data_global _chemical_name_mineral 'Denningite' loop_ _publ_author_name 'Miletich R' _journal_name_full 'Mineralogy and Petrology' _journal_volume 48 _journal_year 1993 _journal_page_first 129 _journal_page_last 145 _publ_section_title ; Copper-substituted manganese-denningites, Mn(Mn1-xCux)(Te2O5)2(0<=x<=1): synthesis and crystal chemistry Sample: x = 0.33 ; _database_code_amcsd 0014627 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Mn1.67 Cu.33 Te4 O10' _cell_length_a 8.747 _cell_length_b 8.747 _cell_length_c 12.902 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 987.132 _exptl_crystal_density_diffrn 5.269 _symmetry_space_group_name_H-M 'P 42/n b c' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,-x,1/2+z' 'y,x,1/2-z' '1/2+y,-x,1/2-z' '1/2-y,x,1/2+z' '1/2+x,-y,z' '1/2-x,y,-z' '1/2+x,1/2+y,-z' '1/2-x,1/2-y,z' '1/2+y,1/2+x,1/2+z' '1/2-y,1/2-x,1/2-z' '-y,1/2+x,1/2-z' 'y,1/2-x,1/2+z' '-x,1/2+y,z' 'x,1/2-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn 0.25000 0.25000 0.00000 1.00000 MnMe 0.25000 0.25000 0.25000 0.67000 CuMe 0.25000 0.25000 0.25000 0.33000 Te 0.03833 0.56501 0.38225 1.00000 O1 0.16970 0.10570 0.36540 1.00000 O2 0.02430 0.37590 0.45110 1.00000 O3 0.55250 0.55250 0.25000 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 Mn 0.01950 0.02180 0.01680 0.00000 0.00000 0.00000 MnMe 0.02510 0.02510 0.01510 -0.00750 0.00000 0.00000 CuMe 0.02510 0.02510 0.01510 -0.00750 0.00000 0.00000 Te 0.01820 0.01830 0.01700 0.00060 0.00000 0.00090 O1 0.02240 0.02300 0.02050 -0.00190 0.00390 0.00000 O2 0.02620 0.02190 0.01550 0.00200 0.00330 0.00080 O3 0.03390 0.03390 0.01770 -0.00860 -0.00420 0.00420