LMucko/crystallography-open-database huggingface dataset:
Orthorhombic to monoclinic phase transition in high-Ti-loaded TS-1:an attempt to locate Ti in the MFI framework by low temperature XRD
Marra, G.L.; Artioli, G.; Fitch, A.N.; Milanesio, M.; Lamberti, C.; Microporous and Mesoporous Materials 40 (2000) 85–94; doi:

data_1525926
_publ_section_title
;
 Orthorhombic to monoclinic phase transition in high-Ti-loaded TS-1:an
 attempt to locate Ti in the MFI framework by low temperature XRD
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              85
_journal_page_last               94
_journal_volume                  40
_journal_year                    2000
_chemical_formula_sum            'O192 Si93.91 Ti2.09'
_chemical_name_systematic        '(Ti2.09 Si93.91) O192'
_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                 90.264
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   19.88849
_cell_length_b                   20.09509
_cell_length_c                   13.3928
_cell_volume                     5352.523
_citation_journal_id_ASTM        MIMMFJ
_cod_data_source_file            Marra_MIMMFJ_2000_258.cif
_cod_data_source_block           O192Si93.91Ti2.09
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               1525926
Neutron and X-ray diffraction studies on Nd (Fe, Si)11 C1.5 alloy
Du Honglin; Zhang, B.-S.; Chang, H.; Zhang, X.-D.; Yang, Y.-C.; Yuanzineng Kexue Jishu 35 (2001) 289–292; doi:

data_1525927
_publ_section_title
;
 Neutron and X-ray diffraction studies on Nd (Fe, Si)11 C1.5 alloy
;
_journal_name_full               'Yuanzineng Kexue Jishu'
_journal_page_first              289
_journal_page_last               292
_journal_volume                  35
_journal_year                    2001
_chemical_formula_sum            'C1.213 Fe9.196 Nd Si1.804'
_chemical_name_systematic        'Nd (Fe9.196 Si1.804) C1.213'
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.1053
_cell_length_b                   10.1053
_cell_length_c                   6.5488
_cell_volume                     668.744
_citation_journal_id_ASTM        YKJIEZ
_cod_data_source_file            DuHonglin_YKJIEZ_2001_1979.cif
_cod_data_source_block           C1.213Fe9.196Nd1Si1.804
_cod_original_cell_volume        668.7444
_cod_original_formula_sum        'C1.213 Fe9.196 Nd1 Si1.804'
_cod_database_code               1525927
Structural and electronic characterization of Nd1.33 Na0.66 Mn0.66 Ti1.34 O6
Martin, P.; Lopez, M.L.; Ruiz, A.I.; Veiga, M.L.; Pico, C.; Journal of Alloys Compd. 323 (2001) 618–622; doi:

data_1525928
_publ_section_title
;
 Structural and electronic characterization of Nd1.33 Na0.66 Mn0.66 Ti1.34
 O6
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              618
_journal_page_last               622
_journal_volume                  323
_journal_year                    2001
_chemical_formula_sum            'Mn0.66 Na0.66 Nd1.33 O6 Ti1.34'
_chemical_name_systematic        '(Nd1.33 Na0.66) (Mn0.66 Ti1.34) O6'
_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_formula_units_Z            2
_cell_length_a                   5.438
_cell_length_b                   5.457
_cell_length_c                   7.68
_cell_volume                     227.905
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Martin_JALCEU_2001_1312.cif
_cod_data_source_block           Mn0.66Na0.66Nd1.33O6Ti1.34
_cod_original_cell_volume        227.9053
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_database_code               1525928
Ab initio study of Mg Si O3 low-clinoenstatite at high pressure
Duan, W.-H.; Karki, B.B.; Gu, B.L.; Wentzcovitch, R.M.; American Mineralogist 86 (2001) 762–766; doi:

