The crystal structure described by Cr2B(PO4)3 crystallizes in the hexagonal P6_3/m space group. Cr(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and  a faceface with one Cr(1)O6 octahedra. B(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. P(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-49°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one B(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Cr(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr2B(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.086
_cell_length_b   8.086
_cell_length_c   7.528
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   426.251
_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
  Cr  Cr0  1  0.667  0.333  0.562  1.0
  Cr  Cr1  1  0.333  0.667  0.438  1.0
  Cr  Cr2  1  0.333  0.667  0.062  1.0
  Cr  Cr3  1  0.667  0.333  0.938  1.0
  B  B4  1  0.000  0.000  0.750  1.0
  B  B5  1  0.000  0.000  0.250  1.0
  P  P6  1  0.685  0.050  0.250  1.0
  P  P7  1  0.050  0.364  0.750  1.0
  P  P8  1  0.315  0.950  0.750  1.0
  P  P9  1  0.636  0.685  0.750  1.0
  P  P10  1  0.950  0.636  0.250  1.0
  P  P11  1  0.364  0.315  0.250  1.0
  O  O12  1  0.863  0.811  0.750  1.0
  O  O13  1  0.948  0.137  0.750  1.0
  O  O14  1  0.272  0.836  0.925  1.0
  O  O15  1  0.164  0.436  0.925  1.0
  O  O16  1  0.811  0.948  0.250  1.0
  O  O17  1  0.436  0.272  0.425  1.0
  O  O18  1  0.164  0.436  0.575  1.0
  O  O19  1  0.396  0.522  0.250  1.0
  O  O20  1  0.436  0.272  0.075  1.0
  O  O21  1  0.564  0.728  0.575  1.0
  O  O22  1  0.478  0.874  0.250  1.0
  O  O23  1  0.874  0.396  0.750  1.0
  O  O24  1  0.522  0.126  0.750  1.0
  O  O25  1  0.272  0.836  0.575  1.0
  O  O26  1  0.836  0.564  0.425  1.0
  O  O27  1  0.836  0.564  0.075  1.0
  O  O28  1  0.052  0.863  0.250  1.0
  O  O29  1  0.189  0.052  0.750  1.0
  O  O30  1  0.564  0.728  0.925  1.0
  O  O31  1  0.728  0.164  0.425  1.0
  O  O32  1  0.604  0.478  0.750  1.0
  O  O33  1  0.126  0.604  0.250  1.0
  O  O34  1  0.137  0.189  0.250  1.0
  O  O35  1  0.728  0.164  0.075  1.0
[/CIF]
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The crystal structure described by Cr2B(PO4)3 crystallizes in the hexagonal P6_3/m space group. Cr(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and  a faceface with one Cr(1)O6 octahedra. B(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. P(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-49°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one B(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Cr(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr2B(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.086
_cell_length_b   8.086
_cell_length_c   7.528
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   426.251
_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
  Cr  Cr0  1  0.667  0.333  0.562  1.0
  Cr  Cr1  1  0.333  0.667  0.438  1.0
  Cr  Cr2  1  0.333  0.667  0.062  1.0
  Cr  Cr3  1  0.667  0.333  0.938  1.0
  B  B4  1  0.000  0.000  0.750  1.0
  B  B5  1  0.000  0.000  0.250  1.0
  P  P6  1  0.685  0.050  0.250  1.0
  P  P7  1  0.050  0.364  0.750  1.0
  P  P8  1  0.315  0.950  0.750  1.0
  P  P9  1  0.636  0.685  0.750  1.0
  P  P10  1  0.950  0.636  0.250  1.0
  P  P11  1  0.364  0.315  0.250  1.0
  O  O12  1  0.863  0.811  0.750  1.0
  O  O13  1  0.948  0.137  0.750  1.0
  O  O14  1  0.272  0.836  0.925  1.0
  O  O15  1  0.164  0.436  0.925  1.0
  O  O16  1  0.811  0.948  0.250  1.0
  O  O17  1  0.436  0.272  0.425  1.0
  O  O18  1  0.164  0.436  0.575  1.0
  O  O19  1  0.396  0.522  0.250  1.0
  O  O20  1  0.436  0.272  0.075  1.0
  O  O21  1  0.564  0.728  0.575  1.0
  O  O22  1  0.478  0.874  0.250  1.0
  O  O23  1  0.874  0.396  0.750  1.0
  O  O24  1  0.522  0.126  0.750  1.0
  O  O25  1  0.272  0.836  0.575  1.0
  O  O26  1  0.836  0.564  0.425  1.0
  O  O27  1  0.836  0.564  0.075  1.0
  O  O28  1  0.052  0.863  0.250  1.0
  O  O29  1  0.189  0.052  0.750  1.0
  O  O30  1  0.564  0.728  0.925  1.0
  O  O31  1  0.728  0.164  0.425  1.0
  O  O32  1  0.604  0.478  0.750  1.0
  O  O33  1  0.126  0.604  0.250  1.0
  O  O34  1  0.137  0.189  0.250  1.0
  O  O35  1  0.728  0.164  0.075  1.0
[/CIF]
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