data_global _chemical_name_mineral 'Nasicon chromous high' loop_ _publ_author_name 'Lucazeau G' 'Barj M' 'Soubeyroux J' 'Dianoux A' 'Delmas C' _journal_name_full 'Solid State Ionics' _journal_volume 1819 _journal_year 1986 _journal_page_first 959 _journal_page_last 963 _publ_section_title ; Neutron scattering annd diffraction study of Na3 Cr2 P3 O12, Na Zr2 P3O12 and Na3 Zr Mg P3 O12 _cod_database_code 1008765 ; _database_code_amcsd 0016642 _chemical_formula_sum 'Cr2 P3 O12 Na2.956' _cell_length_a 8.6548 _cell_length_b 8.6548 _cell_length_c 21.82179 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1415.582 _exptl_crystal_density_diffrn 3.216 _symmetry_space_group_name_H-M 'R -3 c' 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' 'x,x-y,1/2+z' '2/3+x,1/3+x-y,5/6+z' '1/3+x,2/3+x-y,1/6+z' 'y,x,1/2-z' '2/3+y,1/3+x,5/6-z' '1/3+y,2/3+x,1/6-z' '-x+y,y,1/2+z' '2/3-x+y,1/3+y,5/6+z' '1/3-x+y,2/3+y,1/6+z' '-x,-x+y,1/2-z' '2/3-x,1/3-x+y,5/6-z' '1/3-x,2/3-x+y,1/6-z' '-y,-x,1/2+z' '2/3-y,1/3-x,5/6+z' '1/3-y,2/3-x,1/6+z' 'x-y,-y,1/2-z' '2/3+x-y,1/3-y,5/6-z' '1/3+x-y,2/3-y,1/6-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 Cr1 0.00000 0.00000 0.14740 1.00000 P1 0.28790 0.00000 0.25000 1.00000 O1 0.17250 -0.03550 0.19430 1.00000 O2 0.19190 0.16640 0.09020 1.00000 Na1 0.00000 0.00000 0.00000 0.73000 Na2 0.62750 0.00000 0.25000 0.73000 Na3 -0.02000 -0.16000 -0.04000 0.00600 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 Na1 40.41420 40.41420 21.71168 20.20710 0.00000 0.00000 Na2 5.97675 5.69214 192.99272 2.84607 0.41430 0.41430