data_global _amcsd_formula_title 'Cu2V2O7' loop_ _publ_author_name 'Krivovichev S V' 'Filatov S K' 'Cherepansky P N' 'Armbruster T' 'Pankratova O Y' _journal_name_full 'The Canadian Mineralogist' _journal_volume 43 _journal_year 2005 _journal_page_first 671 _journal_page_last 677 _publ_section_title ; The crystal structure of gamma-Cu2V2O7 and its comparison to blossite (alpha-Cu2V2O7) and ziesite (beta-Cu2V2O7) ; _database_code_amcsd 0006001 _chemical_formula_sum 'Cu2 V2 O7' _cell_length_a 5.0873 _cell_length_b 5.8233 _cell_length_c 9.4020 _cell_angle_alpha 99.780 _cell_angle_beta 97.253 _cell_angle_gamma 97.202 _cell_volume 269.201 _exptl_crystal_density_diffrn 4.206 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Cu1 0.26344 0.15492 0.51698 0.01280 Cu2 0.28090 0.14584 0.00655 0.01260 V1 0.16373 -0.32508 0.21877 0.00950 V2 0.28516 -0.26957 0.69728 0.00910 O1 0.08850 -0.10780 0.60230 0.01180 O2 0.41450 -0.17740 0.34980 0.01410 O3 0.04860 -0.12930 0.11950 0.01330 O4 0.38460 -0.12480 0.87740 0.01230 O5 0.10510 -0.55500 0.68910 0.01450 O6 0.54980 -0.31360 0.61760 0.01230 O7 0.26370 -0.54290 0.10960 0.01950 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 0.00940 0.01640 0.01280 -0.00025 -0.00050 0.00625 Cu2 0.01210 0.01230 0.01220 0.00474 -0.00140 -0.00089 V1 0.00950 0.00950 0.00920 0.00150 0.00060 0.00130 V2 0.00940 0.00900 0.00850 0.00100 0.00060 0.00140 O1 0.01000 0.01200 0.01400 0.00180 0.00030 0.00540 O2 0.01200 0.01400 0.01500 0.00080 -0.00280 0.00280 O3 0.01200 0.01400 0.01400 0.00290 -0.00070 0.00440 O4 0.01200 0.01300 0.01100 0.00480 -0.00160 -0.00080 O5 0.01500 0.01300 0.01500 0.00020 0.00350 0.00330 O6 0.01200 0.01200 0.01400 0.00210 0.00210 0.00430 O7 0.02200 0.01800 0.01800 0.00930 0.00080 -0.00190