#------------------------------------------------------------------------------ #$Date: 2013-05-02 23:51:31 +0300 (Thu, 02 May 2013) $ #$Revision: 84941 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/14/1511499.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_1511499 loop_ _publ_author_name 'Bannova, I.I.' 'Bubnova, R.S.' 'Filatov, S.K.' 'Krizhizhanovskaya, M.G.' _publ_section_title ; The crystal structure of Rb2 B4 O7 ; _journal_name_full Kristallografiya _journal_page_first 264 _journal_page_last 269 _journal_volume 42 _journal_year 1997 _chemical_formula_sum 'B4 O7 Rb2' _chemical_name_systematic 'Rb2 (B4 O7)' _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 103.4 _cell_angle_beta 101.4 _cell_angle_gamma 89.1 _cell_formula_units_Z 4 _cell_length_a 9.86 _cell_length_b 10.653 _cell_length_c 6.649 _cell_volume 665.653 _citation_journal_id_ASTM KRISAJ _[local]_cod_data_source_file boron4-x_129.cif _[local]_cod_data_source_block B4O7Rb2 _cod_original_cell_volume 665.6528 _cod_database_code 1511499 loop_ _symmetry_equiv_pos_as_xyz 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 Rb3 Rb+1 0.3798 0.4926 0.7575 1 0.0 O13 O-2 0.67 0.39 0.843 1 0.0 O2 O-2 0.1 0.135 0.793 1 0.0 B5 B+3 0.087 0.266 0.796 1 0.0 O1 O-2 0.788 0.024 0.024 1 0.0 B6 B+3 0.42 0.2 0.873 1 0.0 B7 B+3 0.791 0.149 0.15 1 0.0 B8 B+3 0.708 0.446 0.697 1 0.0 O9 O-2 0.842 0.168 0.36 1 0.0 O12 O-2 0.763 0.379 0.531 1 0.0 O3 O-2 0.342 0.099 0.814 1 0.0 O10 O-2 0.774 0.195 0.689 1 0.0 Rb2 Rb+1 0.5168 0.1234 0.3312 1 0.0 O8 O-2 0.983 0.308 0.668 1 0.0 Rb1 Rb+1 0.1231 0.05 0.3597 1 0.0 O14 O-2 0.753 0.247 0.061 1 0.0 O6 O-2 0.306 0.423 0.292 1 0.0 B4 B+3 0.69 0.25 0.837 1 0.0 O7 O-2 0.422 0.311 0.014 1 0.0 Rb4 Rb+1 0.9869 0.408 0.2357 1 0.0 O11 O-2 0.552 0.18 0.777 1 0.0 O5 O-2 0.181 0.357 0.932 1 0.0 B1 B+3 0.227 0.105 0.934 1 0.0 O4 O-2 0.256 0.197 0.132 1 0.0 B2 B+3 0.292 0.323 0.097 1 0.0 B3 B+3 0.837 0.26 0.567 1 0.0