data_global _amcsd_formula_title 'O11 Pb V6' loop_ _publ_author_name 'Mentre O' 'Abraham F' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 125 _journal_year 1996 _journal_page_first 91 _journal_page_last 101 _publ_section_title ; New mixed valence compounds in the Pb - V - O system synthesis and crystal structure of hollandite-related Pb1.32 V8.35 O16.7 and R-type hexagonal ferrite Pb V6 O11 _cod_database_code 1004115 ; _database_code_amcsd 0013900 _chemical_formula_sum 'Pb V6 O11' _cell_length_a 5.754 _cell_length_b 5.754 _cell_length_c 13.267 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 380.402 _exptl_crystal_density_diffrn 6.014 _symmetry_space_group_name_H-M 'P 63 m c' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,1/2+z' 'x-y,x,1/2+z' '-y,-x,z' '-y,x-y,z' 'x-y,-y,1/2+z' '-x,-y,1/2+z' 'x,x-y,z' '-x+y,-x,z' 'y,x,1/2+z' 'y,-x+y,1/2+z' '-x+y,y,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Pb1 0.33333 0.66667 0.22310 V1 0.51120 0.48880 -0.00210 V2 0.00000 0.00000 0.14470 V3 0.00000 0.00000 0.35010 V4 0.66667 0.33333 0.26330 O1 0.17640 0.82360 0.07760 O2 0.15160 0.84840 0.75000 O3 0.17130 0.82870 0.41690 O4 0.66667 0.33333 0.41090 O5 0.66667 0.33333 0.09360 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 Pb1 0.00800 0.00800 0.00106 0.00400 0.00000 0.00000 V1 0.00210 0.00210 0.00049 0.00040 0.00010 -0.00010 V2 0.00270 0.00270 0.00050 0.00135 0.00000 0.00000 V3 0.00230 0.00230 0.00040 0.00115 0.00000 0.00000 V4 0.00260 0.00260 0.00100 0.00130 0.00000 0.00000