
_journal_page_last               921
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Al2.965 Ca2 Fe0.035 H O13 Si3'
_chemical_name_mineral           Zoisite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   16.1900
_cell_length_b                   5.5511
_cell_length_c                   10.0332
_cell_formula_units_Z            4
_cell_volume                     901.707
_database_code_amcsd             0002856
_exptl_crystal_density_diffrn    3.354
_cod_original_formula_sum        'Ca2 Al2.965 Fe.035 Si3 O13 H'
_cod_database_code               9002767
The substitution Fe-Al and the isosymmetric displacive phase transition in synthetic zoisite: A powder X-ray and infrared spectroscopic study Sample: Zo2, X(Fe/(Fe+Al-2)) = 0.062
Liebscher, A.; Gottschalk, M.; Franz, G.; American Mineralogist 87 (2002) 909–921; doi:

data_9002768
_publ_section_title
;
 The substitution Fe-Al and the isosymmetric displacive phase transition
 in synthetic zoisite: A powder X-ray and infrared spectroscopic study
 Sample: Zo2, X(Fe/(Fe+Al-2)) = 0.062
;
_journal_name_full               'American Mineralogist'
_journal_page_first              909
_journal_page_last               921
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Al2.938 Ca2 Fe0.062 H O13 Si3'
_chemical_name_mineral           Zoisite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   16.2009
_cell_length_b                   5.5536
_cell_length_c                   10.0336
_cell_formula_units_Z            4
_cell_volume                     902.756
_database_code_amcsd             0002857
_exptl_crystal_density_diffrn    3.356
_cod_original_formula_sum        'Ca2 Al2.938 Fe.062 Si3 O13 H'
_cod_database_code               9002768
The substitution Fe-Al and the isosymmetric displacive phase transition in synthetic zoisite: A powder X-ray and infrared spectroscopic study Sample: Zo4, X(Fe/(Fe+Al-2)) = 0.096
Liebscher, A.; Gottschalk, M.; Franz, G.; American Mineralogist 87 (2002) 909–921; doi:

data_9002769
_publ_section_title
;
 The substitution Fe-Al and the isosymmetric displacive phase transition
 in synthetic zoisite: A powder X-ray and infrared spectroscopic study
 Sample: Zo4, X(Fe/(Fe+Al-2)) = 0.096
;
_journal_name_full               'American Mineralogist'
_journal_page_first              909
_journal_page_last               921
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Al2.904 Ca2 Fe0.096 H O13 Si3'
_chemical_name_mineral           Zoisite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   16.1983
_cell_length_b                   5.5564
_cell_length_c                   10.0376
_cell_formula_units_Z            4
_cell_volume                     903.427
_database_code_amcsd             0002858
_exptl_crystal_density_diffrn    3.361
_cod_original_cell_volume        903.426
_cod_original_formula_sum        'Ca2 Al2.904 Fe.096 Si3 O13 H'
_cod_database_code               9002769