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# generated using pymatgen data_Co(HO)2 _symmetry_space_group_name_H-M P-3m1 _cell_length_a 3.20252458 _cell_length_b 3.20252458 _cell_length_c 4.77850717 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 164 _chemical_formula_structural Co(HO)2 _chemical_formula_sum 'Co1 H2 O2' _cell_volume 42.44317046 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' 2 '-x, -y, -z' 3 '-y, x-y, z' 4 'y, -x+y, -z' 5 '-x+y, -x, z' 6 'x-y, x, -z' 7 'y, x, -z' 8 '-y, -x, z' 9 'x-y, -y, -z' 10 '-x+y, y, z' 11 '-x, -x+y, -z' 12 'x, x-y, z' loop_ _atom_type_symbol _atom_type_oxidation_number Co2+ 2.0 H+ 1.0 O2- -2.0 loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co2+ Co0 1 0.00000000 0.00000000 0.00000000 1 H+ H1 2 0.33333333 0.66666667 0.57671200 1 O2- O2 2 0.33333333 0.66666667 0.78044500 1 |
2Â¥2025-11-11 03:34:46









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