#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/14/1511473.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_1511473 loop_ _publ_author_name 'Muradyan, L.A.' 'Malakhova, L.F.' 'Burak, Ya.V.' 'Simonov, V.I.' 'Radaev, S.F.' _publ_section_title ; Atomic structure and electron density of lithium tetraborate Li2 B4 O7 ; _journal_name_full Kristallografiya _journal_page_first 1400 _journal_page_last 1407 _journal_volume 34 _journal_year 1989 _chemical_formula_sum 'B4 Li2 O7' _chemical_name_systematic 'Li2 (B4 O7)' _space_group_IT_number 110 _symmetry_space_group_name_Hall 'I 4bw -2c' _symmetry_space_group_name_H-M 'I 41 c d' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 9.479 _cell_length_b 9.479 _cell_length_c 10.29 _cell_volume 924.571 _citation_journal_id_ASTM KRISAJ _cod_data_source_file boron4-x_102.cif _cod_data_source_block B4Li2O7 _cod_original_cell_volume 924.5714 _cod_database_code 1511473 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x+1/2,z+1/4 -x+1/2,-y+1/2,z+1/2 y+1/2,-x,z+3/4 -x,y,z+1/2 -y,-x+1/2,z+3/4 x+1/2,-y+1/2,z y+1/2,x,z+1/4 x+1/2,y+1/2,z+1/2 -y+1/2,x+1,z+3/4 -x+1,-y+1,z+1 y+1,-x+1/2,z+5/4 -x+1/2,y+1/2,z+1 -y+1/2,-x+1,z+5/4 x+1,-y+1,z+1/2 y+1,x+1/2,z+3/4 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 O4 O-2 0 0 0 1 0.0 O3 O-2 0.1562 -0.0568 0.1811 1 0.0 O2 O-2 0.0671 0.1776 0.1562 1 0.0 Li1 Li+1 0.1497 0.1651 0.8508 1 0.0 B1 B+3 0.1681 0.0861 0.2007 1 0.0 B2 B+3 0.9463 0.1125 0.0824 1 0.0 O1 O-2 0.2817 0.1372 0.2653 1 0.0