The compound described by CrZnP2O7 crystallizes in the triclinic P-1 space group. Cr(1) is bonded to one O(2), one O(4), one O(7), and two equivalent O(6) atoms to form CrO5 square pyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Cr(1)O5 square pyramid, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. Zn(1) is bonded to one O(2), one O(3), one O(7), and two equivalent O(5) atoms to form distorted ZnO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Cr(1)O5 square pyramid, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Cr(1)O5 square pyramids,  a cornercorner with one P(2)O4 tetrahedra, and corners with three equivalent Zn(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(1), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O5 square pyramids,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent Zn(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 P(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cr(1), one Zn(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Zn(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Cr(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Cr(1), one Zn(1), and one P(2) atom. is represented by the CIF file [CIF]
data_ZnCrP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.447
_cell_length_b   7.271
_cell_length_c   6.374
_cell_angle_alpha   74.792
_cell_angle_beta   81.142
_cell_angle_gamma   70.208
_symmetry_Int_Tables_number   1
_cell_volume   270.552
_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
  Zn  Zn0  1  0.288  0.187  0.919  1.0
  Zn  Zn1  1  0.712  0.813  0.081  1.0
  Cr  Cr2  1  0.906  0.220  0.319  1.0
  Cr  Cr3  1  0.094  0.780  0.681  1.0
  P  P4  1  0.213  0.763  0.171  1.0
  P  P5  1  0.787  0.237  0.829  1.0
  P  P6  1  0.639  0.682  0.618  1.0
  P  P7  1  0.361  0.318  0.382  1.0
  O  O8  1  0.625  0.458  0.749  1.0
  O  O9  1  0.375  0.542  0.251  1.0
  O  O10  1  0.058  0.758  0.012  1.0
  O  O11  1  0.942  0.242  0.988  1.0
  O  O12  1  0.259  0.341  0.611  1.0
  O  O13  1  0.741  0.659  0.389  1.0
  O  O14  1  0.599  0.188  0.369  1.0
  O  O15  1  0.401  0.812  0.631  1.0
  O  O16  1  0.626  0.118  0.944  1.0
  O  O17  1  0.374  0.881  0.056  1.0
  O  O18  1  0.928  0.150  0.642  1.0
  O  O19  1  0.072  0.850  0.357  1.0
  O  O20  1  0.214  0.270  0.246  1.0
  O  O21  1  0.786  0.730  0.754  1.0
[/CIF]
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The compound described by CrZnP2O7 crystallizes in the triclinic P-1 space group. Cr(1) is bonded to one O(2), one O(4), one O(7), and two equivalent O(6) atoms to form CrO5 square pyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Cr(1)O5 square pyramid, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. Zn(1) is bonded to one O(2), one O(3), one O(7), and two equivalent O(5) atoms to form distorted ZnO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Cr(1)O5 square pyramid, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Cr(1)O5 square pyramids,  a cornercorner with one P(2)O4 tetrahedra, and corners with three equivalent Zn(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(1), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O5 square pyramids,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent Zn(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 P(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cr(1), one Zn(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Zn(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Cr(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Cr(1), one Zn(1), and one P(2) atom. is represented by the CIF file [CIF]
data_ZnCrP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.447
_cell_length_b   7.271
_cell_length_c   6.374
_cell_angle_alpha   74.792
_cell_angle_beta   81.142
_cell_angle_gamma   70.208
_symmetry_Int_Tables_number   1
_cell_volume   270.552
_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
  Zn  Zn0  1  0.288  0.187  0.919  1.0
  Zn  Zn1  1  0.712  0.813  0.081  1.0
  Cr  Cr2  1  0.906  0.220  0.319  1.0
  Cr  Cr3  1  0.094  0.780  0.681  1.0
  P  P4  1  0.213  0.763  0.171  1.0
  P  P5  1  0.787  0.237  0.829  1.0
  P  P6  1  0.639  0.682  0.618  1.0
  P  P7  1  0.361  0.318  0.382  1.0
  O  O8  1  0.625  0.458  0.749  1.0
  O  O9  1  0.375  0.542  0.251  1.0
  O  O10  1  0.058  0.758  0.012  1.0
  O  O11  1  0.942  0.242  0.988  1.0
  O  O12  1  0.259  0.341  0.611  1.0
  O  O13  1  0.741  0.659  0.389  1.0
  O  O14  1  0.599  0.188  0.369  1.0
  O  O15  1  0.401  0.812  0.631  1.0
  O  O16  1  0.626  0.118  0.944  1.0
  O  O17  1  0.374  0.881  0.056  1.0
  O  O18  1  0.928  0.150  0.642  1.0
  O  O19  1  0.072  0.850  0.357  1.0
  O  O20  1  0.214  0.270  0.246  1.0
  O  O21  1  0.786  0.730  0.754  1.0
[/CIF]
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