The material described by Cr3BO6 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with eight equivalent Cr(2)O6 octahedra, corners with two equivalent B(1)O4 tetrahedra, edges with two equivalent Cr(2)O6 octahedra, and  an edgeedge with one B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-59°. In the second Cr site, Cr(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, corners with two equivalent B(1)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and  an edgeedge with one B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-61°. B(1) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form BO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. 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 Cr(1), two equivalent Cr(2), and one B(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cr(1) and two equivalent Cr(2) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Cr(1), two equivalent Cr(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Cr(1), two equivalent Cr(2), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr3BO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.480
_cell_length_b   8.577
_cell_length_c   10.101
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   388.098
_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
  Cr  Cr0  1  0.474  0.750  0.907  1.0
  Cr  Cr1  1  0.974  0.250  0.593  1.0
  Cr  Cr2  1  0.526  0.250  0.093  1.0
  Cr  Cr3  1  0.026  0.750  0.407  1.0
  Cr  Cr4  1  0.503  0.431  0.370  1.0
  Cr  Cr5  1  0.003  0.569  0.130  1.0
  Cr  Cr6  1  0.497  0.931  0.630  1.0
  Cr  Cr7  1  0.997  0.069  0.870  1.0
  Cr  Cr8  1  0.497  0.569  0.630  1.0
  Cr  Cr9  1  0.997  0.431  0.870  1.0
  Cr  Cr10  1  0.503  0.069  0.370  1.0
  Cr  Cr11  1  0.003  0.931  0.130  1.0
  B  B12  1  0.081  0.250  0.277  1.0
  B  B13  1  0.919  0.750  0.723  1.0
  B  B14  1  0.419  0.250  0.777  1.0
  B  B15  1  0.581  0.750  0.223  1.0
  O  O16  1  0.783  0.750  0.585  1.0
  O  O17  1  0.283  0.250  0.915  1.0
  O  O18  1  0.217  0.250  0.415  1.0
  O  O19  1  0.717  0.750  0.085  1.0
  O  O20  1  0.765  0.421  0.031  1.0
  O  O21  1  0.265  0.579  0.469  1.0
  O  O22  1  0.235  0.921  0.969  1.0
  O  O23  1  0.735  0.079  0.531  1.0
  O  O24  1  0.256  0.750  0.225  1.0
  O  O25  1  0.244  0.750  0.725  1.0
  O  O26  1  0.756  0.250  0.275  1.0
  O  O27  1  0.744  0.250  0.775  1.0
  O  O28  1  0.728  0.889  0.290  1.0
  O  O29  1  0.228  0.111  0.210  1.0
  O  O30  1  0.272  0.389  0.710  1.0
  O  O31  1  0.772  0.611  0.790  1.0
  O  O32  1  0.272  0.111  0.710  1.0
  O  O33  1  0.772  0.889  0.790  1.0
  O  O34  1  0.728  0.611  0.290  1.0
  O  O35  1  0.228  0.389  0.210  1.0
  O  O36  1  0.265  0.921  0.469  1.0
  O  O37  1  0.765  0.079  0.031  1.0
  O  O38  1  0.735  0.421  0.531  1.0
  O  O39  1  0.235  0.579  0.969  1.0
[/CIF]
.
The material described by Cr3BO6 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with eight equivalent Cr(2)O6 octahedra, corners with two equivalent B(1)O4 tetrahedra, edges with two equivalent Cr(2)O6 octahedra, and  an edgeedge with one B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-59°. In the second Cr site, Cr(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, corners with two equivalent B(1)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and  an edgeedge with one B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-61°. B(1) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form BO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. 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 Cr(1), two equivalent Cr(2), and one B(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cr(1) and two equivalent Cr(2) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Cr(1), two equivalent Cr(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Cr(1), two equivalent Cr(2), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr3BO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.480
_cell_length_b   8.577
_cell_length_c   10.101
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   388.098
_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
  Cr  Cr0  1  0.474  0.750  0.907  1.0
  Cr  Cr1  1  0.974  0.250  0.593  1.0
  Cr  Cr2  1  0.526  0.250  0.093  1.0
  Cr  Cr3  1  0.026  0.750  0.407  1.0
  Cr  Cr4  1  0.503  0.431  0.370  1.0
  Cr  Cr5  1  0.003  0.569  0.130  1.0
  Cr  Cr6  1  0.497  0.931  0.630  1.0
  Cr  Cr7  1  0.997  0.069  0.870  1.0
  Cr  Cr8  1  0.497  0.569  0.630  1.0
  Cr  Cr9  1  0.997  0.431  0.870  1.0
  Cr  Cr10  1  0.503  0.069  0.370  1.0
  Cr  Cr11  1  0.003  0.931  0.130  1.0
  B  B12  1  0.081  0.250  0.277  1.0
  B  B13  1  0.919  0.750  0.723  1.0
  B  B14  1  0.419  0.250  0.777  1.0
  B  B15  1  0.581  0.750  0.223  1.0
  O  O16  1  0.783  0.750  0.585  1.0
  O  O17  1  0.283  0.250  0.915  1.0
  O  O18  1  0.217  0.250  0.415  1.0
  O  O19  1  0.717  0.750  0.085  1.0
  O  O20  1  0.765  0.421  0.031  1.0
  O  O21  1  0.265  0.579  0.469  1.0
  O  O22  1  0.235  0.921  0.969  1.0
  O  O23  1  0.735  0.079  0.531  1.0
  O  O24  1  0.256  0.750  0.225  1.0
  O  O25  1  0.244  0.750  0.725  1.0
  O  O26  1  0.756  0.250  0.275  1.0
  O  O27  1  0.744  0.250  0.775  1.0
  O  O28  1  0.728  0.889  0.290  1.0
  O  O29  1  0.228  0.111  0.210  1.0
  O  O30  1  0.272  0.389  0.710  1.0
  O  O31  1  0.772  0.611  0.790  1.0
  O  O32  1  0.272  0.111  0.710  1.0
  O  O33  1  0.772  0.889  0.790  1.0
  O  O34  1  0.728  0.611  0.290  1.0
  O  O35  1  0.228  0.389  0.210  1.0
  O  O36  1  0.265  0.921  0.469  1.0
  O  O37  1  0.765  0.079  0.031  1.0
  O  O38  1  0.735  0.421  0.531  1.0
  O  O39  1  0.235  0.579  0.969  1.0
[/CIF]
.