#------------------------------------------------------------------------------ #$Date: 2016-02-13 19:28:24 +0000 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: svn://www.crystallography.net/cod/cif/1/53/25/1532590.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_1532590 loop_ _publ_author_name 'Ischenko, V.' 'Kienle, L.' 'Jansen, M.' _publ_section_title ; Formation and structure of (Li Si2 N3) - (Al N) solid solutions ; _journal_name_full 'Journal of Materials Science' _journal_page_first 5305 _journal_page_last 5317 _journal_volume 37 _journal_year 2002 _chemical_formula_sum 'Al Li N4 Si2' _chemical_name_systematic 'Li Al Si2 N4' _space_group_IT_number 36 _symmetry_space_group_name_Hall 'C 2c -2' _symmetry_space_group_name_H-M 'C m c 21' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 3 _cell_length_a 9.26 _cell_length_b 5.333 _cell_length_c 4.869 _cell_volume 240.449 _citation_journal_id_ASTM JMTSAS _cod_data_source_file Ischenko_JMTSAS_2002_441.cif _cod_data_source_block Al1Li1N4Si2 _cod_original_cell_volume 240.4487 _cod_original_formula_sum 'Al1 Li1 N4 Si2' _cod_database_code 1532590 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 N1 N-3 0.192 0.86 0.348 1 0.0 N2 N-3 0 0.29 0.424 1 0.0 Li2 Li+1 0.168 0.834 0.984 0.25 0.0 Al1 Al+3 0 0.333 0 0.25 0.0 Li1 Li+1 0 0.333 0 0.25 0.0 Si2 Si+4 0.168 0.834 0.984 0.5 0.0 Al2 Al+3 0.168 0.834 0.984 0.25 0.0 Si1 Si+4 0 0.333 0 0.5 0.0