The material structure described by Zn2P2O7 crystallizes in the monoclinic C2/m space group. Zn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted ZnO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and edges with three equivalent Zn(1)O6 octahedra. P(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with six equivalent Zn(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-61°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Zn(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one P(1) atom. In the third O site, O(3) is bonded in a linear geometry to two equivalent P(1) atoms. is represented by the CIF file [CIF]
data_Zn2P2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.353
_cell_length_b   5.353
_cell_length_c   4.558
_cell_angle_alpha   80.900
_cell_angle_beta   80.900
_cell_angle_gamma   103.168
_symmetry_Int_Tables_number   1
_cell_volume   123.005
_cell_formula_units_Z   1
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  0.691  0.309  0.500  1.0
  Zn  Zn1  1  0.309  0.691  0.500  1.0
  P  P2  1  0.785  0.785  0.907  1.0
  P  P3  1  0.215  0.215  0.093  1.0
  O  O4  1  0.930  0.626  0.723  1.0
  O  O5  1  0.374  0.070  0.277  1.0
  O  O6  1  0.070  0.374  0.277  1.0
  O  O7  1  0.626  0.930  0.723  1.0
  O  O8  1  0.380  0.380  0.787  1.0
  O  O9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.620  0.620  0.213  1.0
[/CIF]
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The material structure described by Zn2P2O7 crystallizes in the monoclinic C2/m space group. Zn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted ZnO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and edges with three equivalent Zn(1)O6 octahedra. P(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with six equivalent Zn(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-61°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Zn(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one P(1) atom. In the third O site, O(3) is bonded in a linear geometry to two equivalent P(1) atoms. is represented by the CIF file [CIF]
data_Zn2P2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.353
_cell_length_b   5.353
_cell_length_c   4.558
_cell_angle_alpha   80.900
_cell_angle_beta   80.900
_cell_angle_gamma   103.168
_symmetry_Int_Tables_number   1
_cell_volume   123.005
_cell_formula_units_Z   1
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  0.691  0.309  0.500  1.0
  Zn  Zn1  1  0.309  0.691  0.500  1.0
  P  P2  1  0.785  0.785  0.907  1.0
  P  P3  1  0.215  0.215  0.093  1.0
  O  O4  1  0.930  0.626  0.723  1.0
  O  O5  1  0.374  0.070  0.277  1.0
  O  O6  1  0.070  0.374  0.277  1.0
  O  O7  1  0.626  0.930  0.723  1.0
  O  O8  1  0.380  0.380  0.787  1.0
  O  O9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.620  0.620  0.213  1.0
[/CIF]
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