data_global _amcsd_formula_title 'Cu0.36 Nb2 O6 Zn0.64' 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 1006089 ; _database_code_amcsd 0013853 _chemical_formula_sum '(Cu.36 Zn.64) Nb2 O6' _cell_length_a 14.187 _cell_length_b 5.730 _cell_length_c 5.031 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 408.978 _exptl_crystal_density_diffrn 5.628 _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 _atom_site_occupancy Cu1 0.00000 0.32720 0.25000 0.36000 Zn1 0.00000 0.32720 0.25000 0.64000 Nb1 0.33960 0.31800 0.24440 1.00000 O1 0.09620 0.10470 0.06730 1.00000 O2 0.24430 0.12220 0.41440 1.00000 O3 0.41980 0.11880 0.08660 1.00000 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 0.00650 0.00830 0.00750 0.00000 -0.00020 0.00000 Zn1 0.00650 0.00830 0.00750 0.00000 -0.00020 0.00000 Nb1 0.00480 0.00420 0.00530 0.00010 0.00030 0.00010 O1 0.00680 0.00610 0.00640 0.00150 0.00120 0.00020 O2 0.00710 0.00600 0.00600 -0.00090 0.00100 0.00090 O3 0.00860 0.00640 0.00910 0.00200 0.00160 -0.00150