data_global _chemical_name_mineral 'Heterogenite' loop_ _publ_author_name 'Delaplane R G' 'Ibers J A' 'Ferraro J R' 'Rush J J' _journal_name_full 'Journal of Chemical Physics' _journal_volume 50 _journal_year 1969 _journal_page_first 1920 _journal_page_last 1927 _publ_section_title ; Diffraction and spectroscopic studies of the cobaltic acid system HCoO2 - DCoO2 Note: Neutron study Note: polytype known as Heterogenite-3R ; _database_code_amcsd 0012992 _chemical_formula_sum 'Co O2 D' _cell_length_a 2.854 _cell_length_b 2.854 _cell_length_c 13.354 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 94.200 _exptl_crystal_density_diffrn 4.915 _symmetry_space_group_name_H-M 'R -3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'x,x-y,z' '2/3+x,1/3+x-y,1/3+z' '1/3+x,2/3+x-y,2/3+z' 'y,x,-z' '2/3+y,1/3+x,1/3-z' '1/3+y,2/3+x,2/3-z' '-x+y,y,z' '2/3-x+y,1/3+y,1/3+z' '1/3-x+y,2/3+y,2/3+z' '-x,-x+y,-z' '2/3-x,1/3-x+y,1/3-z' '1/3-x,2/3-x+y,2/3-z' '-y,-x,z' '2/3-y,1/3-x,1/3+z' '1/3-y,2/3-x,2/3+z' 'x-y,-y,-z' '2/3+x-y,1/3-y,1/3-z' '1/3+x-y,2/3-y,2/3-z' 'y,-x+y,-z' '2/3+y,1/3-x+y,1/3-z' '1/3+y,2/3-x+y,2/3-z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' '-x,-y,-z' '2/3-x,1/3-y,1/3-z' '1/3-x,2/3-y,2/3-z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' 'x-y,x,-z' '2/3+x-y,1/3+x,1/3-z' '1/3+x-y,2/3+x,2/3-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Co 0.00000 0.00000 0.00000 0.01824 O 0.00000 0.00000 0.40510 -0.00418 D 0.00000 0.00000 0.50000 0.01558