#------------------------------------------------------------------------------ #$Date: 2015-07-13 07:41:07 +0300 (Mon, 13 Jul 2015) $ #$Revision: 150119 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/81/1528166.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1528166 loop_ _publ_author_name 'Viswanathan, K.' 'Brandt, K.' 'Salje, E.' _publ_section_title ; Crystal structure and charge carrier concentration of W18 O49 ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 45 _journal_page_last 51 _journal_volume 36 _journal_year 1981 _chemical_formula_sum 'O49 W18' _chemical_name_systematic 'W18 O49' _space_group_IT_number 10 _symmetry_space_group_name_Hall '-P 2y' _symmetry_space_group_name_H-M 'P 1 2/m 1' _cell_angle_alpha 90 _cell_angle_beta 115.2 _cell_angle_gamma 90 _cell_formula_units_Z 1 _cell_length_a 18.334 _cell_length_b 3.786 _cell_length_c 14.044 _cell_volume 882.052 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Viswanathan_JSSCBI_1981_1333.cif _cod_data_source_block O49W18 _cod_original_cell_volume 882.0521 _cod_database_code 1528166 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,-z -x,-y,-z x,-y,z loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv W2 W+6 0.0863 0.5 0.2867 1 0.0 O2 O-2 0.0849 0 0.2803 1 0.0 O3 O-2 0.1305 0 0.7654 1 0.0 O13 O-2 0.1334 0.5 0.4293 1 0.0 O8 O-2 0.41 0 0.5405 1 0.0 O22 O-2 0.355 0.5 0.01 1 0.0 W1 W+5 0.0729 0.5 0.0017 1 0.0 O1 O-2 0.0792 0 0.0039 1 0.0 O12 O-2 0.1267 0.5 0.9112 1 0.0 W7 W+5 0.3582 0.5 0.864 1 0.0 W3 W+6 0.127 0.5 0.7589 1 0.0 O23 O-2 0.44 0.5 0.845 1 0.0 O15 O-2 0.1825 0.5 0.1014 1 0.0 W9 W+5 0.4529 0.5 0.1681 1 0.0 O14 O-2 0.14 0.5 0.645 1 0.0 O7 O-2 0.362 0 0.8761 1 0.0 O9 O-2 0.4501 0 0.1658 1 0.0 O16 O-2 0.187 0.5 0.283 1 0.0 O20 O-2 0.343 0.5 0.153 1 0.0 O5 O-2 0.259 0 0.0144 1 0.0 O17 O-2 0.247 0.5 0.8681 1 0.0 O18 O-2 0.287 0.5 0.71 1 0.0 W4 W+6 0.2214 0.5 0.5731 1 0.0 O4 O-2 0.217 0 0.5784 1 0.0 O6 O-2 0.2773 0 0.2453 1 0.0 W5 W+6 0.2559 0.5 0.0098 1 0.0 O24 O-2 0.525 0.5 0.315 1 0.0 O25 O-2 0.5 0.5 0.5 1 0.0 O10 O-2 0.024 0.5 0.7258 1 0.0 O21 O-2 0.3584 0.5 0.387 1 0.0 O11 O-2 0.0373 0.5 0.116 1 0.0 O19 O-2 0.3111 0.5 0.553 1 0.0 W6 W+5 0.2759 0.5 0.2519 1 0.0 W8 W+5 0.4141 0.5 0.5378 1 0.0