LMucko/crystallography-open-database huggingface dataset:
The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.650
Troitzsch, U.; Christy, A. G.; Ellis, D. J.; Physics and Chemistry of Minerals 32 (2005) 504–514; doi:10.1007/s00269-005-0027-0

data_9010853
_publ_section_title
;
 The crystal structure of disordered (Zr,Ti)O2 solid solution
 Sample: XTi = 0.650
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              504
_journal_page_last               514
_journal_paper_doi               10.1007/s00269-005-0027-0
_journal_volume                  32
_journal_year                    2005
_chemical_formula_sum            'O2 Ti0.65 Zr0.35'
_chemical_name_mineral           Srilankite
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7200
_cell_length_b                   5.5078
_cell_length_c                   5.0018
_cell_formula_units_Z            4
_cell_volume                     130.031
_database_code_amcsd             0008988
_exptl_crystal_density_diffrn    4.855
_cod_original_formula_sum        '(Zr.35 Ti.65) O2'
_cod_database_code               9010853
The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.666
Troitzsch, U.; Christy, A. G.; Ellis, D. J.; Physics and Chemistry of Minerals 32 (2005) 504–514; doi:10.1007/s00269-005-0027-0

data_9010854
_publ_section_title
;
 The crystal structure of disordered (Zr,Ti)O2 solid solution
 Sample: XTi = 0.666
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              504
_journal_page_last               514
_journal_paper_doi               10.1007/s00269-005-0027-0
_journal_volume                  32
_journal_year                    2005
_chemical_formula_sum            'O2 Ti0.666 Zr0.334'
_chemical_name_mineral           Srilankite
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7112
_cell_length_b                   5.4944
_cell_length_c                   4.9962
_cell_formula_units_Z            4
_cell_volume                     129.328
_database_code_amcsd             0008989
_exptl_crystal_density_diffrn    4.846
_cod_original_formula_sum        '(Zr.334 Ti.666) O2'
_cod_database_code               9010854
Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6) solid solution series by X-ray single crystal diffraction Sample: hd10hk1a
Heuer, M.; Huber, A. L.; Bromiley, G. D.; Fehr, K. T.; Bente, K.; Physics and Chemistry of Minerals 32 (2005) 552–563; doi:10.1007/s00269-005-0025-2

data_9010855
_publ_section_title
;Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite
 (CaZnSi2O6) solid solution series by X-ray single crystal diffraction Sample:
 hd10hk1a
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              552
_journal_page_last               563
_journal_paper_doi               10.1007/s00269-005-0025-2
_journal_volume                  32
_journal_year                    2005
_chemical_formula_sum            'Ca Fe O6 Si2'
_chemical_name_mineral           Hedenbergite
_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                 104.794
_cell_angle_gamma                90
_cell_length_a                   9.8672
_cell_length_b                   9.0469
_cell_length_c                   5.2584
_cell_formula_units_Z            4
_cell_volume                     453.844
_database_code_amcsd             0008998
_exptl_crystal_density_diffrn    3.631
_cod_original_formula_sum        'Ca Fe Si2 O6'
_cod_database_code               9010855
Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6) solid solution series by X-ray single crystal diffraction Sample: hd8b41a
Heuer, M.; Huber, A. L.; Bromiley, G. D.; Fehr, K. T.; Bente, K.; Physics and Chemistry of Minerals 32 (2005) 552–563; doi:10.1007/s00269-005-0025-2

data_9010856
_publ_section_title
;Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite
 (CaZnSi2O6) solid solution series by X-ray single crystal diffraction Sample:
 hd8b41a
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              552
_journal_page_last               563
_journal_paper_doi               10.1007/s00269-005-0025-2
_journal_volume                  32
_journal_year                    2005
_chemical_formula_sum            'Ca Fe0.789 O6 Si2 Zn0.211'
_chemical_name_mineral           Hedenbergite
_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                 105.138
_cell_angle_gamma                90
_cell_length_a                   9.8605
_cell_length_b                   9.0304
_cell_length_c                   5.2690
_cell_formula_units_Z            4
_cell_volume                     452.894
_database_code_amcsd             0008999
_exptl_crystal_density_diffrn    3.668
_cod_original_formula_sum        'Ca (Zn.211 Fe.789) Si2 O6'
_cod_database_code               9010856
Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6) solid solution series by X-ray single crystal diffraction Sample: hd7gb21
Heuer, M.; Huber, A. L.; Bromiley, G. D.; Fehr, K. T.; Bente, K.; Physics and Chemistry of Minerals 32 (2005) 552–563; doi:10.1007/s00269-005-0025-2

