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[ÇóÖú] ¦Á-Co(OH)2 ÒÑÓÐ1È˲ÎÓë

ÇëÎÊ£¬´ó¼ÒÓЦÁ-Co(OH)2µÄCIFÎļþÂ𣿠    PDF¿¨Æ¬±àºÅÈçÏ£º JCPDS card No. 46-0605£¬  hexagonal ¦Á-Co(OH)2¡£·¢¸øÎÒµÄÓÊÏä°Éлл´ó¼ÒÁË 1622773650@qq.com
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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
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