data_global _chemical_name_mineral 'Crednerite' loop_ _publ_author_name 'Topfer J' 'Trari M' 'Gravereau P' 'Chaminade J P' 'Doumerc J P' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 210 _journal_year 1995 _journal_page_first 184 _journal_page_last 187 _publ_section_title ; Crystal growth and reinvestigation of the crystal structure of crednerite, CuMnO2 ; _database_code_amcsd 0011064 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Cu1.04 Mn.96 O2' _cell_length_a 5.578 _cell_length_b 2.881 _cell_length_c 5.886 _cell_angle_alpha 90 _cell_angle_beta 104.00 _cell_angle_gamma 90 _cell_volume 91.780 _exptl_crystal_density_diffrn 5.458 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Cu 0.00000 0.50000 0.50000 1.00000 0.01090 Mn 0.00000 0.00000 0.00000 0.96000 0.00510 Cu 0.00000 0.00000 0.00000 0.04000 0.00510 O 0.40700 0.00000 0.17890 1.00000 0.00640 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 0.01680 0.01020 0.00490 0.00000 0.00060 0.00000 Mn 0.00630 0.00380 0.00590 0.00000 0.00290 0.00000 Cu 0.00630 0.00380 0.00590 0.00000 0.00290 0.00000 O 0.00890 0.04300 0.00620 0.00000 0.06220 0.00000