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| 2 | #(C) 2016 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure. All rights reserved.
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| 3 | data_20314-ICSD
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| 4 | _database_code_ICSD 20314
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| 5 | _audit_creation_date 1980-01-01
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| 6 | _audit_update_record 2007-04-01
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| 7 | _chemical_name_systematic 'Tungsten dichromium(IV) oxide'
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| 8 | _chemical_formula_structural 'W Cr2 O6'
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| 9 | _chemical_formula_sum 'Cr2 O6 W1'
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| 10 | _chemical_name_structure_type ZnSb2O6
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| 11 | _exptl_crystal_density_diffrn 6.89
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| 12 | _publ_section_title
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| 13 |
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| 14 | ;
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| 15 | About the interaction between the trioxides of molybdenum and tungsten and
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| 16 | iron and chromium sesquioxides
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| 17 | ;
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| 18 | loop_
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| 19 | _citation_id
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| 20 | _citation_journal_full
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| 21 | _citation_year
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| 22 | _citation_journal_volume
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| 23 | _citation_page_first
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| 24 | _citation_page_last
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| 25 | _citation_journal_id_ASTM
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| 26 | primary 'Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy' 1966 2 151 154
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| 27 | IVNMAW
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| 28 | loop_
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| 29 | _publ_author_name
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| 30 | 'Trunov, V.K.'
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| 31 | 'Kovba, L.M.'
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| 32 | _cell_length_a 4.571
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| 33 | _cell_length_b 4.571
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| 34 | _cell_length_c 8.853
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| 35 | _cell_angle_alpha 90.
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| 36 | _cell_angle_beta 90.
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| 37 | _cell_angle_gamma 90.
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| 38 | _cell_volume 184.97
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| 39 | _cell_formula_units_Z 2
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| 40 | _symmetry_space_group_name_H-M 'P 42/m n m'
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| 41 | _symmetry_Int_Tables_number 136
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| 42 | _refine_ls_R_factor_all 0.06
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| 43 | loop_
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| 44 | _symmetry_equiv_pos_site_id
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| 45 | _symmetry_equiv_pos_as_xyz
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| 46 | 1 '-y+1/2, x+1/2, -z+1/2'
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| 47 | 2 'y+1/2, -x+1/2, -z+1/2'
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| 48 | 3 'y, x, -z'
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| 49 | 4 '-y, -x, -z'
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| 50 | 5 'y+1/2, -x+1/2, z+1/2'
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| 51 | 6 '-y+1/2, x+1/2, z+1/2'
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| 52 | 7 '-y, -x, z'
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| 53 | 8 'y, x, z'
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| 54 | 9 'x+1/2, -y+1/2, -z+1/2'
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| 55 | 10 '-x+1/2, y+1/2, -z+1/2'
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| 56 | 11 'x, y, -z'
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| 57 | 12 '-x, -y, -z'
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| 58 | 13 '-x+1/2, y+1/2, z+1/2'
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| 59 | 14 'x+1/2, -y+1/2, z+1/2'
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| 60 | 15 '-x, -y, z'
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| 61 | 16 'x, y, z'
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| 62 | loop_
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| 63 | _atom_type_symbol
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| 64 | _atom_type_oxidation_number
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| 65 | W6+ 6
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| 66 | Cr3+ 3
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| 67 | O2- -2
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| 68 | loop_
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| 69 | _atom_site_label
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| 70 | _atom_site_type_symbol
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| 71 | _atom_site_symmetry_multiplicity
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| 72 | _atom_site_Wyckoff_symbol
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| 73 | _atom_site_fract_x
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| 74 | _atom_site_fract_y
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| 75 | _atom_site_fract_z
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| 76 | _atom_site_B_iso_or_equiv
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| 77 | _atom_site_occupancy
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| 78 | _atom_site_attached_hydrogens
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| 79 | W1 W6+ 2 a 0 0 0 . 1. 0
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| 80 | Cr1 Cr3+ 4 e 0 0 0.333 . 1. 0
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| 81 | O1 O2- 4 f 0.308 0.308 0 . 1. 0
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| 82 | O2 O2- 8 j 0.308 0.308 0.333 . 1. 0
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| 83 | #End of TTdata_20314-ICSD |
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