data_9010857
_publ_section_title
;Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite
 (CaZnSi2O6) solid solution series by X-ray single crystal diffraction Sample:
 hd7gb21
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              552
_journal_page_last               563
_journal_paper_doi               10.1007/s00269-005-0025-2
_journal_volume                  32
_journal_year                    2005
_chemical_formula_sum            'Ca Fe0.835 O6 Si2 Zn0.165'
_chemical_name_mineral           Hedenbergite
_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                 105.052
_cell_angle_gamma                90
_cell_length_a                   9.8502
_cell_length_b                   9.0294
_cell_length_c                   5.2584
_cell_formula_units_Z            4
_cell_volume                     451.643
_database_code_amcsd             0009000
_exptl_crystal_density_diffrn    3.672
_cod_original_formula_sum        'Ca (Zn.165 Fe.835) Si2 O6'
_cod_database_code               9010857
Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6) solid solution series by X-ray single crystal diffraction Sample: hd4gb31
Heuer, M.; Huber, A. L.; Bromiley, G. D.; Fehr, K. T.; Bente, K.; Physics and Chemistry of Minerals 32 (2005) 552–563; doi:10.1007/s00269-005-0025-2

data_9010858
_publ_section_title
;Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite
 (CaZnSi2O6) solid solution series by X-ray single crystal diffraction Sample:
 hd4gb31
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              552
_journal_page_last               563
_journal_paper_doi               10.1007/s00269-005-0025-2
_journal_volume                  32
_journal_year                    2005
_chemical_formula_sum            'Ca Fe0.504 O6 Si2 Zn0.496'
_chemical_name_mineral           Hedenbergite
_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                 105.342
_cell_angle_gamma                90
_cell_length_a                   9.8447
_cell_length_b                   9.0175
_cell_length_c                   5.2614
_cell_formula_units_Z            4
_cell_volume                     450.434
_database_code_amcsd             0009001
_exptl_crystal_density_diffrn    3.728
_cod_original_formula_sum        'Ca Zn.496 Fe.504 Si2 O6'
_cod_database_code               9010858
Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6) solid solution series by X-ray single crystal diffraction Sample: hd3gb31
Heuer, M.; Huber, A. L.; Bromiley, G. D.; Fehr, K. T.; Bente, K.; Physics and Chemistry of Minerals 32 (2005) 552–563; doi:10.1007/s00269-005-0025-2

data_9010859
_publ_section_title
;Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite
 (CaZnSi2O6) solid solution series by X-ray single crystal diffraction Sample:
 hd3gb31
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              552
_journal_page_last               563
_journal_paper_doi               10.1007/s00269-005-0025-2
_journal_volume                  32
_journal_year                    2005
_chemical_formula_sum            'Ca Fe0.413 O6 Si2 Zn0.587'
_chemical_name_mineral           Hedenbergite
_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                 105.435
_cell_angle_gamma                90
_cell_length_a                   9.8369
_cell_length_b                   9.0043
_cell_length_c                   5.2605
_cell_formula_units_Z            4
_cell_volume                     449.140
_database_code_amcsd             0009002
_exptl_crystal_density_diffrn    3.752
_cod_original_formula_sum        'Ca (Zn.587 Fe.413) Si2 O6'
_cod_database_code               9010859
Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6) solid solution series by X-ray single crystal diffraction Sample: pd9_1b
Heuer, M.; Huber, A. L.; Bromiley, G. D.; Fehr, K. T.; Bente, K.; Physics and Chemistry of Minerals 32 (2005) 552–563; doi:10.1007/s00269-005-0025-2

data_9010860
_publ_section_title
;Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite
 (CaZnSi2O6) solid solution series by X-ray single crystal diffraction Sample:
 pd9_1b
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              552
_journal_page_last               563
_journal_paper_doi               10.1007/s00269-005-0025-2
_journal_volume                  32
_journal_year                    2005
_chemical_formula_sum            'Ca O6 Si2 Zn'
_chemical_name_mineral           Petedunnite
_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                 105.794
_cell_angle_gamma                90
_cell_length_a                   9.8243
_cell_length_b                   8.9939
_cell_length_c                   5.2608
_cell_formula_units_Z            4
_cell_volume                     447.289
_database_code_amcsd             0009003
_exptl_crystal_density_diffrn    3.826
_cod_original_formula_sum        'Ca Zn Si2 O6'
_cod_database_code               9010860
Structural changes and oxidation of ferroan phlogopite with increasing temperature: in situ neutron powder diffraction and Fourier transform infrared spectroscopy Sample: T = -263 C
Chon, C.-M.; Lee, C.-K.; Song, Y.; Kim, S. A.; Physics and Chemistry of Minerals 33 (2006) 289–299; doi:10.1007/s00269-005-0045-y

