data_global _chemical_name_mineral 'Mcbirneyite' loop_ _publ_author_name 'Coing-Boyat J' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 38 _journal_year 1982 _journal_page_first 1546 _journal_page_last 1548 _publ_section_title ; Structure de la variete ordinaire, triclinique, de l'orthovanadate de cuivre(II), Cu3(VO4)2 ; _database_code_amcsd 0009762 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Cu3 V2 O8' _cell_length_a 5.196 _cell_length_b 5.355 _cell_length_c 6.505 _cell_angle_alpha 69.22 _cell_angle_beta 88.69 _cell_angle_gamma 68.08 _cell_volume 155.733 _exptl_crystal_density_diffrn 4.484 _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 0.00000 0.00000 0.00000 0.00629 Cu2 0.28590 0.21618 0.31047 0.01013 V 0.37120 0.35380 0.78267 0.00474 O1 0.86010 0.31300 0.34080 0.01064 O2 0.31000 0.62890 0.16520 0.00899 O3 0.23650 0.19290 0.02670 0.00747 O4 0.38600 0.16860 0.60700 0.01064 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 0.00451 0.00538 0.00848 -0.00441 -0.00155 -0.00324 Cu2 0.01103 0.01051 0.00614 0.00154 -0.00443 -0.01044 V 0.00452 0.00622 0.00426 -0.00553 0.00202 -0.00478 O1 0.00762 0.00977 0.01125 -0.00313 0.00275 -0.00408 O2 0.00725 0.00649 0.01195 -0.00576 -0.00197 -0.00359 O3 0.00858 0.01053 0.00553 -0.01128 0.00493 -0.00692 O4 0.01168 0.01098 0.00727 -0.00056 -0.00161 -0.01078