data_global _amcsd_formula_title 'O9 V5' loop_ _publ_author_name 'Le Page Y' 'Bordet P' 'Marezio M' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 92 _journal_year 1991 _journal_page_first 380 _journal_page_last 385 _publ_section_title ; Valence ordering in V5O9 below 120K _cod_database_code 1008536 ; _database_code_amcsd 0016429 _chemical_formula_sum 'V5 O9' _cell_length_a 7.002 _cell_length_b 8.3516 _cell_length_c 10.9052 _cell_angle_alpha 91.91 _cell_angle_beta 108.39 _cell_angle_gamma 110.50 _cell_volume 559.355 _exptl_crystal_density_diffrn 4.734 _symmetry_space_group_name_H-M 'B -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,y,1/2+z' '-x,-y,-z' '1/2-x,-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z V1 0.75000 0.00000 0.75000 V2 0.57992 0.79196 0.92499 V3 0.43492 0.57526 0.11119 V4 0.25000 0.00000 0.75000 V5 0.08668 0.79704 0.92329 V6 0.93541 0.57951 0.10855 O1 0.48640 0.92074 0.29249 O2 0.30270 0.67735 0.45282 O3 0.34400 0.86266 0.87832 O4 0.17590 0.63329 0.04135 O5 0.21190 0.97698 0.06285 O6 0.04850 0.75928 0.23640 O7 0.87210 0.54041 0.40543 O8 0.61970 0.80036 0.10888 O9 0.48200 0.58155 0.28150 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 V1 0.05600 0.05980 0.06040 0.03040 0.01870 0.00970 V2 0.04840 0.04910 0.05290 0.02180 0.02220 0.01330 V3 0.04610 0.04730 0.04620 0.02260 0.01410 0.00490 V4 0.05170 0.05390 0.06050 0.02590 0.02790 0.02300 V5 0.05140 0.04840 0.06560 0.02490 0.02850 0.02560 V6 0.04170 0.04780 0.04310 0.01490 0.01830 0.00800 O1 0.07300 0.08500 0.08100 0.04100 0.03800 0.03100 O2 0.05600 0.06500 0.06900 0.02500 0.02200 0.02000 O3 0.06400 0.07700 0.08000 0.03800 0.03600 0.03100 O4 0.04900 0.06600 0.06000 0.02900 0.02100 0.02000 O5 0.07600 0.06000 0.06100 0.02000 0.02700 0.00700 O6 0.08000 0.06800 0.06500 0.02900 0.02900 0.01200 O7 0.06300 0.05600 0.06700 0.02500 0.02800 0.01200 O8 0.07800 0.06700 0.05800 0.02300 0.02600 0.01300 O9 0.07600 0.07400 0.06400 0.02800 0.02300 0.01800