data_1525929
_publ_section_title
;
 Ab initio study of Mg Si O3 low-clinoenstatite at high pressure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              762
_journal_page_last               766
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum            'Mg O3 Si'
_chemical_name_systematic        'Mg (Si O3)'
_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                 107.9
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.4876
_cell_length_b                   8.6682
_cell_length_c                   5.105
_cell_volume                     399.515
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Duan_AMMIAY_2001_904.cif
_cod_data_source_block           Mg1O3Si1
_cod_original_cell_volume        399.5148
_cod_original_formula_sum        'Mg1 O3 Si1'
_cod_database_code               1525929
Ab initio determination of La2 Mo4 O15 crystal structure from X-rays and neutron powder diffraction
Dubois, F.; Goutenoire, F.; Lacorre, P.; Laligant, Y.; Suard, E.; Journal of Solid State Chemistry 159 (2001) 228–233; doi:

data_1525930
_publ_section_title
;
 Ab initio determination of La2 Mo4 O15 crystal structure from X-rays and
 neutron powder diffraction
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              228
_journal_page_last               233
_journal_volume                  159
_journal_year                    2001
_chemical_formula_sum            'La2 Mo4 O15'
_chemical_name_systematic        'La2 (Mo4 O15)'
_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                 90.249
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.0357
_cell_length_b                   12.7737
_cell_length_c                   10.6408
_cell_volume                     1228.142
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Dubois_JSSCBI_2001_1594.cif
_cod_data_source_block           La2Mo4O15
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               1525930
Conductivity and magnetic properties of new Ln Mn O3 derivatives
Martin, P.; Pico, C.; Ruiz, A.I.; Lopez, M.L.; Campo, J.; Veiga, M.L.; Journal of Solid State Chemistry 161 (2001) 294–299; doi:

data_1525931
_publ_section_title
;
 Conductivity and magnetic properties of new Ln Mn O3 derivatives
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              294
_journal_page_last               299
_journal_volume                  161
_journal_year                    2001
_chemical_formula_sum            'Mn0.667 Na0.667 O6 Pr1.333 Ti1.333'
_chemical_name_systematic        '(Pr1.333 Na0.667) (Mn0.667 Ti1.333) O6'
_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_formula_units_Z            2
_cell_length_a                   5.4539
_cell_length_b                   5.449
_cell_length_c                   7.6944
_cell_volume                     228.664
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Martin_JSSCBI_2001_1694.cif
_cod_data_source_block           Mn0.667Na0.667O6Pr1.333Ti1.333
_cod_original_cell_volume        228.6645
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_database_code               1525931
Synthesis and crystal structure of 1,7-(N H3)2 B12 H10 * 0.5(H2 O)
Dudenkov, I.V.; Zhizhin, K.Yu.; Goeva, L.V.; Chernyavskii, A.S.; Katser, S.B.; Sergienko, V.S.; Solntsev, K.A.; Kuznetsov, N.T.; Zhurnal Neorganicheskoi Khimii 45 (2000) 2016–2019; doi:

data_1525932
_publ_section_title
;
 Synthesis and crystal structure of 1,7-(N H3)2 B12 H10 * 0.5(H2 O)
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              2016
_journal_page_last               2019
_journal_volume                  45
_journal_year                    2000
_chemical_formula_sum            'B12 H17 N2 O0.5'
_chemical_name_systematic        '(N H3)2 B12 H10 (H2 O)0.5'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   22.99
_cell_length_b                   10.293
_cell_length_c                   9.323
_cell_volume                     2206.158
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Dudenkov_ZNOKAQ_2000_845.cif
_cod_data_source_block           H17B12N2O0.5
_cod_original_formula_sum        'H17 B12 N2 O0.5'
_cod_database_code               1525932
Oxygen parameters of certain compounds with the garnet structure
Dukhovskaya, E.L.; Titova, A.G.; Saksonov, Yu.G.; Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 9 (1973) 809–813; doi:

data_1525933
_publ_section_title
;
 Oxygen parameters of certain compounds with the garnet structure
;
_journal_name_full
'Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy'
_journal_page_first              809
_journal_page_last               813
_journal_volume                  9
_journal_year                    1973
_chemical_formula_sum            'Eu3 Fe5 O12'
_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_formula_units_Z            8
_cell_length_a                   12.497
_cell_length_b                   12.497
_cell_length_c                   12.497
_cell_volume                     1951.719
_citation_journal_id_ASTM        IVNMAW
_cod_data_source_file            Dukhovskaya_IVNMAW_1973_641.cif
_cod_data_source_block           Eu3Fe5O12
_cod_database_code               1525933
Conductivity and magnetic properties of new Ln Mn O3 derivatives
Martin, P.; Ruiz, A.I.; Campo, J.; Lopez, M.L.; Pico, C.; Veiga, M.L.; Journal of Solid State Chemistry 161 (2001) 294–299; doi:

data_1525934
_publ_section_title
;
 Conductivity and magnetic properties of new Ln Mn O3 derivatives
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              294
_journal_page_last               299
_journal_volume                  161
_journal_year                    2001
_chemical_formula_sum            'Mn0.55 Na0.55 Nd1.45 O6 Ti1.45'
_chemical_name_systematic        '(Nd1.45 Na0.55) (Mn0.55 Ti1.45) O6'
_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_formula_units_Z            2
_cell_length_a                   5.426
_cell_length_b                   5.435
_cell_length_c                   7.694
_cell_volume                     226.898
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Martin_JSSCBI_2001_1696.cif
_cod_data_source_block           Mn0.55Na0.55Nd1.45O6Ti1.45
_cod_original_cell_volume        226.8984
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_database_code               1525934
Oxygen parameters of certain compounds with the garnet structure
Dukhovskaya, E.L.; Saksonov, Yu.G.; Titova, A.G.; Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 9 (1973) 809–813; doi:

data_1525935
_publ_section_title
;
 Oxygen parameters of certain compounds with the garnet structure
;
_journal_name_full
'Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy'
_journal_page_first              809
_journal_page_last               813
_journal_volume                  9
_journal_year                    1973
_chemical_formula_sum            'Fe5 O12 Tb3'
_chemical_name_systematic        'Tb3 Fe5 O12'
_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_formula_units_Z            8
_cell_length_a                   12.435
_cell_length_b                   12.435
_cell_length_c                   12.435
_cell_volume                     1922.814
_citation_journal_id_ASTM        IVNMAW
_cod_data_source_file            Dukhovskaya_IVNMAW_1973_648.cif
_cod_data_source_block           Fe5O12Tb3
_cod_original_cell_volume        1922.815
_cod_database_code               1525935
Structural study of the electron-doped manganites Sm0.1 Ca0.9 Mn O3 and Pr0.1 Sr0.9 Mn O3
Martin, C.; Andre, G.; Maignan, A.; Hervieu, M.; Raveau, B.; Savosta, M.M.; Jirak, Z.; Trounov, V.; Kurbakov, A.; Bouree, F.; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 62 (2000) 6442–6449; doi:

data_1525936
_publ_section_title
;
 Structural study of the electron-doped manganites Sm0.1 Ca0.9 Mn O3 and
 Pr0.1 Sr0.9 Mn O3
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              6442
_journal_page_last               6449
_journal_volume                  62
_journal_year                    2000
_chemical_formula_sum            'Ca0.9 Mn O3 Sm0.1'
_chemical_name_systematic        '(Sm0.1 Ca0.9) (Mn O3)'
_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_formula_units_Z            4
_cell_length_a                   5.3051
_cell_length_b                   7.4734
_cell_length_c                   5.2793
_cell_volume                     209.309
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Martin_PRBMDO_2000_503.cif
_cod_data_source_block           Ca0.9Mn1O3Sm0.1
_cod_original_cell_volume        209.3091
_cod_original_formula_sum        'Ca0.9 Mn1 O3 Sm0.1'
_cod_database_code               1525936
Oxygen parameters of certain comoounds with the garnet structure
Dukhovskaya, E.L.; Titova, A.G.; Saksonov, Yu.G.; Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 9 (1973) 809–813; doi:

data_1525937
_publ_section_title
;
 Oxygen parameters of certain comoounds with the garnet structure
;
_journal_name_full
'Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy'
_journal_page_first              809
_journal_page_last               813
_journal_volume                  9
_journal_year                    1973
_chemical_formula_sum            'Fe4.58 In0.42 O12 Y3'
_chemical_name_systematic        'Y3 In.42 Fe4.58 O12'
_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_formula_units_Z            8
_cell_length_a                   12.424
_cell_length_b                   12.424
_cell_length_c                   12.424
_cell_volume                     1917.716
_citation_journal_id_ASTM        IVNMAW
_cod_data_source_file            Dukhovskaya_IVNMAW_1973_654.cif
_cod_data_source_block           Fe4.58In0.42O12Y3
_cod_database_code               1525937
Structural study of the electron-doped manganites Sm0.1 Ca0.9 Mn O3and Pr0.1 Sr0.9 Mn O3
Martin, C.; Andre, G.; Hervieu, M.; Maignan, A.; Jirak, Z.; Raveau, B.; Kurbakov, A.; Savosta, M.M.; Bouree, F.; Trounov, V.; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 62 (2000) 6442–6449; doi:

data_1525938
_publ_section_title
;
 Structural study of the electron-doped manganites Sm0.1 Ca0.9 Mn O3and
 Pr0.1 Sr0.9 Mn O3
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              6442
_journal_page_last               6449
_journal_volume                  62
_journal_year                    2000
_chemical_formula_sum            'Mn O3 Pr0.1 Sr0.9'
_chemical_name_systematic        '(Pr0.1 Sr0.9) (Mn O3)'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8195
_cell_length_b                   3.8195
_cell_length_c                   3.8195
_cell_volume                     55.721
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Martin_PRBMDO_2000_504.cif
_cod_data_source_block           Mn1O3Pr0.1Sr0.9
_cod_original_cell_volume        55.72108
_cod_original_formula_sum        'Mn1 O3 Pr0.1 Sr0.9'
_cod_database_code               1525938
Oxygen parameters of certain compounds with the qarnet structure
Dukhovskaya, E.L.; Titova, A.G.; Saksonov, Yu.G.; Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 9 (1973) 809–813; doi:

data_1525939
_publ_section_title
;
 Oxygen parameters of certain compounds with the qarnet structure
;
_journal_name_full
'Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy'
_journal_page_first              809
_journal_page_last               813
_journal_volume                  9
_journal_year                    1973
_chemical_formula_sum            'Fe3.95 O12 Sc1.05 Y3'
_chemical_name_systematic        'Y3 Sc1.05 Fe3.95 O12'
_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_formula_units_Z            8
_cell_length_a                   12.462
_cell_length_b                   12.462
_cell_length_c                   12.462
_cell_volume                     1935.367
_citation_journal_id_ASTM        IVNMAW
_cod_data_source_file            Dukhovskaya_IVNMAW_1973_655.cif
_cod_data_source_block           Fe3.95O12Sc1.05Y3
_cod_database_code               1525939
Structural study of the electron-doped manganites Sm0.1 Ca0.9 Mn O3and Pr0.1 Sr0.9 Mn O3
Martin, C.; Maignan, A.; Hervieu, M.; Andre, G.; Jirak, Z.; Bouree, F.; Raveau, B.; Kurbakov, A.; Trounov, V.; Savosta, M.M.; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 62 (2000) 6442–6449; doi:

