LMucko/crystallography-open-database huggingface dataset:
Crystal chemistry of synthetic Co- and Ni-analogues of natrochalcite - the shortest known hydrogen bonds among mineral-type compounds Part I: single-crystal X-ray structures Sample: T = 293 K
Krickl, R.; Wildner, M.; European Journal of Mineralogy 19 (2007) 805–816; doi:10.1127/0935-1221/2007/0019-1770

data_9010837
_publ_section_title
;
 Crystal chemistry of synthetic Co- and Ni-analogues of natrochalcite - the
 shortest known hydrogen bonds among mineral-type compounds
 Part I: single-crystal X-ray structures
 Sample: T = 293 K
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              805
_journal_page_last               816
_journal_paper_doi               10.1127/0935-1221/2007/0019-1770
_journal_volume                  19
_journal_year                    2007
_chemical_formula_sum            'Co2 Cr0.08 H3 K O10 Se1.92'
_chemical_name_mineral           KCoSe
_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                 113.99
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.078
_cell_length_b                   6.471
_cell_length_c                   7.687
_cell_volume                     412.555
_database_code_amcsd             0007251
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    3.830
_cod_original_cell_volume        412.556
_cod_original_formula_sum        'K Co2 (Se1.92 Cr.08) O10 H3'
_cod_database_code               9010837
_amcsd_formula_title             KCo2Se2O10H3
Chukanovite, Fe2(CO3)(OH)2, a new mineral from the weathered iron meteorite Dronino Locality: Dronino meteorite, Dronino village, Kasimov district, Ryazan Oblast, Russia
Pekov, I. V.; Perchiazzi, N.; Merlino, S.; Kalachev, V. N.; Merlini, M.; Zadov, A. E.; European Journal of Mineralogy 19 (2007) 891–898; doi:10.1127/0935-1221/2007/0019-1767

data_9010838
_publ_section_title
;Chukanovite, Fe2(CO3)(OH)2, a new mineral from the weathered iron meteorite
 Dronino Locality: Dronino meteorite, Dronino village, Kasimov district,
 Ryazan Oblast, Russia
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              891
_journal_page_last               898
_journal_paper_doi               10.1127/0935-1221/2007/0019-1767
_journal_volume                  19
_journal_year                    2007
_chemical_compound_source
'Dronino meteorite, Dronino village, Kasimov district, Ryazan Oblast, Russia'
_chemical_formula_sum            'C H2 Fe2 O5'
_chemical_name_mineral           Chukanovite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.78
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.396
_cell_length_b                   9.407
_cell_length_c                   3.2152
_cell_volume                     371.471
_database_code_amcsd             0007252
_exptl_crystal_density_diffrn    3.678
_cod_original_formula_sum        'Fe2 C O5 H2'
_cod_database_code               9010838
Behaviour of H2O and OH in lawsonite: a single-crystal neutron diffraction and Raman spectroscopic investigation Sample: T = 295 K
Kolesov, B. A.; Lager, G. A.; Schultz, A. J.; European Journal of Mineralogy 20 (2008) 63–72; doi:10.1127/0935-1221/2008/0020-1781

data_9010839
_publ_section_title
;Behaviour of H2O and OH in lawsonite: a single-crystal neutron diffraction
 and Raman spectroscopic investigation Sample: T = 295 K
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              63
_journal_page_last               72
_journal_paper_doi               10.1127/0935-1221/2008/0020-1781
_journal_volume                  20
_journal_year                    2008
_chemical_formula_sum            'Al2 Ca H4 O10 Si2'
_chemical_name_mineral           Lawsonite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.850
_cell_length_b                   8.790
_cell_length_c                   13.122
_cell_formula_units_Z            4
_cell_volume                     674.753
_diffrn_ambient_temperature      295
_exptl_crystal_density_diffrn    3.093
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-02-17
;
_cod_original_formula_sum        'Ca Al2 Si2 O10 H4'
_cod_database_code               9010839
_database_code_amcsd 0007253
Cassagnaite, a new, V-bearing silicate mineral from the Cassagna mine, northern Apennines, Italy
Basso, R.; Carbone, C.; Palenzona, A.; European Journal of Mineralogy 20 (2008) 95–100; doi:10.1127/0935-1221/2007/0019-1777

