data_global _chemical_name_mineral 'Stoiberite' loop_ _publ_author_name 'Shannon R D' 'Calvo C' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 29 _journal_year 1973 _journal_page_first 1338 _journal_page_last 1345 _publ_section_title ; Crystal structure of Cu5V2O10 ; _database_code_amcsd 0009480 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Cu5 V2 O10' _cell_length_a 8.393 _cell_length_b 6.0652 _cell_length_c 16.156 _cell_angle_alpha 90 _cell_angle_beta 108.09 _cell_angle_gamma 90 _cell_volume 781.772 _exptl_crystal_density_diffrn 4.925 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Cu1 0.06052 -0.05305 0.10166 Cu2 0.26391 0.24380 0.48448 Cu3 0.16051 0.18317 0.28887 Cu4 0.04069 0.45348 0.09186 Cu5 0.37081 0.22379 0.17954 V1 0.43036 0.71053 0.09887 V2 0.21585 0.69313 0.32889 O1 0.40260 0.19610 0.30480 O2 0.49100 0.25460 0.48200 O3 0.29300 0.92130 0.09830 O4 0.32080 0.45820 0.08490 O5 0.40330 0.68530 0.31610 O6 0.17520 0.46100 0.38670 O7 0.18780 0.93710 0.37780 O8 0.07600 0.68540 0.22360 O9 0.13450 0.21310 0.16680 O10 0.03150 0.21160 0.47640 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 Cu1 0.00680 0.00850 0.00960 -0.00100 0.00260 -0.00360 Cu2 0.00660 0.01010 0.00720 0.00080 0.00190 0.00290 Cu3 0.00650 0.02230 0.00620 -0.00020 0.00150 0.00300 Cu4 0.01160 0.00850 0.00870 0.00330 0.00460 0.00280 Cu5 0.00480 0.02190 0.00790 0.00140 0.00190 0.00340 V1 0.00500 0.00600 0.00560 0.00000 0.00130 -0.00140 V2 0.00520 0.00650 0.00700 0.00010 0.00210 0.00100 O1 0.01040 0.01640 0.00540 -0.00150 0.00000 0.00020 O2 0.00670 0.01800 0.00860 -0.00050 0.00090 -0.00040 O3 0.00670 0.01730 0.02210 0.00200 0.00430 -0.00620 O4 0.01410 0.01350 0.00700 -0.00220 0.00180 -0.00130 O5 0.01110 0.02030 0.01560 -0.00080 0.00700 0.00030 O6 0.00860 0.00820 0.01000 0.00270 0.00400 0.00130 O7 0.01510 0.00940 0.01060 -0.00180 0.00550 0.00110 O8 0.00830 0.02410 0.00860 0.00180 0.00270 0.00200 O9 0.01010 0.00910 0.00700 -0.00140 0.00300 0.00200 O10 0.00860 0.01160 0.00740 0.00100 0.00320 0.00080