LMucko/crystallography-open-database huggingface dataset:
New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 7.4 GPa
Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T.; Physics and Chemistry of Minerals 38 (2011) Online–first; doi:

data_9015392
_publ_section_title
;
 New insights into the high-pressure polymorphism of SiO2 cristobalite
 Note: P = 7.4 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              Online
_journal_page_last               first
_journal_volume                  38
_journal_year                    2011
_chemical_compound_source        'Ellora Caves, India'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           'Cristobalite II'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 119.7
_cell_angle_gamma                90
_cell_length_a                   7.894
_cell_length_b                   4.456
_cell_length_c                   8.582
_cell_formula_units_Z            8
_cell_volume                     262.220
_database_code_amcsd             0018350
_exptl_crystal_density_diffrn    3.044
_cod_original_formula_sum        'Si O2'
_cod_database_code               9015392
Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 423.3 K
Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A.; American Mineralogist 96 (2011) 1593–1605; doi:10.2138/am.2011.3714

data_9015393
_publ_section_title
;
 Static disorders of atoms and experimental determination of Debye temperature in
 pyrope: Low- and high-temperature single-crystal X-ray diffraction study
 Note: T = 423.3 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1593
_journal_page_last               1605
_journal_paper_doi               10.2138/am.2011.3714
_journal_volume                  96
_journal_year                    2011
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 Mg3 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                   11.4690
_cell_length_b                   11.4690
_cell_length_c                   11.4690
_cell_formula_units_Z            8
_cell_volume                     1508.609
_database_code_amcsd             0018544
_exptl_crystal_density_diffrn    3.550
_cod_original_formula_sum        'Mg3 Al2 Si3 O12'
_cod_database_code               9015393
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 24.19 GPa, T = 1273 K
Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.; American Mineralogist 97 (2012) 1417–1420; doi:10.2138/am.2012.3958

data_9015394
_publ_section_title
;
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M605, P = 24.19 GPa, T = 1273 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1417
_journal_page_last               1420
_journal_paper_doi               10.2138/am.2012.3958
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            Fe
_chemical_name_mineral           Iron
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.485
_cell_length_b                   3.485
_cell_length_c                   3.485
_cell_formula_units_Z            4
_cell_volume                     42.326
_database_code_amcsd             0019422
_exptl_crystal_density_diffrn    8.764
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9015394
_cod_duplicate_entry 9015321
X-ray powder structure determination of Li6 P6 O18 . 3(H2 O) _cod_database_code 1000489
Toumi, M.; Hlel, F.; Ben Chaabane, T.; Smiri, L.; Laligant, Y.; Emery, J.; European Journal of Solid State and Inorganic Chemistry 45 (1998) 689–697; doi:

data_9015395
_publ_section_title
;
 X-ray powder structure determination of Li6 P6 O18 . 3(H2 O)
 _cod_database_code 1000489
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              689
_journal_page_last               697
_journal_volume                  45
_journal_year                    1998
_chemical_formula_sum            'H2 Li2 O7 P2'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   15.7442
_cell_length_b                   15.7442
_cell_length_c                   12.5486
_cell_formula_units_Z            18
_cell_volume                     2693.811
_database_code_amcsd             0012632
_exptl_crystal_density_diffrn    2.106
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'P2 O7 Li2 H2'
_cod_database_code               9015395
_amcsd_formula_title             'H6 Li6 O21 P6'
_cod_duplicate_entry 1000489
Parameterization of energy and interactions in garnets: End-member properties
Ottonello, G.; Borketa, M.; Sciuto, P. F.; American Mineralogist 81 (1996) 429–447; doi:

data_9015396
_publ_section_title
;
 Parameterization of energy and interactions in garnets: End-member properties
;
_journal_name_full               'American Mineralogist'
_journal_page_first              429
_journal_page_last               447
_journal_volume                  81
_journal_year                    1996
_chemical_compound_source        'Calculated structure'
_chemical_formula_sum            'Fe2 Mn3 O12 Si3'
_chemical_name_mineral           Calderite
_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                   11.8288
_cell_length_b                   11.8288
_cell_length_c                   11.8288
_cell_formula_units_Z            8
_cell_volume                     1655.092
_database_code_amcsd             0018998
_exptl_crystal_density_diffrn    4.437
_cod_original_sg_symbol_H-M      'I a 3 d'
_cod_original_formula_sum        'Mn3 Fe2 Si3 O12'
_cod_database_code               9015396
Crystal structure and magnetic ordering in Er Fe6 Ge6 studied by X-ray, neutron diffraction and magnetic measurements _cod_database_code 1006127
Oleksyn, O.; Schobinger-Papamantellos P; Rodriguez-Carvajal J; Brueck, E.; Buschow, K.; Journal of Alloys and Compounds 257 (1997) 36–45; doi:

