The compound described by Cr2PO5 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(3), one O(4), one O(5), and two equivalent O(2) atoms to form CrO5 square pyramids that share  a cornercorner with one Cr(2)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra, edges with three equivalent Cr(2)O6 octahedra, and  an edgeedge with one Cr(1)O5 square pyramid. The corner-sharing octahedral tilt angles are 21°. In the second Cr site, Cr(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form CrO6 octahedra that share  a cornercorner with one Cr(1)O5 square pyramid, corners with four equivalent P(1)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with three equivalent Cr(1)O5 square pyramids. P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent Cr(2)O6 octahedra and corners with three equivalent Cr(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 48-57°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cr(2) and one P(1) atom. In the second O site, O(2) is bonded to two equivalent Cr(1) and two equivalent Cr(2) atoms to form edge-sharing OCr4 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), and one P(1) atom. is represented by the CIF card [CIF]
data_Cr2PO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.078
_cell_length_b   6.402
_cell_length_c   6.438
_cell_angle_alpha   108.751
_cell_angle_beta   105.613
_cell_angle_gamma   99.458
_symmetry_Int_Tables_number   1
_cell_volume   183.501
_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  0.374  0.239  0.945  1.0
  Cr  Cr1  1  0.626  0.761  0.055  1.0
  Cr  Cr2  1  0.164  0.628  0.253  1.0
  Cr  Cr3  1  0.836  0.372  0.747  1.0
  P  P4  1  0.166  0.185  0.388  1.0
  P  P5  1  0.834  0.815  0.612  1.0
  O  O6  1  0.087  0.743  0.557  1.0
  O  O7  1  0.913  0.257  0.443  1.0
  O  O8  1  0.226  0.554  0.952  1.0
  O  O9  1  0.774  0.446  0.048  1.0
  O  O10  1  0.064  0.926  0.216  1.0
  O  O11  1  0.936  0.074  0.784  1.0
  O  O12  1  0.409  0.208  0.611  1.0
  O  O13  1  0.591  0.792  0.389  1.0
  O  O14  1  0.286  0.332  0.265  1.0
  O  O15  1  0.714  0.668  0.735  1.0
[/CIF]
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The compound described by Cr2PO5 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(3), one O(4), one O(5), and two equivalent O(2) atoms to form CrO5 square pyramids that share  a cornercorner with one Cr(2)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra, edges with three equivalent Cr(2)O6 octahedra, and  an edgeedge with one Cr(1)O5 square pyramid. The corner-sharing octahedral tilt angles are 21°. In the second Cr site, Cr(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form CrO6 octahedra that share  a cornercorner with one Cr(1)O5 square pyramid, corners with four equivalent P(1)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with three equivalent Cr(1)O5 square pyramids. P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent Cr(2)O6 octahedra and corners with three equivalent Cr(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 48-57°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cr(2) and one P(1) atom. In the second O site, O(2) is bonded to two equivalent Cr(1) and two equivalent Cr(2) atoms to form edge-sharing OCr4 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), and one P(1) atom. is represented by the CIF card [CIF]
data_Cr2PO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.078
_cell_length_b   6.402
_cell_length_c   6.438
_cell_angle_alpha   108.751
_cell_angle_beta   105.613
_cell_angle_gamma   99.458
_symmetry_Int_Tables_number   1
_cell_volume   183.501
_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  0.374  0.239  0.945  1.0
  Cr  Cr1  1  0.626  0.761  0.055  1.0
  Cr  Cr2  1  0.164  0.628  0.253  1.0
  Cr  Cr3  1  0.836  0.372  0.747  1.0
  P  P4  1  0.166  0.185  0.388  1.0
  P  P5  1  0.834  0.815  0.612  1.0
  O  O6  1  0.087  0.743  0.557  1.0
  O  O7  1  0.913  0.257  0.443  1.0
  O  O8  1  0.226  0.554  0.952  1.0
  O  O9  1  0.774  0.446  0.048  1.0
  O  O10  1  0.064  0.926  0.216  1.0
  O  O11  1  0.936  0.074  0.784  1.0
  O  O12  1  0.409  0.208  0.611  1.0
  O  O13  1  0.591  0.792  0.389  1.0
  O  O14  1  0.286  0.332  0.265  1.0
  O  O15  1  0.714  0.668  0.735  1.0
[/CIF]
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