The material described by CrPO5 crystallizes in the triclinic P-1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(7) atom to form distorted CrO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to one O(10), one O(5), one O(6), one O(8), and one O(9) atom to form distorted CrO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O5 trigonal bipyramids and corners with two equivalent Cr(2)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(1), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O5 trigonal bipyramids and corners with two equivalent Cr(2)O5 trigonal bipyramids. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(2) 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 single-bond geometry to one Cr(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Cr(2) and one P(2) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Cr(2) atom. is represented by the CIF card [CIF]
data_CrPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.047
_cell_length_b   7.377
_cell_length_c   7.294
_cell_angle_alpha   91.926
_cell_angle_beta   90.302
_cell_angle_gamma   69.091
_symmetry_Int_Tables_number   1
_cell_volume   353.993
_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  0.306  0.457  0.280  1.0
  Cr  Cr1  1  0.694  0.543  0.720  1.0
  Cr  Cr2  1  0.800  0.947  0.216  1.0
  Cr  Cr3  1  0.200  0.053  0.784  1.0
  P  P4  1  0.472  0.760  0.086  1.0
  P  P5  1  0.528  0.240  0.914  1.0
  P  P6  1  0.021  0.243  0.413  1.0
  P  P7  1  0.979  0.757  0.587  1.0
  O  O8  1  0.107  0.341  0.264  1.0
  O  O9  1  0.893  0.659  0.736  1.0
  O  O10  1  0.603  0.333  0.756  1.0
  O  O11  1  0.397  0.667  0.244  1.0
  O  O12  1  0.494  0.296  0.367  1.0
  O  O13  1  0.506  0.704  0.633  1.0
  O  O14  1  0.355  0.394  0.027  1.0
  O  O15  1  0.645  0.606  0.973  1.0
  O  O16  1  0.287  0.859  0.963  1.0
  O  O17  1  0.713  0.141  0.037  1.0
  O  O18  1  0.959  0.088  0.312  1.0
  O  O19  1  0.041  0.912  0.688  1.0
  O  O20  1  0.838  0.393  0.513  1.0
  O  O21  1  0.162  0.607  0.487  1.0
  O  O22  1  0.552  0.910  0.179  1.0
  O  O23  1  0.448  0.090  0.821  1.0
  O  O24  1  0.802  0.851  0.452  1.0
  O  O25  1  0.198  0.149  0.548  1.0
  O  O26  1  0.960  0.766  0.113  1.0
  O  O27  1  0.040  0.234  0.887  1.0
[/CIF]
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The material described by CrPO5 crystallizes in the triclinic P-1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(7) atom to form distorted CrO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to one O(10), one O(5), one O(6), one O(8), and one O(9) atom to form distorted CrO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O5 trigonal bipyramids and corners with two equivalent Cr(2)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(1), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O5 trigonal bipyramids and corners with two equivalent Cr(2)O5 trigonal bipyramids. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(2) 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 single-bond geometry to one Cr(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Cr(2) and one P(2) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Cr(2) atom. is represented by the CIF card [CIF]
data_CrPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.047
_cell_length_b   7.377
_cell_length_c   7.294
_cell_angle_alpha   91.926
_cell_angle_beta   90.302
_cell_angle_gamma   69.091
_symmetry_Int_Tables_number   1
_cell_volume   353.993
_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  0.306  0.457  0.280  1.0
  Cr  Cr1  1  0.694  0.543  0.720  1.0
  Cr  Cr2  1  0.800  0.947  0.216  1.0
  Cr  Cr3  1  0.200  0.053  0.784  1.0
  P  P4  1  0.472  0.760  0.086  1.0
  P  P5  1  0.528  0.240  0.914  1.0
  P  P6  1  0.021  0.243  0.413  1.0
  P  P7  1  0.979  0.757  0.587  1.0
  O  O8  1  0.107  0.341  0.264  1.0
  O  O9  1  0.893  0.659  0.736  1.0
  O  O10  1  0.603  0.333  0.756  1.0
  O  O11  1  0.397  0.667  0.244  1.0
  O  O12  1  0.494  0.296  0.367  1.0
  O  O13  1  0.506  0.704  0.633  1.0
  O  O14  1  0.355  0.394  0.027  1.0
  O  O15  1  0.645  0.606  0.973  1.0
  O  O16  1  0.287  0.859  0.963  1.0
  O  O17  1  0.713  0.141  0.037  1.0
  O  O18  1  0.959  0.088  0.312  1.0
  O  O19  1  0.041  0.912  0.688  1.0
  O  O20  1  0.838  0.393  0.513  1.0
  O  O21  1  0.162  0.607  0.487  1.0
  O  O22  1  0.552  0.910  0.179  1.0
  O  O23  1  0.448  0.090  0.821  1.0
  O  O24  1  0.802  0.851  0.452  1.0
  O  O25  1  0.198  0.149  0.548  1.0
  O  O26  1  0.960  0.766  0.113  1.0
  O  O27  1  0.040  0.234  0.887  1.0
[/CIF]
.