The crystal structure described by Co(B4O7) crystallizes in the orthorhombic Cmcm space group. Co(1) is bonded to one O(1) and four equivalent O(3) atoms to form distorted CoO5 trigonal bipyramids that share corners with four equivalent B(1)O4 tetrahedra and corners with six equivalent B(2)O4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form BO4 tetrahedra that share corners with two equivalent B(1)O4 tetrahedra, corners with four equivalent B(2)O4 tetrahedra, and corners with two equivalent Co(1)O5 trigonal bipyramids. In the second B site, B(2) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form BO4 tetrahedra that share  a cornercorner with one B(2)O4 tetrahedra, corners with four equivalent B(1)O4 tetrahedra, and corners with three equivalent Co(1)O5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(1) and two equivalent B(2) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one B(2) and two equivalent B(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Co(1), one B(1), and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CoB4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.216
_cell_length_b   6.371
_cell_length_c   6.371
_cell_angle_alpha   118.341
_cell_angle_beta   89.999
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   186.300
_cell_formula_units_Z   2
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
  B  B0  1  0.500  0.703  0.297  1.0
  B  B1  1  1.000  0.703  0.297  1.0
  B  B2  1  0.500  0.297  0.703  1.0
  B  B3  1  0.000  0.297  0.703  1.0
  B  B4  1  0.250  0.309  0.075  1.0
  B  B5  1  0.750  0.925  0.691  1.0
  B  B6  1  0.750  0.691  0.925  1.0
  B  B7  1  0.250  0.075  0.309  1.0
  Co  Co8  1  0.750  0.242  0.242  1.0
  Co  Co9  1  0.250  0.758  0.758  1.0
  O  O10  1  0.750  0.921  0.921  1.0
  O  O11  1  0.250  0.079  0.079  1.0
  O  O12  1  0.750  0.755  0.195  1.0
  O  O13  1  0.250  0.805  0.245  1.0
  O  O14  1  0.250  0.245  0.805  1.0
  O  O15  1  0.750  0.195  0.755  1.0
  O  O16  1  0.477  0.446  0.189  1.0
  O  O17  1  0.523  0.811  0.554  1.0
  O  O18  1  0.023  0.446  0.189  1.0
  O  O19  1  0.977  0.811  0.554  1.0
  O  O20  1  0.523  0.554  0.811  1.0
  O  O21  1  0.477  0.189  0.446  1.0
  O  O22  1  0.977  0.554  0.811  1.0
  O  O23  1  0.023  0.189  0.446  1.0
[/CIF]
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The crystal structure described by Co(B4O7) crystallizes in the orthorhombic Cmcm space group. Co(1) is bonded to one O(1) and four equivalent O(3) atoms to form distorted CoO5 trigonal bipyramids that share corners with four equivalent B(1)O4 tetrahedra and corners with six equivalent B(2)O4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form BO4 tetrahedra that share corners with two equivalent B(1)O4 tetrahedra, corners with four equivalent B(2)O4 tetrahedra, and corners with two equivalent Co(1)O5 trigonal bipyramids. In the second B site, B(2) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form BO4 tetrahedra that share  a cornercorner with one B(2)O4 tetrahedra, corners with four equivalent B(1)O4 tetrahedra, and corners with three equivalent Co(1)O5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(1) and two equivalent B(2) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one B(2) and two equivalent B(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Co(1), one B(1), and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CoB4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.216
_cell_length_b   6.371
_cell_length_c   6.371
_cell_angle_alpha   118.341
_cell_angle_beta   89.999
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   186.300
_cell_formula_units_Z   2
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
  B  B0  1  0.500  0.703  0.297  1.0
  B  B1  1  1.000  0.703  0.297  1.0
  B  B2  1  0.500  0.297  0.703  1.0
  B  B3  1  0.000  0.297  0.703  1.0
  B  B4  1  0.250  0.309  0.075  1.0
  B  B5  1  0.750  0.925  0.691  1.0
  B  B6  1  0.750  0.691  0.925  1.0
  B  B7  1  0.250  0.075  0.309  1.0
  Co  Co8  1  0.750  0.242  0.242  1.0
  Co  Co9  1  0.250  0.758  0.758  1.0
  O  O10  1  0.750  0.921  0.921  1.0
  O  O11  1  0.250  0.079  0.079  1.0
  O  O12  1  0.750  0.755  0.195  1.0
  O  O13  1  0.250  0.805  0.245  1.0
  O  O14  1  0.250  0.245  0.805  1.0
  O  O15  1  0.750  0.195  0.755  1.0
  O  O16  1  0.477  0.446  0.189  1.0
  O  O17  1  0.523  0.811  0.554  1.0
  O  O18  1  0.023  0.446  0.189  1.0
  O  O19  1  0.977  0.811  0.554  1.0
  O  O20  1  0.523  0.554  0.811  1.0
  O  O21  1  0.477  0.189  0.446  1.0
  O  O22  1  0.977  0.554  0.811  1.0
  O  O23  1  0.023  0.189  0.446  1.0
[/CIF]
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