data_9010840
_publ_section_title
;
 Cassagnaite, a new, V-bearing silicate mineral from the Cassagna mine,
 northern Apennines, Italy
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              95
_journal_page_last               100
_journal_paper_doi               10.1127/0935-1221/2007/0019-1777
_journal_volume                  20
_journal_year                    2008
_chemical_compound_source
'Cassagna mine, northern Apennines, Liguria, Italy'
_chemical_formula_sum
'Al0.75 Ca1.65 Fe0.8 H3 Mg0.3 Mn1.05 O13 Si2.6 V0.35'
_chemical_name_mineral           Cassagnaite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.066
_cell_length_b                   8.908
_cell_length_c                   18.995
_cell_volume                     1026.412
_database_code_amcsd             0007254
_exptl_crystal_density_diffrn    3.222
_cod_original_formula_sum
'Ca1.65 Mn1.05 Fe.8 Al.75 V.35 Mg.3 Si2.6 O13 H3'
_cod_database_code               9010840
Al-Si order and spinodal decomposition texture of sanidine from igneous clasts of Stromboli (southern Italy): insights into the timing between the emplacement of a shallow basic sheet intrusion and the eruption of related ejecta Locality: Stromboli volcano, southern Italy
Menna, M.; Tribaudino, M.; Renzulli, A.; European Journal of Mineralogy 20 (2008) 183–190; doi:10.1127/0935-1221/2008/0020-1795

data_9010841
_publ_section_title
;Al-Si order and spinodal decomposition texture of sanidine from igneous
 clasts of Stromboli (southern Italy): insights into the timing between the
 emplacement of a shallow basic sheet intrusion and the eruption of related
 ejecta Locality: Stromboli volcano, southern Italy
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              183
_journal_page_last               190
_journal_paper_doi               10.1127/0935-1221/2008/0020-1795
_journal_volume                  20
_journal_year                    2008
_chemical_compound_source        'Stromboli volcano, southern Italy'
_chemical_formula_sum            'Al1.04 Ca0.04 K0.65 Na0.31 O8 Si2.96'
_chemical_name_mineral           Sanidine
_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                 116.10
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.437
_cell_length_b                   13.003
_cell_length_c                   7.172
_cell_volume                     706.580
_database_code_amcsd             0007255
_exptl_crystal_density_diffrn    2.569
_cod_original_cell_volume        706.581
_cod_original_formula_sum        '(K.65 Na.31 Ca.04) (Al1.04 Si2.96) O8'
_cod_database_code               9010841
Pyrometamorphic osumilite: occurrence, paragenesis, and crystal structure as compared to cordierite
Seryotkin, Y. V.; Sokol, E. V.; Bakakin, V. V.; Likhacheva, A. Y.; European Journal of Mineralogy 20 (2008) 191–198; doi:10.1127/0935-1221/2008/0020-1805

data_9010842
_publ_section_title
;
 Pyrometamorphic osumilite: occurrence, paragenesis, and crystal structure as
 compared to cordierite
;
_journal_coden_ASTM              EJMIER
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              191
_journal_page_last               198
_journal_paper_doi               10.1127/0935-1221/2008/0020-1805
_journal_volume                  20
_journal_year                    2008
_chemical_compound_source        'South Urals, Russia'
_chemical_formula_sum
'Al4.8 Fe0.26 K0.829 Mg1.78 Mn0.04 Na0.104 O30 Si10.08 Ti0.04'
_chemical_name_mineral           Osumilite
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.0999
_cell_length_b                   10.0999
_cell_length_c                   14.3355
_cell_volume                     1266.420
_database_code_amcsd             0007256
_exptl_crystal_density_diffrn    2.594
_cod_original_formula_sum
'Si10.08 Al4.8 Fe.26 O30 Mg1.78 Mn.04 Ti.04 K.829 Na.104'
_cod_database_code               9010842
Re-investigation of the crystal structure of magnesium astrophyllite
Sokolova, E.; Camara, F.; European Journal of Mineralogy 20 (2008) 253–260; doi:10.1127/0935-1221/2008/0020-1796

