The material described by CrP2O7 crystallizes in the triclinic P-1 space group. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(7) atom to form CrO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and corners with three equivalent Cr(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with two equivalent Cr(1)O5 trigonal bipyramids. There are seven 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 bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(2) atom. is represented by the CIF card [CIF]
data_CrP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.146
_cell_length_b   6.577
_cell_length_c   7.281
_cell_angle_alpha   90.681
_cell_angle_beta   96.460
_cell_angle_gamma   111.056
_symmetry_Int_Tables_number   1
_cell_volume   272.485
_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  0.882  0.261  0.209  1.0
  Cr  Cr1  1  0.118  0.739  0.791  1.0
  P  P2  1  0.322  0.136  0.118  1.0
  P  P3  1  0.678  0.864  0.882  1.0
  P  P4  1  0.778  0.258  0.619  1.0
  P  P5  1  0.222  0.742  0.381  1.0
  O  O6  1  0.241  0.029  0.923  1.0
  O  O7  1  0.759  0.971  0.077  1.0
  O  O8  1  0.188  0.283  0.166  1.0
  O  O9  1  0.812  0.717  0.834  1.0
  O  O10  1  0.585  0.284  0.143  1.0
  O  O11  1  0.415  0.716  0.857  1.0
  O  O12  1  0.431  0.682  0.435  1.0
  O  O13  1  0.569  0.318  0.565  1.0
  O  O14  1  0.859  0.171  0.446  1.0
  O  O15  1  0.141  0.829  0.554  1.0
  O  O16  1  0.712  0.046  0.738  1.0
  O  O17  1  0.007  0.574  0.265  1.0
  O  O18  1  0.993  0.426  0.735  1.0
  O  O19  1  0.288  0.954  0.262  1.0
[/CIF]
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The material described by CrP2O7 crystallizes in the triclinic P-1 space group. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(7) atom to form CrO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and corners with three equivalent Cr(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with two equivalent Cr(1)O5 trigonal bipyramids. There are seven 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 bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(2) atom. is represented by the CIF card [CIF]
data_CrP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.146
_cell_length_b   6.577
_cell_length_c   7.281
_cell_angle_alpha   90.681
_cell_angle_beta   96.460
_cell_angle_gamma   111.056
_symmetry_Int_Tables_number   1
_cell_volume   272.485
_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  0.882  0.261  0.209  1.0
  Cr  Cr1  1  0.118  0.739  0.791  1.0
  P  P2  1  0.322  0.136  0.118  1.0
  P  P3  1  0.678  0.864  0.882  1.0
  P  P4  1  0.778  0.258  0.619  1.0
  P  P5  1  0.222  0.742  0.381  1.0
  O  O6  1  0.241  0.029  0.923  1.0
  O  O7  1  0.759  0.971  0.077  1.0
  O  O8  1  0.188  0.283  0.166  1.0
  O  O9  1  0.812  0.717  0.834  1.0
  O  O10  1  0.585  0.284  0.143  1.0
  O  O11  1  0.415  0.716  0.857  1.0
  O  O12  1  0.431  0.682  0.435  1.0
  O  O13  1  0.569  0.318  0.565  1.0
  O  O14  1  0.859  0.171  0.446  1.0
  O  O15  1  0.141  0.829  0.554  1.0
  O  O16  1  0.712  0.046  0.738  1.0
  O  O17  1  0.007  0.574  0.265  1.0
  O  O18  1  0.993  0.426  0.735  1.0
  O  O19  1  0.288  0.954  0.262  1.0
[/CIF]
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