data_global _chemical_name_mineral 'Tenorite' loop_ _publ_author_name 'Asbrink S' 'Waskowska A' _journal_name_full 'Journal of Physics: Condensed Matter' _journal_volume 3 _journal_year 1991 _journal_page_first 8173 _journal_page_last 8180 _publ_section_title ; CuO: x-ray single-crystal structure determination at 196 K and room temperature Note: T = 196 K ; _database_code_amcsd 0018823 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Cu O' _cell_length_a 4.6893 _cell_length_b 3.4268 _cell_length_c 5.1321 _cell_angle_alpha 90 _cell_angle_beta 99.653 _cell_angle_gamma 90 _cell_volume 81.302 _exptl_crystal_density_diffrn 6.499 _symmetry_space_group_name_H-M 'C 1 c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Cu 0.25000 0.24680 0.00000 O -0.01150 0.41710 0.25370 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 Cu 0.00550 0.00750 0.00410 0.00150 0.00180 0.00050 O 0.00550 0.01130 0.00430 -0.00050 0.00210 -0.00050