#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/10/1511036.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_1511036 loop_ _publ_author_name 'Grossholz, H.' 'Mueller-Bunz, H.' 'Schleid, T.' _publ_section_title ; Einkristalle des Cer(III)-Borosilicats Ce3 (B Si O6) (Si O4) ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 1436 _journal_page_last 1438 _journal_paper_doi 10.1002/1521-3749(200107)627:7<1436::AID-ZAAC1436>3.0.CO;2-# _journal_volume 627 _journal_year 2001 _chemical_formula_sum 'B Ce3 O10 Si2' _chemical_name_systematic 'Ce3 (B Si O6) (Si O4)' _space_group_IT_number 61 _symmetry_space_group_name_Hall '-P 2ac 2ab' _symmetry_space_group_name_H-M 'P b c a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 9.9007 _cell_length_b 7.2036 _cell_length_c 23.292 _cell_volume 1661.201 _citation_journal_id_ASTM ZAACAB _cod_data_source_file boron0-1_119.cif _cod_data_source_block B1Ce3O10Si2 _cod_original_formula_sum 'B1 Ce3 O10 Si2' _cod_database_code 1511036 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z+1/2 x+1/2,-y+1/2,-z -x,y+1/2,-z+1/2 -x,-y,-z x-1/2,y,-z-1/2 -x-1/2,y-1/2,z x,-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 Ce1 Ce+3 0.49081 0.35931 0.42785 1 0.0 Si2 Si+4 0.4394 0.3168 0.27907 1 0.0 O9 O-2 0.3921 0.4658 0.3267 1 0.0 O8 O-2 0.4028 0.3675 0.2122 1 0.0 O6 O-2 0.4597 0.5337 0.0998 1 0.0 O3 O-2 0.3621 0.3374 0.0078 1 0.0 B1 B+3 0.2448 0.3479 0.9714 1 0.0 O7 O-2 0.6041 0.2983 0.2786 1 0.0 O5 O-2 0.2273 0.3512 0.1092 1 0.0 O10 O-2 0.348 0.1327 0.2902 1 0.0 Ce2 Ce+3 0.13446 0.32666 0.33705 1 0.0 O2 O-2 0.1286 0.424 0.9916 1 0.0 O4 O-2 0.4505 0.1733 0.1051 1 0.0 Si1 Si+4 0.3759 0.3548 0.07796 1 0.0 O1 O-2 0.2622 0.2732 0.9184 1 0.0 Ce3 Ce+3 0.26799 0.09182 0.18223 1 0.0