The material structure described by Cr2P3O11 crystallizes in the monoclinic C2/c space group. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and  an edgeedge with one Cr(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(1) and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-38°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-53°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Cr(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to two equivalent P(2) atoms. is represented by the CIF card [CIF]
data_Cr2P3O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.063
_cell_length_b   7.063
_cell_length_c   8.678
_cell_angle_alpha   71.083
_cell_angle_beta   108.917
_cell_angle_gamma   107.475
_symmetry_Int_Tables_number   1
_cell_volume   378.134
_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  0.887  0.635  0.040  1.0
  Cr  Cr1  1  0.365  0.113  0.540  1.0
  Cr  Cr2  1  0.113  0.365  0.960  1.0
  Cr  Cr3  1  0.635  0.887  0.460  1.0
  P  P4  1  0.958  0.958  0.250  1.0
  P  P5  1  0.326  0.546  0.290  1.0
  P  P6  1  0.454  0.674  0.790  1.0
  P  P7  1  0.546  0.326  0.210  1.0
  P  P8  1  0.042  0.042  0.750  1.0
  P  P9  1  0.674  0.454  0.710  1.0
  O  O10  1  0.052  0.243  0.786  1.0
  O  O11  1  0.368  0.279  0.064  1.0
  O  O12  1  0.948  0.757  0.214  1.0
  O  O13  1  0.247  0.619  0.825  1.0
  O  O14  1  0.151  0.532  0.128  1.0
  O  O15  1  0.867  0.020  0.595  1.0
  O  O16  1  0.279  0.368  0.436  1.0
  O  O17  1  0.480  0.480  0.750  1.0
  O  O18  1  0.849  0.468  0.872  1.0
  O  O19  1  0.532  0.151  0.372  1.0
  O  O20  1  0.753  0.381  0.175  1.0
  O  O21  1  0.757  0.948  0.286  1.0
  O  O22  1  0.243  0.052  0.714  1.0
  O  O23  1  0.468  0.849  0.628  1.0
  O  O24  1  0.980  0.133  0.095  1.0
  O  O25  1  0.133  0.980  0.405  1.0
  O  O26  1  0.519  0.519  0.250  1.0
  O  O27  1  0.381  0.753  0.325  1.0
  O  O28  1  0.632  0.721  0.936  1.0
  O  O29  1  0.619  0.247  0.675  1.0
  O  O30  1  0.721  0.632  0.564  1.0
  O  O31  1  0.020  0.867  0.905  1.0
[/CIF]
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The material structure described by Cr2P3O11 crystallizes in the monoclinic C2/c space group. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and  an edgeedge with one Cr(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(1) and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-38°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-53°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Cr(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to two equivalent P(2) atoms. is represented by the CIF card [CIF]
data_Cr2P3O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.063
_cell_length_b   7.063
_cell_length_c   8.678
_cell_angle_alpha   71.083
_cell_angle_beta   108.917
_cell_angle_gamma   107.475
_symmetry_Int_Tables_number   1
_cell_volume   378.134
_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  0.887  0.635  0.040  1.0
  Cr  Cr1  1  0.365  0.113  0.540  1.0
  Cr  Cr2  1  0.113  0.365  0.960  1.0
  Cr  Cr3  1  0.635  0.887  0.460  1.0
  P  P4  1  0.958  0.958  0.250  1.0
  P  P5  1  0.326  0.546  0.290  1.0
  P  P6  1  0.454  0.674  0.790  1.0
  P  P7  1  0.546  0.326  0.210  1.0
  P  P8  1  0.042  0.042  0.750  1.0
  P  P9  1  0.674  0.454  0.710  1.0
  O  O10  1  0.052  0.243  0.786  1.0
  O  O11  1  0.368  0.279  0.064  1.0
  O  O12  1  0.948  0.757  0.214  1.0
  O  O13  1  0.247  0.619  0.825  1.0
  O  O14  1  0.151  0.532  0.128  1.0
  O  O15  1  0.867  0.020  0.595  1.0
  O  O16  1  0.279  0.368  0.436  1.0
  O  O17  1  0.480  0.480  0.750  1.0
  O  O18  1  0.849  0.468  0.872  1.0
  O  O19  1  0.532  0.151  0.372  1.0
  O  O20  1  0.753  0.381  0.175  1.0
  O  O21  1  0.757  0.948  0.286  1.0
  O  O22  1  0.243  0.052  0.714  1.0
  O  O23  1  0.468  0.849  0.628  1.0
  O  O24  1  0.980  0.133  0.095  1.0
  O  O25  1  0.133  0.980  0.405  1.0
  O  O26  1  0.519  0.519  0.250  1.0
  O  O27  1  0.381  0.753  0.325  1.0
  O  O28  1  0.632  0.721  0.936  1.0
  O  O29  1  0.619  0.247  0.675  1.0
  O  O30  1  0.721  0.632  0.564  1.0
  O  O31  1  0.020  0.867  0.905  1.0
[/CIF]
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