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 = 0.0 ; _database_code_amcsd 0014626 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Mn Te2 O5' _cell_length_a 8.761 _cell_length_b 8.761 _cell_length_c 12.990 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 997.049 _exptl_crystal_density_diffrn 5.198 _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 Mn 0.25000 0.25000 0.00000 MnMe 0.25000 0.25000 0.25000 Te 0.03844 0.56294 0.38240 O1 0.16980 0.10050 0.36550 O2 0.02430 0.37490 0.45110 O3 0.55360 0.55360 0.25000 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 0.01340 0.01320 0.01270 0.00000 0.00000 0.00000 MnMe 0.02110 0.02110 0.01070 -0.01130 0.00000 0.00000 Te 0.01150 0.01110 0.01280 0.00050 -0.00070 0.00170 O1 0.01560 0.01510 0.01480 -0.00200 0.00140 0.00100 O2 0.02090 0.01250 0.01310 0.00350 0.00050 0.00320 O3 0.02310 0.02310 0.01420 -0.00730 -0.00350 0.00350