data_9010843
_publ_section_title
;
 Re-investigation of the crystal structure of magnesium astrophyllite
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              253
_journal_page_last               260
_journal_paper_doi               10.1127/0935-1221/2008/0020-1796
_journal_volume                  20
_journal_year                    2008
_chemical_compound_source
'Mt. Yukspor, Khibina alkaline massif, Kola Peninsula, Russia'
_chemical_formula_sum
'Ba0.01 Ca0.14 F0.17 Fe3.2 H4 K1.96 Mg2.05 Mn0.75 Na1.65 Nb0.03 O30 Si8 Ti1.97'
_chemical_name_mineral           Astrophyllite
_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                 99.615
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.3327
_cell_length_b                   23.1535
_cell_length_c                   10.3775
_cell_volume                     1263.317
_database_code_amcsd             0007257
_exptl_crystal_density_diffrn    3.155
_cod_original_formula_sum
'K1.96 Ba.01 Na1.65 Ca.14 Fe3.2 Mn.75 Mg2.05 (Ti1.97 Nb.03) Si8 O30 H4 F.17'
_cod_database_code               9010843
Uedaite-(Ce), a new member of the epidote group with Mn at the A site, from Shodoshima, Kagawa Prefecture, Japan
Miyawaki, R.; Yokoyama, K.; Matsubara, S.; Tsutsumi, Y.; Goto, A.; European Journal of Mineralogy 20 (2008) 261–269; doi:10.1127/0935-1221/2008/0020-1783

data_9010844
_publ_section_title
;
 Uedaite-(Ce), a new member of the epidote group with Mn at the A site, from
 Shodoshima, Kagawa Prefecture, Japan
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              261
_journal_page_last               269
_journal_paper_doi               10.1127/0935-1221/2008/0020-1783
_journal_volume                  20
_journal_year                    2008
_chemical_compound_source
'Shodoshima Island, Kagawa Prefecture, western Japan'
_chemical_formula_sum
'Al1.986 Ca0.35 Ce0.914 Fe1.1 H Mn0.65 O13 Si3'
_chemical_name_mineral           Uedaite-(Ce)
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 114.520
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.865
_cell_length_b                   5.717
_cell_length_c                   10.060
_cell_volume                     463.873
_database_code_amcsd             0007258
_exptl_crystal_density_diffrn    4.196
_cod_original_formula_sum
'(Mn.65 Ca.35) Ce.914 Fe1.1 Al1.986 Si3 O13 H'
_cod_database_code               9010844
Skorpionite, Ca3Zn2(PO4)2CO3(OH)2*H2O, a new mineral from Namibia: description and crystal structure Locality: near Rosh Pinah mine, Luderitz district, Karas region, Namibia, Africa
Krause, W.; Effenberger, H.; Bernhardt, H.-J.; Medenbach, O.; European Journal of Mineralogy 20 (2008) 271–280; doi:10.1127/0935-1221/2008/0020-1789

data_9010845
_publ_section_title
;Skorpionite, Ca3Zn2(PO4)2CO3(OH)2*H2O, a new mineral from Namibia:
 description and crystal structure Locality: near Rosh Pinah mine, Luderitz
 district, Karas region, Namibia, Africa
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              271
_journal_page_last               280
_journal_paper_doi               10.1127/0935-1221/2008/0020-1789
_journal_volume                  20
_journal_year                    2008
_chemical_formula_sum            'C H4 Ca3 O14 P2 Zn2'
_chemical_name_mineral           Skorpionite
_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                 92.73
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.045
_cell_length_b                   9.320
_cell_length_c                   6.525
_cell_volume                     1156.869
_database_code_amcsd             0007259
_exptl_crystal_density_diffrn    3.175
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-02-17
;
_cod_original_formula_sum        'Zn2 Ca3 P2 C O14 H4'
_cod_database_code               9010845
Surkhobite: revalidation and redefinition with the new formula, (Ba,K)2CaNa(Mn,Fe2+,Fe3+)8Ti4(Si2O7)4O4(F,OH,O)6
Rastsvetaeva, R. K.; Eskova, E. M.; Dusmatov, V. D.; Chukanov, N. V.; Schneider, F.; European Journal of Mineralogy 20 (2008) 289–295; doi:10.1127/0935-1221/2008/0020-1791

