data_global _amcsd_formula_title 'O40 P8 Rb0.5 W8' loop_ _publ_author_name 'Lamire M' 'Labbe P' 'Goreaud M' 'Raveau B' _journal_name_full 'Revue de Chimie Minerale' _journal_volume 24 _journal_year 1987 _journal_page_first 153 _journal_page_last 164 _publ_section_title ; Rbx P8 W8 O40: Un bronze-diphosphate de tungstene a tunnels octagonaux. Etude structurale comparee avec Cs P8 W8 O40 _cod_database_code 1001746 ; _database_code_amcsd 0015401 _chemical_formula_sum 'Rb.062 W P O5' _cell_length_a 13.007 _cell_length_b 12.325 _cell_length_c 5.2829 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 846.908 _exptl_crystal_density_diffrn 4.708 _symmetry_space_group_name_H-M 'C c m 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' '-x,y,1/2+z' '1/2-x,1/2+y,1/2+z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,-y,1/2+z' '1/2-x,1/2-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rb1 0.04600 0.46700 0.27500 0.06250 W1 0.40262 0.35031 0.25000 1.00000 P1 0.27070 0.11960 0.25500 1.00000 O1 0.00970 0.16850 0.49000 1.00000 O2 0.22240 0.13140 0.53200 1.00000 O3 0.19500 0.13450 0.05900 1.00000 O4 0.41820 0.50000 0.24000 1.00000 O5 0.36620 0.18900 0.23200 1.00000 O6 0.31700 0.00000 0.26200 1.00000 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 Rb1 0.01600 0.09000 0.03000 -0.02000 -0.00800 -0.00400 W1 0.00624 0.00492 0.00590 -0.00015 0.00004 -0.00030 P1 0.00750 0.00570 0.01630 -0.00030 -0.00400 0.00300 O1 0.01300 0.01000 0.00800 -0.00100 -0.00200 -0.00100 O2 0.00900 0.01400 0.01100 0.00200 0.00400 -0.00100 O3 0.01200 0.01700 0.01700 0.00100 -0.00500 0.00100 O4 0.00900 0.00500 0.00200 0.00000 -0.00200 0.00000 O5 0.01000 0.00590 0.00200 -0.00240 0.00100 0.00000 O6 0.01100 0.00500 0.01500 0.00000 -0.01200 0.00000