The material structure described by CrPO5 crystallizes in the orthorhombic Pnma space group. Cr(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted CrO5 trigonal bipyramids that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Cr(1)O5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Cr(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. is represented by the CIF file [CIF]
data_CrPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.091
_cell_length_b   7.157
_cell_length_c   8.129
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   354.349
_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  0.750  0.292  0.814  1.0
  Cr  Cr1  1  0.250  0.792  0.686  1.0
  Cr  Cr2  1  0.750  0.208  0.314  1.0
  Cr  Cr3  1  0.250  0.708  0.186  1.0
  P  P4  1  0.750  0.604  0.122  1.0
  P  P5  1  0.250  0.104  0.378  1.0
  P  P6  1  0.750  0.896  0.622  1.0
  P  P7  1  0.250  0.396  0.878  1.0
  O  O8  1  0.450  0.261  0.865  1.0
  O  O9  1  0.050  0.261  0.865  1.0
  O  O10  1  0.550  0.739  0.134  1.0
  O  O11  1  0.950  0.739  0.134  1.0
  O  O12  1  0.450  0.239  0.366  1.0
  O  O13  1  0.550  0.761  0.635  1.0
  O  O14  1  0.950  0.761  0.635  1.0
  O  O15  1  0.050  0.239  0.366  1.0
  O  O16  1  0.250  0.877  0.864  1.0
  O  O17  1  0.750  0.123  0.136  1.0
  O  O18  1  0.250  0.623  0.364  1.0
  O  O19  1  0.750  0.377  0.636  1.0
  O  O20  1  0.250  0.966  0.232  1.0
  O  O21  1  0.750  0.466  0.268  1.0
  O  O22  1  0.750  0.034  0.768  1.0
  O  O23  1  0.250  0.534  0.732  1.0
  O  O24  1  0.250  0.003  0.545  1.0
  O  O25  1  0.250  0.497  0.045  1.0
  O  O26  1  0.750  0.997  0.455  1.0
  O  O27  1  0.750  0.503  0.955  1.0
[/CIF]
.
The material structure described by CrPO5 crystallizes in the orthorhombic Pnma space group. Cr(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted CrO5 trigonal bipyramids that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Cr(1)O5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Cr(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. is represented by the CIF file [CIF]
data_CrPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.091
_cell_length_b   7.157
_cell_length_c   8.129
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   354.349
_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  0.750  0.292  0.814  1.0
  Cr  Cr1  1  0.250  0.792  0.686  1.0
  Cr  Cr2  1  0.750  0.208  0.314  1.0
  Cr  Cr3  1  0.250  0.708  0.186  1.0
  P  P4  1  0.750  0.604  0.122  1.0
  P  P5  1  0.250  0.104  0.378  1.0
  P  P6  1  0.750  0.896  0.622  1.0
  P  P7  1  0.250  0.396  0.878  1.0
  O  O8  1  0.450  0.261  0.865  1.0
  O  O9  1  0.050  0.261  0.865  1.0
  O  O10  1  0.550  0.739  0.134  1.0
  O  O11  1  0.950  0.739  0.134  1.0
  O  O12  1  0.450  0.239  0.366  1.0
  O  O13  1  0.550  0.761  0.635  1.0
  O  O14  1  0.950  0.761  0.635  1.0
  O  O15  1  0.050  0.239  0.366  1.0
  O  O16  1  0.250  0.877  0.864  1.0
  O  O17  1  0.750  0.123  0.136  1.0
  O  O18  1  0.250  0.623  0.364  1.0
  O  O19  1  0.750  0.377  0.636  1.0
  O  O20  1  0.250  0.966  0.232  1.0
  O  O21  1  0.750  0.466  0.268  1.0
  O  O22  1  0.750  0.034  0.768  1.0
  O  O23  1  0.250  0.534  0.732  1.0
  O  O24  1  0.250  0.003  0.545  1.0
  O  O25  1  0.250  0.497  0.045  1.0
  O  O26  1  0.750  0.997  0.455  1.0
  O  O27  1  0.750  0.503  0.955  1.0
[/CIF]
.