#------------------------------------------------------------------------------ #$Date: 2012-02-28 12:14:52 +0000 (Tue, 28 Feb 2012) $ #$Revision: 35911 $ #$URL: svn://www.crystallography.net/cod/cif/8/10/09/8100909.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_8100909 _journal_name_full 'Zeitschrift fur Kristallographie - NCS' _journal_year 2001 _publ_section_title ; Rubidium niobium tungstate, Rb0.3NbyW1-yO3 ; loop_ _publ_author_name 'Gesing, Thorsten M.' 'R\"uscher, Claus H.' 'Hussain, Altaf' data RbNbWO3b _chemical_formula_sum 'Nb0.19 O3 Rb0.3 W0.81' _[local]_cod_chemical_formula_sum_orig 'Rb0.30 Nb0.19 W0.81 O3' _chemical_formula_structural 'Rb0.3Nb0.2W0.8O3' _chemical_formula_analytical 'Rb0.3Nb0.2W0.8O3' _chemical_formula_weight 239.303 _chemical_formula_weight_meas 239.133 _refine_ls_R_factor_obs 0.017 _cell_length_a 7.3887(16) _cell_length_b 7.3887(16) _cell_length_c 7.5615(12) _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 120.000 _cell_volume 357.5(1) _cell_formula_units_Z 6 _exptl_crystal_density_meas 6.689 _symmetry_int_tables_number 193 _symmetry_space_group_name_H-M 'P 63/m c m' _symmetry_space_group_name_Hall '-P_6c_2' _diffrn_ambient_temperature 293(2) 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_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_attached_hydrogens _atom_site_calc_flag _atom_site_thermal_displace_type _atom_site_u_iso_or_equiv Rb Rb 0.0000 0.0000 0.0000 0.89(4) 2 b ? d Uiso 1.3(7) Nb Nb 0.4800(9) 0.0000 0.2500 0.19(3) 6 g ? d Uiso 0.16(9) W W 0.4800(9) 0.0000 0.2500 0.81(3) 6 g ? d Uiso 0.16(9) O1 O 0.5000 0.0000 0.0000 1.0000 6 f ? d Uiso 1.9(3) O2 O 0.3765(42) 0.1608(51) 0.2500 1.0000 12 j ? d Uiso 1.9(3) _cod_database_code 8100909