The material described by CoBO3 crystallizes in the monoclinic C2/c space group. Co(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted edge-sharing CoO5 trigonal bipyramids. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Co(1) and one B(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Co(1) and one B(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Co(1) and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CoBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.164
_cell_length_b   5.164
_cell_length_c   9.913
_cell_angle_alpha   89.962
_cell_angle_beta   89.962
_cell_angle_gamma   118.694
_symmetry_Int_Tables_number   1
_cell_volume   231.933
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
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
  Co  Co0  1  0.498  0.822  0.124  1.0
  Co  Co1  1  0.178  0.502  0.376  1.0
  Co  Co2  1  0.822  0.498  0.624  1.0
  Co  Co3  1  0.502  0.178  0.876  1.0
  B  B4  1  0.497  0.836  0.624  1.0
  B  B5  1  0.164  0.503  0.876  1.0
  B  B6  1  0.836  0.497  0.124  1.0
  B  B7  1  0.503  0.164  0.376  1.0
  O  O8  1  0.479  0.900  0.327  1.0
  O  O9  1  0.379  0.769  0.926  1.0
  O  O10  1  0.739  0.795  0.625  1.0
  O  O11  1  0.231  0.621  0.574  1.0
  O  O12  1  0.100  0.521  0.173  1.0
  O  O13  1  0.795  0.739  0.125  1.0
  O  O14  1  0.205  0.261  0.875  1.0
  O  O15  1  0.900  0.479  0.827  1.0
  O  O16  1  0.769  0.379  0.426  1.0
  O  O17  1  0.261  0.205  0.375  1.0
  O  O18  1  0.621  0.231  0.074  1.0
  O  O19  1  0.521  0.100  0.673  1.0
[/CIF]
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The material described by CoBO3 crystallizes in the monoclinic C2/c space group. Co(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted edge-sharing CoO5 trigonal bipyramids. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Co(1) and one B(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Co(1) and one B(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Co(1) and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CoBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.164
_cell_length_b   5.164
_cell_length_c   9.913
_cell_angle_alpha   89.962
_cell_angle_beta   89.962
_cell_angle_gamma   118.694
_symmetry_Int_Tables_number   1
_cell_volume   231.933
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
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
  Co  Co0  1  0.498  0.822  0.124  1.0
  Co  Co1  1  0.178  0.502  0.376  1.0
  Co  Co2  1  0.822  0.498  0.624  1.0
  Co  Co3  1  0.502  0.178  0.876  1.0
  B  B4  1  0.497  0.836  0.624  1.0
  B  B5  1  0.164  0.503  0.876  1.0
  B  B6  1  0.836  0.497  0.124  1.0
  B  B7  1  0.503  0.164  0.376  1.0
  O  O8  1  0.479  0.900  0.327  1.0
  O  O9  1  0.379  0.769  0.926  1.0
  O  O10  1  0.739  0.795  0.625  1.0
  O  O11  1  0.231  0.621  0.574  1.0
  O  O12  1  0.100  0.521  0.173  1.0
  O  O13  1  0.795  0.739  0.125  1.0
  O  O14  1  0.205  0.261  0.875  1.0
  O  O15  1  0.900  0.479  0.827  1.0
  O  O16  1  0.769  0.379  0.426  1.0
  O  O17  1  0.261  0.205  0.375  1.0
  O  O18  1  0.621  0.231  0.074  1.0
  O  O19  1  0.521  0.100  0.673  1.0
[/CIF]
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