data_9015397
_publ_section_title
;
 Crystal structure and magnetic ordering in Er Fe6 Ge6 studied by X-ray,
 neutron diffraction and magnetic measurements
 _cod_database_code 1006127
;
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              36
_journal_page_last               45
_journal_volume                  257
_journal_year                    1997
_chemical_formula_sum            'Er3 Fe18 Ge18'
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.1008
_cell_length_b                   26.53181
_cell_length_c                   5.10768
_cell_formula_units_Z            2
_cell_volume                     1097.788
_database_code_amcsd             0012794
_exptl_crystal_density_diffrn    8.513
_cod_duplicate_entry             1006127
_cod_original_formula_sum        'Er3 Ge18 Fe18'
_cod_database_code               9015397
_amcsd_formula_title             'Er Fe6 Ge6'
High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, reversible phase transition with migration of chemical bonds Note: P = 0.0001 GPa Note: occupancies not refined
Olsen, L. A.; Balic Zunic, T.; Makovicky, E.; Inorganic Chemistry 47 (2008) 6756–6762; doi:10.1021/ic800380p

data_9015398
_publ_section_title
;
 High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced,
 reversible phase transition with migration of chemical bonds
 Note: P = 0.0001 GPa
 Note: occupancies not refined
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6756
_journal_page_last               6762
_journal_paper_doi               10.1021/ic800380p
_journal_volume                  47
_journal_year                    2008
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Bi2 Pb3 S6'
_chemical_name_mineral           Lillianite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-B 2 2b'
_symmetry_space_group_name_H-M   'B b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.540
_cell_length_b                   20.637
_cell_length_c                   4.1103
_cell_formula_units_Z            4
_cell_volume                     1148.520
_database_code_amcsd             0018400
_exptl_crystal_density_diffrn    7.125
_cod_original_cell_volume        1148.521
_cod_original_formula_sum        'Pb3 Bi2 S6'
_cod_database_code               9015398
Synthese, structure cristalline,conductivite ionique, et proprietes magnetiques d'un nouveau ferrite de type alumine beta Na1.3 K.6 Fe10.1 Zn.9 O17 _cod_database_code 1008437
Vincent, H.; Bekka, A.; Anne, M.; Joubert, J.; Journal of Solid State Chemistry 81 (1989) 181–191; doi:10.1016/0022-4596(89)90005-4

data_9015399
_publ_section_title
;
 Synthese, structure cristalline,conductivite ionique, et proprietes
 magnetiques d'un nouveau ferrite de type alumine beta Na1.3 K.6 Fe10.1 Zn.9 O17
 _cod_database_code 1008437
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              181
_journal_page_last               191
_journal_paper_doi               10.1016/0022-4596(89)90005-4
_journal_volume                  81
_journal_year                    1989
_chemical_formula_sum            'Fe11 Na2.4 O16.03'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.947
_cell_length_b                   5.947
_cell_length_c                   35.83
_cell_volume                     1097.421
_database_code_amcsd             0016343
_exptl_crystal_density_diffrn    4.201
_cod_depositor_comments
;
 Added the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2021-04-22
;
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Fe11 O16.03 Na2.4'
_cod_database_code               9015399
_amcsd_formula_title             'Fe10.99 Na2.4 O16.03'
_cod_duplicate_entry 1008437
Une nouvelle famille structurale: Les Oxydes Ln4-2xBa2+2xZn2-xO10-2x (Ln = La, Nd) _cod_database_code 1001181
Michel, C.; Er-Rakho L; Raveau, B.; Journal of Solid State Chemistry 42 (1982) 176–182; doi:10.1016/0022-4596(82)90265-1

