#------------------------------------------------------------------------------ #$Date: 2016-07-07 11:09:50 +0300 (Thu, 07 Jul 2016) $ #$Revision: 184280 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/42/9014238.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided the American Mineralogist Crystal Structure Database, # http://rruff.geo.arizona.edu/AMS/amcsd.php # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_9014238 loop_ _publ_author_name 'Elder, S.' 'Doerrer, L.' 'DiSalvo, F.' 'Parise, J.' 'Guyomard, D.' 'Tarascon, J.' _publ_section_title ; LiMoN2: the first metallic layered nitride _cod_database_code 1005011 ; _journal_name_full 'Chemistry of Materials' _journal_page_first 928 _journal_page_last 937 _journal_volume 4 _journal_year 1992 _chemical_formula_sum 'Li0.5 Mo0.5 N' _space_group_IT_number 146 _symmetry_space_group_name_Hall 'R 3' _symmetry_space_group_name_H-M 'R 3 :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 2.8674 _cell_length_b 2.8674 _cell_length_c 15.801 _cell_volume 112.510 _database_code_amcsd 0012199 _exptl_crystal_density_diffrn 5.796 _cod_duplicate_entry 1005011 _cod_original_sg_symbol_H-M 'R 3' _cod_original_formula_sum '(Mo.5 Li.5) N' _cod_database_code 9014238 _amcsd_formula_title 'Li Mo N2' loop_ _space_group_symop_operation_xyz x,y,z 2/3+x,1/3+y,1/3+z 1/3+x,2/3+y,2/3+z -y,x-y,z 2/3-y,1/3+x-y,1/3+z 1/3-y,2/3+x-y,2/3+z -x+y,-x,z 2/3-x+y,1/3-x,1/3+z 1/3-x+y,2/3-x,2/3+z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo1 0.00000 0.00000 0.00000 0.85000 Li1 0.00000 0.00000 0.00000 0.15000 Mo2 0.00000 0.00000 0.82900 0.15000 Li2 0.00000 0.00000 0.82900 0.85000 N1 0.00000 0.00000 0.25200 1.00000 N2 0.00000 0.00000 0.41410 1.00000