The crystal structure described by CrPO5 crystallizes in the monoclinic Cc space group. Cr(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five 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(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 distorted 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. In the fifth O site, O(5) is bonded in a single-bond geometry to one Cr(1) atom. is represented by the CIF card [CIF]
data_CrPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.128
_cell_length_b   5.128
_cell_length_c   7.406
_cell_angle_alpha   75.015
_cell_angle_beta   75.015
_cell_angle_gamma   96.068
_symmetry_Int_Tables_number   1
_cell_volume   178.587
_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  0.049  0.500  0.471  1.0
  Cr  Cr1  1  0.500  0.049  0.971  1.0
  P  P2  1  0.053  0.904  0.765  1.0
  P  P3  1  0.904  0.053  0.265  1.0
  O  O4  1  0.741  0.826  0.879  1.0
  O  O5  1  0.135  0.215  0.655  1.0
  O  O6  1  0.215  0.135  0.155  1.0
  O  O7  1  0.826  0.741  0.379  1.0
  O  O8  1  0.842  0.222  0.411  1.0
  O  O9  1  0.719  0.116  0.131  1.0
  O  O10  1  0.116  0.719  0.631  1.0
  O  O11  1  0.222  0.842  0.911  1.0
  O  O12  1  0.317  0.596  0.290  1.0
  O  O13  1  0.596  0.317  0.790  1.0
[/CIF]
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The crystal structure described by CrPO5 crystallizes in the monoclinic Cc space group. Cr(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five 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(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 distorted 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. In the fifth O site, O(5) is bonded in a single-bond geometry to one Cr(1) atom. is represented by the CIF card [CIF]
data_CrPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.128
_cell_length_b   5.128
_cell_length_c   7.406
_cell_angle_alpha   75.015
_cell_angle_beta   75.015
_cell_angle_gamma   96.068
_symmetry_Int_Tables_number   1
_cell_volume   178.587
_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  0.049  0.500  0.471  1.0
  Cr  Cr1  1  0.500  0.049  0.971  1.0
  P  P2  1  0.053  0.904  0.765  1.0
  P  P3  1  0.904  0.053  0.265  1.0
  O  O4  1  0.741  0.826  0.879  1.0
  O  O5  1  0.135  0.215  0.655  1.0
  O  O6  1  0.215  0.135  0.155  1.0
  O  O7  1  0.826  0.741  0.379  1.0
  O  O8  1  0.842  0.222  0.411  1.0
  O  O9  1  0.719  0.116  0.131  1.0
  O  O10  1  0.116  0.719  0.631  1.0
  O  O11  1  0.222  0.842  0.911  1.0
  O  O12  1  0.317  0.596  0.290  1.0
  O  O13  1  0.596  0.317  0.790  1.0
[/CIF]
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