data_global _amcsd_formula_title 'Cu Nb2 O6' loop_ _publ_author_name 'Norwig J' 'Weitzel H' 'Paulus H' 'Lautenschlaeger G' 'Rodriguez-Carvajal J' 'Fuess H' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 115 _journal_year 1995 _journal_page_first 476 _journal_page_last 483 _publ_section_title ; Structural relations in mixed oxides Cux Zn1-x Nb2 O6 _cod_database_code 1006088 ; _database_code_amcsd 0013852 _chemical_formula_sum 'Cu Nb2 O6' _cell_length_a 14.097 _cell_length_b 5.613 _cell_length_c 5.123 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 405.365 _exptl_crystal_density_diffrn 5.659 _symmetry_space_group_name_H-M 'P b c n' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '1/2+x,1/2+y,1/2-z' '1/2-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 0.00000 0.32970 0.25000 Nb1 0.15980 0.18250 0.78050 O1 0.09220 0.10240 0.10060 O2 0.41610 0.09550 0.14590 O3 0.75890 0.12820 0.04740 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 0.00720 0.00620 0.00850 0.00000 0.00210 0.00000 Nb1 0.00590 0.00610 0.00450 0.00000 -0.00030 0.00010 O1 0.00830 0.00740 0.00560 0.00120 0.00040 0.00070 O2 0.00990 0.00880 0.01010 0.00240 -0.00040 0.00000 O3 0.00780 0.00830 0.00620 0.00230 0.00070 0.00080