data_1525940
_publ_section_title
;
 Structural study of the electron-doped manganites Sm0.1 Ca0.9 Mn O3and
 Pr0.1 Sr0.9 Mn O3
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              6442
_journal_page_last               6449
_journal_volume                  62
_journal_year                    2000
_chemical_formula_sum            'Mn O3 Pr0.1 Sr0.9'
_chemical_name_systematic        '(Pr0.1 Sr0.9) (Mn O3)'
_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_formula_units_Z            4
_cell_length_a                   5.3605
_cell_length_b                   5.3605
_cell_length_c                   7.7099
_cell_volume                     221.544
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Martin_PRBMDO_2000_506.cif
_cod_data_source_block           Mn1O3Pr0.1Sr0.9
_cod_original_cell_volume        221.5437
_cod_original_formula_sum        'Mn1 O3 Pr0.1 Sr0.9'
_cod_database_code               1525940
Oxygen parameters of certain compounds with the garnet structure
Dukhovskaya, E.L.; Saksonov, Yu.G.; Titova, A.G.; Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 9 (1973) 809–813; doi:

data_1525941
_publ_section_title
;
 Oxygen parameters of certain compounds with the garnet structure
;
_journal_name_full
'Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy'
_journal_page_first              809
_journal_page_last               813
_journal_volume                  9
_journal_year                    1973
_chemical_formula_sum            'Er3 Ga5 O12'
_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_formula_units_Z            8
_cell_length_a                   12.254
_cell_length_b                   12.254
_cell_length_c                   12.254
_cell_volume                     1840.067
_citation_journal_id_ASTM        IVNMAW
_cod_data_source_file            Dukhovskaya_IVNMAW_1973_675.cif
_cod_data_source_block           Er3Ga5O12
_cod_database_code               1525941
Effect of crystal structure on the electrical properties of Ca Ti1-x Fex O3-d
Dunyushkina, L.A.; Gorbunov, Yu.A.; Neorganicheskie Materialy 37 (2001) 1364–1369; doi:

data_1525942
_publ_section_title
;
 Effect of crystal structure on the electrical properties of Ca Ti1-x Fex
 O3-d
;
_journal_name_full               'Neorganicheskie Materialy'
_journal_page_first              1364
_journal_page_last               1369
_journal_volume                  37
_journal_year                    2001
_chemical_formula_sum            'Ca0.999 Fe0.201 O2.899 Ti0.805'
_chemical_name_systematic        'Ca0.999 (Ti0.805 Fe0.201) O2.899'
_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_formula_units_Z            4
_cell_length_a                   5.3927
_cell_length_b                   5.4371
_cell_length_c                   7.6483
_cell_volume                     224.253
_citation_journal_id_ASTM        NMATEI
_cod_data_source_file            Dunyushkina_NMATEI_2001_1095.cif
_cod_data_source_block           Ca0.999Fe0.201O2.899Ti0.805
_cod_original_cell_volume        224.2531
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_database_code               1525942
Structural properties of Cu In3 Se5 and influence of growth conditions
Martin de Vidales, J.L.; Charbonnier, H.; Rueda, F.; Diaz, R.; Merino, J.M.; Leon, M.; Japanese Journal of Applied Physics, Part 1 39 (2000) 336–338; doi:

data_1525943
_publ_section_title
;
 Structural properties of Cu In3 Se5 and influence of growth conditions
;
_journal_name_full               'Japanese Journal of Applied Physics, Part 1'
_journal_page_first              336
_journal_page_last               338
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'Cu0.79 In2.04 Se3.6'
_space_group_IT_number           112
_symmetry_space_group_name_Hall  'P -4 2c'
_symmetry_space_group_name_H-M   'P -4 2 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.7555
_cell_length_b                   5.7555
_cell_length_c                   11.524
_cell_volume                     381.741
_citation_journal_id_ASTM        JAPNDE
_cod_data_source_file            MartindeVidales_JAPNDE_2000_133.cif
_cod_data_source_block           Cu0.79In2.04Se3.6
_cod_original_cell_volume        381.7415
_cod_database_code               1525943