The structure described by Co2BO4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 53-61°. In the second Co site, Co(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 53-61°. B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Co(2) and three equivalent Co(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Co(1), two equivalent Co(2), and one B(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Co(2) and one B(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Co(2), two equivalent Co(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co2BO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.166
_cell_length_b   9.222
_cell_length_c   9.366
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   273.481
_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  0.250  0.619  0.571  1.0
  Co  Co1  1  0.750  0.381  0.429  1.0
  Co  Co2  1  0.750  0.881  0.071  1.0
  Co  Co3  1  0.250  0.119  0.929  1.0
  Co  Co4  1  0.250  0.603  0.200  1.0
  Co  Co5  1  0.750  0.397  0.800  1.0
  Co  Co6  1  0.750  0.897  0.700  1.0
  Co  Co7  1  0.250  0.103  0.300  1.0
  B  B8  1  0.250  0.663  0.882  1.0
  B  B9  1  0.750  0.337  0.118  1.0
  B  B10  1  0.750  0.837  0.382  1.0
  B  B11  1  0.250  0.163  0.618  1.0
  O  O12  1  0.250  0.017  0.124  1.0
  O  O13  1  0.750  0.983  0.876  1.0
  O  O14  1  0.750  0.483  0.624  1.0
  O  O15  1  0.250  0.517  0.376  1.0
  O  O16  1  0.250  0.746  0.757  1.0
  O  O17  1  0.750  0.254  0.243  1.0
  O  O18  1  0.750  0.754  0.257  1.0
  O  O19  1  0.250  0.246  0.743  1.0
  O  O20  1  0.250  0.514  0.870  1.0
  O  O21  1  0.750  0.486  0.130  1.0
  O  O22  1  0.750  0.986  0.370  1.0
  O  O23  1  0.250  0.014  0.630  1.0
  O  O24  1  0.250  0.727  0.016  1.0
  O  O25  1  0.750  0.273  0.984  1.0
  O  O26  1  0.750  0.773  0.516  1.0
  O  O27  1  0.250  0.227  0.484  1.0
[/CIF]
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The structure described by Co2BO4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 53-61°. In the second Co site, Co(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 53-61°. B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Co(2) and three equivalent Co(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Co(1), two equivalent Co(2), and one B(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Co(2) and one B(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Co(2), two equivalent Co(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co2BO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.166
_cell_length_b   9.222
_cell_length_c   9.366
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   273.481
_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  0.250  0.619  0.571  1.0
  Co  Co1  1  0.750  0.381  0.429  1.0
  Co  Co2  1  0.750  0.881  0.071  1.0
  Co  Co3  1  0.250  0.119  0.929  1.0
  Co  Co4  1  0.250  0.603  0.200  1.0
  Co  Co5  1  0.750  0.397  0.800  1.0
  Co  Co6  1  0.750  0.897  0.700  1.0
  Co  Co7  1  0.250  0.103  0.300  1.0
  B  B8  1  0.250  0.663  0.882  1.0
  B  B9  1  0.750  0.337  0.118  1.0
  B  B10  1  0.750  0.837  0.382  1.0
  B  B11  1  0.250  0.163  0.618  1.0
  O  O12  1  0.250  0.017  0.124  1.0
  O  O13  1  0.750  0.983  0.876  1.0
  O  O14  1  0.750  0.483  0.624  1.0
  O  O15  1  0.250  0.517  0.376  1.0
  O  O16  1  0.250  0.746  0.757  1.0
  O  O17  1  0.750  0.254  0.243  1.0
  O  O18  1  0.750  0.754  0.257  1.0
  O  O19  1  0.250  0.246  0.743  1.0
  O  O20  1  0.250  0.514  0.870  1.0
  O  O21  1  0.750  0.486  0.130  1.0
  O  O22  1  0.750  0.986  0.370  1.0
  O  O23  1  0.250  0.014  0.630  1.0
  O  O24  1  0.250  0.727  0.016  1.0
  O  O25  1  0.750  0.273  0.984  1.0
  O  O26  1  0.750  0.773  0.516  1.0
  O  O27  1  0.250  0.227  0.484  1.0
[/CIF]
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