#------------------------------------------------------------------------------ #$Date: 2009-11-16 01:43:51 +0000 (Mon, 16 Nov 2009) $ #$Revision: 853 $ #$URL: svn://www.crystallography.net/cod/cif/2/2012362.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_2012362 _journal_name_full 'Acta Crystallographica, Section C' _journal_year 2001 _journal_volume 57 _journal_page_first 1367 _journal_page_last 1368 _publ_section_title ; CdBiO~2~Cl: synthesis and powder structure solution ; _space_group_IT_number 11 _symmetry_space_group_name_Hall '-P 2yb' _symmetry_space_group_name_H-M 'P 1 21/m 1' _[local]_cod_cif_authors_sg_H-M 'P 21/m' loop_ _publ_author_name 'Kirik, Sergei D.' 'Yakovleva, Ekaterina G.' 'Shimanskii, Aleksandr F.' 'Kovalev, Yurii G.' _chemical_name_common 'bismuth cadmium oxide chloride' _chemical_formula_moiety 'Cd Bi O2 Cl' _chemical_formula_sum 'Bi Cd Cl O2' _chemical_formula_structural 'Cd Bi O2 Cl' _chemical_formula_iupac 'Cd Bi O2 Cl' _chemical_formula_weight 388.84 _symmetry_cell_setting monoclinic loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,-z -x,y+1/2,-z x,1/2-y,z _cell_length_a 7.5878(7) _cell_length_b 4.1397(4) _cell_length_c 6.0594(6) _cell_angle_alpha 90 _cell_angle_beta 101.529(11) _cell_angle_gamma 90 _cell_volume 186.50(3) _cell_formula_units_Z 2 _cell_measurement_temperature 293 _diffrn_ambient_temperature 295 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_thermal_displace_type _atom_site_occupancy _atom_site_type_symbol O1 .864(2) .2500 .513(2) .0199(5) Uiso 1 O O2 .400(2) .2500 .555(2) .02115(9) Uiso 1 O Cl .8182(9) .7500 .0360(10) .00106(11) Uiso 1 Cl Cd .9092(4) .7500 .6637(4) .00798(11) Uiso 1 Cd Bi .5954(2) .2500 .3101(2) .00139(6) Uiso 1 Bi loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Bi O1 . . 2.160(14) yes Bi O2 . . 2.298(15) yes Bi O2 . 3_656 2.223(5) yes Bi O2 . 3_646 2.222(5) yes Cd O2 . 3_656 2.453(14) yes Cd O1 . 3_756 2.201(16) yes Cd O1 . . 2.261(5) yes Cd O1 . 1_565 2.259(5) yes Cd Cl . 1_556 2.488(7) yes