data_9010846
_publ_section_title
;
 Surkhobite: revalidation and redefinition with the new formula,
 (Ba,K)2CaNa(Mn,Fe2+,Fe3+)8Ti4(Si2O7)4O4(F,OH,O)6
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              289
_journal_page_last               295
_journal_paper_doi               10.1127/0935-1221/2008/0020-1791
_journal_volume                  20
_journal_year                    2008
_chemical_compound_source        'massif Darai-Pioz, Tajikistan'
_chemical_formula_sum
;Ba1.275 Ca0.8 F2.745 Fe3.91 H2 K0.65 Mn4.09 Na1.15 Nb0.285 O35.255 Si8 Sr0.05
 Ti3.585 Zr0.05
;
_chemical_name_mineral           Surkhobite
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.00
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.723
_cell_length_b                   13.826
_cell_length_c                   20.791
_cell_volume                     3070.665
_database_code_amcsd             0007261
_exptl_crystal_density_diffrn    3.790
_cod_original_formula_sum
;Ba1.275 K.65 Na1.15 Ca.8 Sr.05 Fe3.91 Mn4.09 Ti3.585 Nb.285 Zr.05 Si8 O35.255
 F2.745 H2
;
_cod_database_code               9010846
Struvite-(K), KMgPO4*6H2O, the potassium equivalent of struvite - a new mineral Locality: Lengenbach, Switzerland
Graeser, S.; Postl, W.; Bojar, H. P.; Berlepsch, P.; Armbruster, T.; Raber, T.; Ettinger, K.; Walter, F.; European Journal of Mineralogy 20 (2008) 629–633; doi:10.1127/0935-1221/2008/0020-1810

data_9010847
_publ_section_title
;Struvite-(K), KMgPO4*6H2O, the potassium equivalent of struvite - a new
 mineral Locality: Lengenbach, Switzerland
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              629
_journal_page_last               633
_journal_paper_doi               10.1127/0935-1221/2008/0020-1810
_journal_volume                  20
_journal_year                    2008
_chemical_compound_source        'Lengenbach, Switzerland'
_chemical_formula_sum            'H12 K Mg O10 P'
_chemical_name_mineral           Struvite-K
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.892
_cell_length_b                   6.166
_cell_length_c                   11.139
_cell_formula_units_Z            2
_cell_volume                     473.364
_database_code_amcsd             0007262
_exptl_crystal_density_diffrn    1.870
_cod_original_formula_sum        'K Mg P O10 H12'
_cod_database_code               9010847
The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.425
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_9010848
_publ_section_title
;
 The crystal structure of disordered (Zr,Ti)O2 solid solution
 Sample: XTi = 0.425
;
_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 Ti0.425 Zr0.575'
_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                   4.8495
_cell_length_b                   5.4635
_cell_length_c                   5.0462
_cell_formula_units_Z            4
_cell_volume                     133.700
_database_code_amcsd             0008983
_exptl_crystal_density_diffrn    5.206
_cod_original_formula_sum        '(Zr.575 Ti.425) O2'
_cod_database_code               9010848
The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.450
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_9010849
_publ_section_title
;
 The crystal structure of disordered (Zr,Ti)O2 solid solution
 Sample: XTi = 0.450
;
_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 Ti0.45 Zr0.55'
_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                   4.8349
_cell_length_b                   5.4801
_cell_length_c                   5.0439
_cell_formula_units_Z            4
_cell_volume                     133.642
_database_code_amcsd             0008984
_exptl_crystal_density_diffrn    5.155
_cod_original_formula_sum        '(Zr.55 Ti.45) O2'
_cod_database_code               9010849
The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.500
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_9010850
_publ_section_title
;
 The crystal structure of disordered (Zr,Ti)O2 solid solution
 Sample: XTi = 0.500
;
_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 Ti0.5 Zr0.5'
_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                   4.8069
_cell_length_b                   5.4785
_cell_length_c                   5.0339
_cell_formula_units_Z            4
_cell_volume                     132.566
_database_code_amcsd             0008985
_exptl_crystal_density_diffrn    5.088
_cod_original_formula_sum        '(Zr.5 Ti.5) O2'
_cod_database_code               9010850
The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.548
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_9010851
_publ_section_title
;
 The crystal structure of disordered (Zr,Ti)O2 solid solution
 Sample: XTi = 0.548
;
_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 Ti0.548 Zr0.452'
_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                   4.7762
_cell_length_b                   5.5010
_cell_length_c                   5.0253
_cell_formula_units_Z            4
_cell_volume                     132.034
_database_code_amcsd             0008986
_exptl_crystal_density_diffrn    5.004
_cod_original_formula_sum        '(Zr.452 Ti.548) O2'
_cod_database_code               9010851
The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.600
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_9010852
_publ_section_title
;
 The crystal structure of disordered (Zr,Ti)O2 solid solution
 Sample: XTi = 0.600
;
_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 Ti0.6 Zr0.4'
_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                   4.7447
_cell_length_b                   5.4925
_cell_length_c                   5.0119
_cell_formula_units_Z            4
_cell_volume                     130.611
_database_code_amcsd             0008987
_exptl_crystal_density_diffrn    4.944
_cod_original_formula_sum        '(Zr.4 Ti.6) O2'
_cod_database_code               9010852