data_9010861
_publ_section_title
;
 Structural changes and oxidation of ferroan phlogopite with increasing
 temperature: in situ neutron powder diffraction and Fourier transform
 infrared spectroscopy
 Sample: T = -263 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              289
_journal_page_last               299
_journal_paper_doi               10.1007/s00269-005-0045-y
_journal_volume                  33
_journal_year                    2006
_chemical_compound_source        'Quebec, Canada'
_chemical_formula_sum
'Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12'
_chemical_name_mineral           Phlogopite
_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                 100.078
_cell_angle_gamma                90
_cell_length_a                   5.3022
_cell_length_b                   9.1833
_cell_length_c                   10.1795
_cell_formula_units_Z            2
_cell_volume                     488.009
_database_code_amcsd             0009031
_diffrn_ambient_temperature      10.15
_exptl_crystal_density_diffrn    2.953
_cod_original_formula_sum
'K Mg2.28 Fe.42 Al1.42 Ti.12 Si2.76 O11.8 H1.8 F.2'
_cod_database_code               9010861
Structural changes and oxidation of ferroan phlogopite with increasing temperature: in situ neutron powder diffraction and Fourier transform infrared spectroscopy Sample: T = 25 C
Chon, C.-M.; Lee, C.-K.; Song, Y.; Kim, S. A.; Physics and Chemistry of Minerals 33 (2006) 289–299; doi:10.1007/s00269-005-0045-y

data_9010862
_publ_section_title
;
 Structural changes and oxidation of ferroan phlogopite with increasing
 temperature: in situ neutron powder diffraction and Fourier transform
 infrared spectroscopy
 Sample: T = 25 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              289
_journal_page_last               299
_journal_paper_doi               10.1007/s00269-005-0045-y
_journal_volume                  33
_journal_year                    2006
_chemical_compound_source        'Quebec, Canada'
_chemical_formula_sum
'Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12'
_chemical_name_mineral           Phlogopite
_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                 100.067
_cell_angle_gamma                90
_cell_length_a                   5.3134
_cell_length_b                   9.2042
_cell_length_c                   10.2093
_cell_formula_units_Z            2
_cell_volume                     491.605
_database_code_amcsd             0009032
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    2.932
_cod_original_formula_sum
'K Mg2.28 Fe.42 Al1.42 Ti.12 Si2.76 O11.8 H1.8 F.2'
_cod_database_code               9010862
Structural changes and oxidation of ferroan phlogopite with increasing temperature: in situ neutron powder diffraction and Fourier transform infrared spectroscopy Sample: T = 100 C
Chon, C.-M.; Lee, C.-K.; Song, Y.; Kim, S. A.; Physics and Chemistry of Minerals 33 (2006) 289–299; doi:10.1007/s00269-005-0045-y

data_9010863
_publ_section_title
;
 Structural changes and oxidation of ferroan phlogopite with increasing
 temperature: in situ neutron powder diffraction and Fourier transform
 infrared spectroscopy
 Sample: T = 100 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              289
_journal_page_last               299
_journal_paper_doi               10.1007/s00269-005-0045-y
_journal_volume                  33
_journal_year                    2006
_chemical_compound_source        'Quebec, Canada'
_chemical_formula_sum
'Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12'
_chemical_name_mineral           Phlogopite
_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                 100.070
_cell_angle_gamma                90
_cell_length_a                   5.3181
_cell_length_b                   9.2123
_cell_length_c                   10.2202
_cell_formula_units_Z            2
_cell_volume                     492.994
_database_code_amcsd             0009033
_diffrn_ambient_temperature      373.15
_exptl_crystal_density_diffrn    2.923
_cod_original_formula_sum
'K Mg2.28 Fe.42 Al1.42 Ti.12 Si2.76 O11.8 H1.8 F.2'
_cod_database_code               9010863
Structural changes and oxidation of ferroan phlogopite with increasing temperature: in situ neutron powder diffraction and Fourier transform infrared spectroscopy Sample: T = 200 C
Chon, C.-M.; Lee, C.-K.; Song, Y.; Kim, S. A.; Physics and Chemistry of Minerals 33 (2006) 289–299; doi:10.1007/s00269-005-0045-y

