The structure described by CaCrP2O7 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and one O(7) atom. Cr(1) is bonded to one O(3), one O(5), one O(6), one O(7), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three 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 one O(1), one O(2), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-60°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-48°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), 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(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ca(1), one Cr(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ca(1), one Cr(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ca(1), one Cr(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaCrP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.037
_cell_length_b   7.457
_cell_length_c   9.301
_cell_angle_alpha   62.826
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   557.642
_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
  Ca  Ca0  1  0.954  0.277  0.863  1.0
  Ca  Ca1  1  0.454  0.723  0.637  1.0
  Ca  Ca2  1  0.546  0.277  0.363  1.0
  Ca  Ca3  1  0.046  0.723  0.137  1.0
  Cr  Cr4  1  0.077  0.776  0.605  1.0
  Cr  Cr5  1  0.923  0.224  0.395  1.0
  Cr  Cr6  1  0.577  0.224  0.895  1.0
  Cr  Cr7  1  0.423  0.776  0.105  1.0
  P  P8  1  0.721  0.939  0.240  1.0
  P  P9  1  0.240  0.483  0.963  1.0
  P  P10  1  0.779  0.939  0.740  1.0
  P  P11  1  0.260  0.483  0.463  1.0
  P  P12  1  0.221  0.061  0.260  1.0
  P  P13  1  0.740  0.517  0.537  1.0
  P  P14  1  0.760  0.517  0.037  1.0
  P  P15  1  0.279  0.061  0.760  1.0
  O  O16  1  0.178  0.268  0.101  1.0
  O  O17  1  0.635  0.916  0.666  1.0
  O  O18  1  0.865  0.916  0.166  1.0
  O  O19  1  0.383  0.454  0.891  1.0
  O  O20  1  0.822  0.732  0.899  1.0
  O  O21  1  0.086  0.031  0.373  1.0
  O  O22  1  0.617  0.546  0.109  1.0
  O  O23  1  0.105  0.542  0.847  1.0
  O  O24  1  0.243  0.619  0.546  1.0
  O  O25  1  0.914  0.969  0.627  1.0
  O  O26  1  0.414  0.031  0.873  1.0
  O  O27  1  0.777  0.097  0.801  1.0
  O  O28  1  0.277  0.903  0.699  1.0
  O  O29  1  0.322  0.268  0.601  1.0
  O  O30  1  0.586  0.969  0.127  1.0
  O  O31  1  0.135  0.084  0.834  1.0
  O  O32  1  0.223  0.903  0.199  1.0
  O  O33  1  0.895  0.458  0.153  1.0
  O  O34  1  0.257  0.619  0.046  1.0
  O  O35  1  0.743  0.381  0.954  1.0
  O  O36  1  0.883  0.546  0.609  1.0
  O  O37  1  0.395  0.542  0.347  1.0
  O  O38  1  0.605  0.458  0.653  1.0
  O  O39  1  0.365  0.084  0.334  1.0
  O  O40  1  0.723  0.097  0.301  1.0
  O  O41  1  0.117  0.454  0.391  1.0
  O  O42  1  0.757  0.381  0.454  1.0
  O  O43  1  0.678  0.732  0.399  1.0
[/CIF]
.
The structure described by CaCrP2O7 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and one O(7) atom. Cr(1) is bonded to one O(3), one O(5), one O(6), one O(7), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three 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 one O(1), one O(2), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-60°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-48°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), 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(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ca(1), one Cr(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ca(1), one Cr(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ca(1), one Cr(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaCrP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.037
_cell_length_b   7.457
_cell_length_c   9.301
_cell_angle_alpha   62.826
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   557.642
_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
  Ca  Ca0  1  0.954  0.277  0.863  1.0
  Ca  Ca1  1  0.454  0.723  0.637  1.0
  Ca  Ca2  1  0.546  0.277  0.363  1.0
  Ca  Ca3  1  0.046  0.723  0.137  1.0
  Cr  Cr4  1  0.077  0.776  0.605  1.0
  Cr  Cr5  1  0.923  0.224  0.395  1.0
  Cr  Cr6  1  0.577  0.224  0.895  1.0
  Cr  Cr7  1  0.423  0.776  0.105  1.0
  P  P8  1  0.721  0.939  0.240  1.0
  P  P9  1  0.240  0.483  0.963  1.0
  P  P10  1  0.779  0.939  0.740  1.0
  P  P11  1  0.260  0.483  0.463  1.0
  P  P12  1  0.221  0.061  0.260  1.0
  P  P13  1  0.740  0.517  0.537  1.0
  P  P14  1  0.760  0.517  0.037  1.0
  P  P15  1  0.279  0.061  0.760  1.0
  O  O16  1  0.178  0.268  0.101  1.0
  O  O17  1  0.635  0.916  0.666  1.0
  O  O18  1  0.865  0.916  0.166  1.0
  O  O19  1  0.383  0.454  0.891  1.0
  O  O20  1  0.822  0.732  0.899  1.0
  O  O21  1  0.086  0.031  0.373  1.0
  O  O22  1  0.617  0.546  0.109  1.0
  O  O23  1  0.105  0.542  0.847  1.0
  O  O24  1  0.243  0.619  0.546  1.0
  O  O25  1  0.914  0.969  0.627  1.0
  O  O26  1  0.414  0.031  0.873  1.0
  O  O27  1  0.777  0.097  0.801  1.0
  O  O28  1  0.277  0.903  0.699  1.0
  O  O29  1  0.322  0.268  0.601  1.0
  O  O30  1  0.586  0.969  0.127  1.0
  O  O31  1  0.135  0.084  0.834  1.0
  O  O32  1  0.223  0.903  0.199  1.0
  O  O33  1  0.895  0.458  0.153  1.0
  O  O34  1  0.257  0.619  0.046  1.0
  O  O35  1  0.743  0.381  0.954  1.0
  O  O36  1  0.883  0.546  0.609  1.0
  O  O37  1  0.395  0.542  0.347  1.0
  O  O38  1  0.605  0.458  0.653  1.0
  O  O39  1  0.365  0.084  0.334  1.0
  O  O40  1  0.723  0.097  0.301  1.0
  O  O41  1  0.117  0.454  0.391  1.0
  O  O42  1  0.757  0.381  0.454  1.0
  O  O43  1  0.678  0.732  0.399  1.0
[/CIF]
.