#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/67/1536759.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_1536759 loop_ _publ_author_name 'Klevtsova, R.F.' 'Glinskaya, L.A.' 'Alekseev, V.I.' 'Khal'baeva, K.M.' 'Khaikina, E.G.' _publ_section_title ; Crystal structure study of a triple molybdate LiRbBi2(MoO4)4 ; _journal_name_full 'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)' _journal_page_first 152 _journal_page_last 156 _journal_volume 34 _journal_year 1993 _chemical_formula_sum 'Bi2 Li Mo4 O16 Rb' _chemical_name_systematic 'Li Rb Bi2 (Mo O4)4' _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90 _cell_angle_beta 92.583 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.3056 _cell_length_b 12.976 _cell_length_c 19.578 _cell_volume 1346.487 _citation_journal_id_ASTM ZSTKAI _cod_data_source_file Klevtsova_ZSTKAI_1993_1382.cif _cod_data_source_block Bi2Li1Mo4O16Rb1 _cod_original_formula_sum 'Bi2 Li1 Mo4 O16 Rb1' _cod_database_code 1536759 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,-z+1/2 -x,-y,-z x,-y,z-1/2 x+1/2,y+1/2,z -x+1/2,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z x+1/2,-y+1/2,z-1/2 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_U_iso_or_equiv Li1 Li+1 0.5 0.185 0.25 1 0.0 O1 O-2 -0.2471 0.3484 0.1349 1 0.0 O4 O-2 0.1732 0.2411 0.0699 1 0.0 Bi1 Bi+3 0.50469 0.35104 0.03575 1 0.0 O6 O-2 0.7303 -0.0409 0.1042 1 0.0 Rb1 Rb+1 0.5 0.46904 0.25 1 0.0 Mo1 Mo+6 0.00812 0.25745 0.14961 1 0.0 Mo2 Mo+6 0.51721 0.06216 0.09249 1 0.0 O3 O-2 0.2285 0.2933 0.213 1 0.0 O7 O-2 0.3944 0.0915 0.1708 1 0.0 O5 O-2 0.2541 0.019 0.0397 1 0.0 O2 O-2 -0.127 0.1431 0.1735 1 0.0 O8 O-2 0.6556 0.1702 0.0452 1 0.0