data_9010864
_publ_section_title
;
 Structural changes and oxidation of ferroan phlogopite with increasing
 temperature: in situ neutron powder diffraction and Fourier transform
 infrared spectroscopy
 Sample: T = 200 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              289
_journal_page_last               299
_journal_paper_doi               10.1007/s00269-005-0045-y
_journal_volume                  33
_journal_year                    2006
_chemical_compound_source        'Quebec, Canada'
_chemical_formula_sum
'Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12'
_chemical_name_mineral           Phlogopite
_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                 100.079
_cell_angle_gamma                90
_cell_length_a                   5.3247
_cell_length_b                   9.2245
_cell_length_c                   10.2371
_cell_formula_units_Z            2
_cell_volume                     495.063
_database_code_amcsd             0009034
_diffrn_ambient_temperature      473.15
_exptl_crystal_density_diffrn    2.911
_cod_original_formula_sum
'K Mg2.28 Fe.42 Al1.42 Ti.12 Si2.76 O11.8 H1.8 F.2'
_cod_database_code               9010864
Structural changes and oxidation of ferroan phlogopite with increasing temperature: in situ neutron powder diffraction and Fourier transform infrared spectroscopy Sample: T = 300 C
Chon, C.-M.; Lee, C.-K.; Song, Y.; Kim, S. A.; Physics and Chemistry of Minerals 33 (2006) 289–299; doi:10.1007/s00269-005-0045-y

data_9010865
_publ_section_title
;
 Structural changes and oxidation of ferroan phlogopite with increasing
 temperature: in situ neutron powder diffraction and Fourier transform
 infrared spectroscopy
 Sample: T = 300 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              289
_journal_page_last               299
_journal_paper_doi               10.1007/s00269-005-0045-y
_journal_volume                  33
_journal_year                    2006
_chemical_compound_source        'Quebec, Canada'
_chemical_formula_sum
'Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12'
_chemical_name_mineral           Phlogopite
_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                 100.084
_cell_angle_gamma                90
_cell_length_a                   5.3312
_cell_length_b                   9.2359
_cell_length_c                   10.2541
_cell_formula_units_Z            2
_cell_volume                     497.096
_database_code_amcsd             0009035
_diffrn_ambient_temperature      573.15
_exptl_crystal_density_diffrn    2.899
_cod_original_formula_sum
'K Mg2.28 Fe.42 Al1.42 Ti.12 Si2.76 O11.8 H1.8 F.2'
_cod_database_code               9010865
Structural changes and oxidation of ferroan phlogopite with increasing temperature: in situ neutron powder diffraction and Fourier transform infrared spectroscopy Sample: T = 400 C
Chon, C.-M.; Lee, C.-K.; Song, Y.; Kim, S. A.; Physics and Chemistry of Minerals 33 (2006) 289–299; doi:10.1007/s00269-005-0045-y

data_9010866
_publ_section_title
;
 Structural changes and oxidation of ferroan phlogopite with increasing
 temperature: in situ neutron powder diffraction and Fourier transform
 infrared spectroscopy
 Sample: T = 400 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              289
_journal_page_last               299
_journal_paper_doi               10.1007/s00269-005-0045-y
_journal_volume                  33
_journal_year                    2006
_chemical_compound_source        'Quebec, Canada'
_chemical_formula_sum
'Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12'
_chemical_name_mineral           Phlogopite
_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                 100.093
_cell_angle_gamma                90
_cell_length_a                   5.3377
_cell_length_b                   9.2455
_cell_length_c                   10.2729
_cell_formula_units_Z            2
_cell_volume                     499.119
_database_code_amcsd             0009036
_diffrn_ambient_temperature      673.15
_exptl_crystal_density_diffrn    2.887
_cod_original_formula_sum
'K Mg2.28 Fe.42 Al1.42 Ti.12 Si2.76 O11.8 H1.8 F.2'
_cod_database_code               9010866
Structural changes and oxidation of ferroan phlogopite with increasing temperature: in situ neutron powder diffraction and Fourier transform infrared spectroscopy Sample: T = 500 C
Chon, C.-M.; Lee, C.-K.; Song, Y.; Kim, S. A.; Physics and Chemistry of Minerals 33 (2006) 289–299; doi:10.1007/s00269-005-0045-y

data_9010867
_publ_section_title
;
 Structural changes and oxidation of ferroan phlogopite with increasing
 temperature: in situ neutron powder diffraction and Fourier transform
 infrared spectroscopy
 Sample: T = 500 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              289
_journal_page_last               299
_journal_paper_doi               10.1007/s00269-005-0045-y
_journal_volume                  33
_journal_year                    2006
_chemical_compound_source        'Quebec, Canada'
_chemical_formula_sum
'Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12'
_chemical_name_mineral           Phlogopite
_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                 100.092
_cell_angle_gamma                90
_cell_length_a                   5.3427
_cell_length_b                   9.2537
_cell_length_c                   10.2923
_cell_formula_units_Z            2
_cell_volume                     500.976
_database_code_amcsd             0009037
_diffrn_ambient_temperature      773.15
_exptl_crystal_density_diffrn    2.877
_cod_original_formula_sum
'K Mg2.28 Fe.42 Al1.42 Ti.12 Si2.76 O11.8 H1.8 F.2'
_cod_database_code               9010867