data_9015400
_publ_section_title
;
 Une nouvelle famille structurale:
 Les Oxydes Ln4-2xBa2+2xZn2-xO10-2x (Ln = La, Nd)
 _cod_database_code 1001181
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              176
_journal_page_last               182
_journal_paper_doi               10.1016/0022-4596(82)90265-1
_journal_volume                  42
_journal_year                    1982
_chemical_formula_sum            'Ba La2 O5 Zn'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.914
_cell_length_b                   6.914
_cell_length_c                   11.594
_cell_formula_units_Z            4
_cell_volume                     554.233
_database_code_amcsd             0013473
_exptl_crystal_density_diffrn    6.718
_cod_duplicate_entry             1001181
_cod_original_formula_sum        '(La2 Ba) Zn O5'
_cod_database_code               9015400
_amcsd_formula_title             'Ba2 La4 O10 Zn2'
Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Generalized spherical-harmonic model
Sitepu, H.; Powder Diffraction 24 (2009) 315–326; doi:10.1154/1.3257906

data_9015401
_publ_section_title
;
 Texture and structural refinement using neutron diffraction data from
 molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy
 Note: Generalized spherical-harmonic model
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              315
_journal_page_last               326
_journal_paper_doi               10.1154/1.3257906
_journal_volume                  24
_journal_year                    2009
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mo O3'
_chemical_name_mineral           Molybdite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.9624
_cell_length_b                   13.860
_cell_length_c                   3.6971
_cell_formula_units_Z            4
_cell_volume                     203.041
_database_code_amcsd             0018894
_exptl_crystal_density_diffrn    4.709
_cod_database_code               9015401
Crystal structure determination of ankangite with one dimensional incommensurate modulation
Shi, N.; Ma, Z.; Liu, W.; Acta Petrologica et Mineralogica 10 (1991) 233–245; doi:

data_9015402
_publ_section_title
;
 Crystal structure determination of ankangite with one dimensional incommensurate modulation
;
_journal_name_full               'Acta Petrologica et Mineralogica'
_journal_page_first              233
_journal_page_last               245
_journal_volume                  10
_journal_year                    1991
_chemical_compound_source
'Shiti barite deposit, Ankang County, Shaanxi, China'
_chemical_formula_sum            'Ba9 O112 Ti36.4 V19.6'
_chemical_name_mineral           Ankangite
_space_group_IT_number           83
_symmetry_space_group_name_Hall  '-P 4'
_symmetry_space_group_name_H-M   'P 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.126
_cell_length_b                   10.126
_cell_length_c                   41.41
_cell_formula_units_Z            2
_cell_volume                     4246.011
_database_code_amcsd             0018319
_exptl_crystal_density_diffrn    4.512
_cod_original_formula_sum        'Ba9 (Ti36.4 V19.6) O112'
_cod_database_code               9015402
Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 2.82 GPa
Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T; Physics and Chemistry of Minerals 39 (2012) 399–412; doi:10.1007/s00269-012-0495-y

data_9015403
_publ_section_title
;
 Crystal-structure properties and the molecular nature of
 hydrostatically compressed realgar
 Note: P = 2.82 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              399
_journal_page_last               412
_journal_paper_doi               10.1007/s00269-012-0495-y
_journal_volume                  39
_journal_year                    2012
_chemical_compound_source        'Baia Sprie mine, Romania'
_chemical_formula_sum            'As S'
_chemical_name_mineral           Realgar
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.85
_cell_angle_gamma                90
_cell_length_a                   8.876
_cell_length_b                   12.887
_cell_length_c                   6.272
_cell_formula_units_Z            16
_cell_volume                     686.622
_database_code_amcsd             0019370
_exptl_crystal_density_diffrn    4.140
_cod_database_code               9015403
The ASnO3 (A = Ca, Sr) perovskites
Vegas, A.; Vallet-Regi, M.; Gonzalez-Calbet, J. M.; Alario-Franco, M. A.; Acta Crystallographica, Section B 42 (1986) 167–172; doi:10.1107/S0108768186098403

data_9015404
_publ_section_title
;
 The ASnO3 (A = Ca, Sr) perovskites
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              167
_journal_page_last               172
_journal_paper_doi               10.1107/S0108768186098403
_journal_volume                  42
_journal_year                    1986
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca O3 Sn'
_chemical_name_mineral           Megawite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.532
_cell_length_b                   5.681
_cell_length_c                   7.906
_cell_formula_units_Z            4
_cell_volume                     248.464
_database_code_amcsd             0018625
_exptl_crystal_density_diffrn    5.528
_cod_original_formula_sum        'Ca Sn O3'
_cod_database_code               9015404
Crystal structure and thermal behaviour of H2Ti3O7: a new defective ramsdellite form from Li/H exchange on Li2Ti3O7 _cod_database_code 1000112
Le Bail, A.; Fourquet, J.; Materials Research Bulletin 27 (1992) 75–85; doi:10.1016/0025-5408(92)90045-2

