#------------------------------------------------------------------------------ #$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9004248.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_9004248 loop_ _publ_author_name 'Ercit T S' _publ_section_title ; The crystal structure of nalipoite ; _journal_name_full 'The Canadian Mineralogist' _journal_page_first 569 _journal_page_last 573 _journal_volume 29 _journal_year 1991 _chemical_formula_sum 'Li2 Na O4 P' _[local]_cod_chemical_formula_sum_orig 'Na Li2 P O4' _chemical_name_mineral Nalipoite _symmetry_space_group_name_H-M 'P m n b' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 6.884 _cell_length_b 9.976 _cell_length_c 4.927 _cell_volume 338.361 loop_ _symmetry_equiv_pos_as_xyz x,y,z 1/2-x,y,z 1/2+x,-y,-z 1/2+x,1/2-y,1/2+z 1/2-x,1/2+y,1/2-z x,1/2+y,1/2-z -x,1/2-y,1/2+z -x,-y,-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Na 0.25000 0.88570 0.76360 Li 0.50020 0.65410 0.79150 P 0.25000 0.09802 0.20247 O1 0.25000 0.11980 0.89110 O2 0.06680 0.16230 0.32430 O3 0.25000 0.94540 0.25780 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Na 0.01030 0.02490 0.02230 0.00000 0.00000 -0.00790 Li 0.01210 0.01630 0.01410 -0.00030 -0.00110 -0.00070 P 0.00610 0.00810 0.00720 0.00000 0.00000 0.00050 O1 0.01070 0.01510 0.00760 0.00000 0.00000 0.00050 O2 0.00760 0.01140 0.01100 0.00170 0.00120 0.00030 O3 0.01170 0.00790 0.01400 0.00000 0.00000 0.00090 _cod_database_code 9004248