data_global _amcsd_formula_title 'Li2.5K0.16Na0.34Cr2(PO4)3' loop_ _publ_author_name 'Kouass S' 'Boughzala H' _journal_name_full 'Acta Crystallographica, Section E' _journal_volume 61 _journal_year 2005 _journal_page_first i231 _journal_page_last i233 _publ_section_title ; NASICON-type Li2.5K0.16Na0.34Cr2(PO4)3 ; _database_code_amcsd 0010459 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Li4.998 (K.31 Na.69) Cr4 P6 O24' _cell_length_a 8.300 _cell_length_b 8.300 _cell_length_c 22.469 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1340.511 _exptl_crystal_density_diffrn 3.123 _symmetry_space_group_name_H-M 'R -3' 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' '-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 _atom_site_U_iso_or_equiv Li1 0.30530 0.35340 0.11600 0.50400 0.00600 Li2 0.23600 0.56500 0.16780 0.32900 0.01200 K 0.00000 0.00000 0.00000 0.31000 0.04060 Na 0.00000 0.00000 0.00000 0.69000 0.04060 Cr1 0.66667 0.33333 -0.02212 1.00000 0.00700 Cr2 0.66667 0.33333 0.18177 1.00000 0.00730 P 0.66663 0.62046 0.08315 1.00000 0.00640 O1 0.67590 0.53350 0.02513 1.00000 0.01710 O2 0.53680 0.70280 0.07835 1.00000 0.01140 O3 0.86490 0.77700 0.09910 1.00000 0.01110 O4 0.58110 0.47650 0.13478 1.00000 0.01450 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 K 0.05720 0.05720 0.00750 0.02860 0.00000 0.00000 Na 0.05720 0.05720 0.00750 0.02860 0.00000 0.00000 Cr1 0.00710 0.00710 0.00690 0.00354 0.00000 0.00000 Cr2 0.00660 0.00660 0.00860 0.00328 0.00000 0.00000 P 0.00610 0.00530 0.00760 0.00270 -0.00170 -0.00110 O1 0.02260 0.01720 0.01530 0.01280 -0.00480 -0.00810 O2 0.01180 0.01350 0.01270 0.00930 -0.00410 -0.00300 O3 0.00650 0.00750 0.01670 0.00160 -0.00150 -0.00320 O4 0.01030 0.01460 0.01900 0.00650 0.00170 0.00780