data_9015405
_publ_section_title
;
 Crystal structure and thermal behaviour of H2Ti3O7: a new
 defective ramsdellite form from Li/H exchange on Li2Ti3O7
 _cod_database_code 1000112
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              75
_journal_page_last               85
_journal_paper_doi               10.1016/0025-5408(92)90045-2
_journal_volume                  27
_journal_year                    1992
_chemical_formula_sum            'H0.571 O2 Ti0.857'
_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                   9.7689
_cell_length_b                   2.9212
_cell_length_c                   4.6745
_cell_formula_units_Z            4
_cell_volume                     133.396
_database_code_amcsd             0014363
_exptl_crystal_density_diffrn    3.665
_cod_original_formula_sum        'Ti.857 O2 H.571'
_cod_database_code               9015405
_amcsd_formula_title             H2Ti3O7
_cod_duplicate_entry 1000112
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 13.63 GPa, T = 1273 K
Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.; American Mineralogist 97 (2012) 1417–1420; doi:10.2138/am.2012.3958

data_9015406
_publ_section_title
;
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M605, P = 13.63 GPa, T = 1273 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1417
_journal_page_last               1420
_journal_paper_doi               10.2138/am.2012.3958
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            Fe
_chemical_name_mineral           Iron
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.545
_cell_length_b                   3.545
_cell_length_c                   3.545
_cell_formula_units_Z            4
_cell_volume                     44.550
_database_code_amcsd             0019411
_exptl_crystal_density_diffrn    8.326
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9015406
Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim19_q2, treated at 750 C for 80 min
Zema, M.; Tarantino, S. C.; Giorgiani, A.; Mineralogical Magazine 70 (2006) 319–328; doi:10.1180/0026461067030335

data_9015407
_publ_section_title
;
 Structural changes induced by cation ordering in ferrotapiolite
 Note: Crystal Kim19_q2, treated at 750 C for 80 min
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              319
_journal_page_last               328
_journal_paper_doi               10.1180/0026461067030335
_journal_volume                  70
_journal_year                    2006
_chemical_compound_source        'Kimito, Finland'
_chemical_formula_sum            'Fe1.001 Nb0.13 O6 Ta1.871'
_chemical_name_mineral           Tapiolite-(Fe)
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7531
_cell_length_b                   4.7531
_cell_length_c                   9.2219
_cell_formula_units_Z            2
_cell_volume                     208.341
_database_code_amcsd             0018711
_exptl_crystal_density_diffrn    8.011
_cod_original_formula_sum        'Fe1.001 Ta1.871 Nb.13 O6'
_cod_database_code               9015407
The solid solution BaFe12-2xCoxTixO19 (0<x<6): cationic distribution by neutron diffraction _cod_database_code 1006065
Cabanas, M.; Gonzalez-Calbet J; Rodriguez-Carvajal J; Vallet-Regi M; Journal of Solid State Chemistry 111 (1994) 229–237; doi:10.1006/jssc.1994.1222

data_9015408
_publ_section_title
;
 The solid solution BaFe12-2xCoxTixO19 (0<x<6): cationic
 distribution by neutron diffraction
 _cod_database_code 1006065
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              229
_journal_page_last               237
_journal_paper_doi               10.1006/jssc.1994.1222
_journal_volume                  111
_journal_year                    1994
_chemical_formula_sum            'Ba Co5.78 Fe5.94 O19 Ti6.28'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.9062
_cell_length_b                   5.9062
_cell_length_c                   23.342
_cell_formula_units_Z            2
_cell_volume                     705.156
_database_code_amcsd             0013810
_exptl_crystal_density_diffrn    6.661
_cod_duplicate_entry             1006065
_cod_original_formula_sum        'Ba Fe5.94 Ti6.28 Co5.78 O19'
_cod_database_code               9015408
_amcsd_formula_title             'Ba Co4.1 Fe3.84 O19 Ti4.06'