The material described by Zn2PO5 crystallizes in the triclinic P-1 space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(4), two equivalent O(3), and two equivalent O(5) atoms to form ZnO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent Zn(2)O5 trigonal bipyramids, and edges with two equivalent Zn(1)O5 trigonal bipyramids. In the second Zn site, Zn(2) is bonded to one O(1), one O(4), one O(5), and two equivalent O(2) atoms to form ZnO5 trigonal bipyramids that share corners with four equivalent P(1)O4 tetrahedra, corners with three equivalent Zn(1)O5 trigonal bipyramids, and  an edgeedge with one Zn(2)O5 trigonal bipyramid. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Zn(1)O5 trigonal bipyramids and corners with four equivalent Zn(2)O5 trigonal bipyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Zn(2) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Zn(2) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Zn(2) and two equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2PO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.599
_cell_length_b   5.760
_cell_length_c   6.563
_cell_angle_alpha   103.581
_cell_angle_beta   102.232
_cell_angle_gamma   87.180
_symmetry_Int_Tables_number   1
_cell_volume   201.079
_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  0.612  0.757  0.509  1.0
  Zn  Zn1  1  0.388  0.243  0.491  1.0
  Zn  Zn2  1  0.967  0.260  0.810  1.0
  Zn  Zn3  1  0.033  0.740  0.190  1.0
  P  P4  1  0.165  0.751  0.727  1.0
  P  P5  1  0.835  0.249  0.273  1.0
  O  O6  1  0.220  0.011  0.848  1.0
  O  O7  1  0.780  0.989  0.152  1.0
  O  O8  1  0.061  0.612  0.868  1.0
  O  O9  1  0.939  0.388  0.132  1.0
  O  O10  1  0.397  0.618  0.664  1.0
  O  O11  1  0.603  0.382  0.336  1.0
  O  O12  1  0.032  0.253  0.485  1.0
  O  O13  1  0.968  0.747  0.515  1.0
  O  O14  1  0.641  0.107  0.689  1.0
  O  O15  1  0.359  0.893  0.311  1.0
[/CIF]
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The material described by Zn2PO5 crystallizes in the triclinic P-1 space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(4), two equivalent O(3), and two equivalent O(5) atoms to form ZnO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent Zn(2)O5 trigonal bipyramids, and edges with two equivalent Zn(1)O5 trigonal bipyramids. In the second Zn site, Zn(2) is bonded to one O(1), one O(4), one O(5), and two equivalent O(2) atoms to form ZnO5 trigonal bipyramids that share corners with four equivalent P(1)O4 tetrahedra, corners with three equivalent Zn(1)O5 trigonal bipyramids, and  an edgeedge with one Zn(2)O5 trigonal bipyramid. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Zn(1)O5 trigonal bipyramids and corners with four equivalent Zn(2)O5 trigonal bipyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Zn(2) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Zn(2) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Zn(2) and two equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2PO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.599
_cell_length_b   5.760
_cell_length_c   6.563
_cell_angle_alpha   103.581
_cell_angle_beta   102.232
_cell_angle_gamma   87.180
_symmetry_Int_Tables_number   1
_cell_volume   201.079
_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  0.612  0.757  0.509  1.0
  Zn  Zn1  1  0.388  0.243  0.491  1.0
  Zn  Zn2  1  0.967  0.260  0.810  1.0
  Zn  Zn3  1  0.033  0.740  0.190  1.0
  P  P4  1  0.165  0.751  0.727  1.0
  P  P5  1  0.835  0.249  0.273  1.0
  O  O6  1  0.220  0.011  0.848  1.0
  O  O7  1  0.780  0.989  0.152  1.0
  O  O8  1  0.061  0.612  0.868  1.0
  O  O9  1  0.939  0.388  0.132  1.0
  O  O10  1  0.397  0.618  0.664  1.0
  O  O11  1  0.603  0.382  0.336  1.0
  O  O12  1  0.032  0.253  0.485  1.0
  O  O13  1  0.968  0.747  0.515  1.0
  O  O14  1  0.641  0.107  0.689  1.0
  O  O15  1  0.359  0.893  0.311  1.0
[/CIF]
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