The material structure described by Zn2AsO5 crystallizes in the orthorhombic Pnnm space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(3) atoms to form ZnO5 trigonal bipyramids that share corners with four equivalent Zn(2)O6 octahedra, corners with four equivalent As(1)O4 tetrahedra, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 52-61°. In the second Zn site, Zn(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form ZnO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra, corners with four equivalent Zn(1)O5 trigonal bipyramids, and edges with two equivalent Zn(2)O6 octahedra. As(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form AsO4 tetrahedra that share corners with four equivalent Zn(2)O6 octahedra and corners with four equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 55-68°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Zn(1) and one As(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Zn(2) and one As(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Zn(1), one Zn(2), and one As(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Zn(1) and two equivalent Zn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2AsO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.071
_cell_length_b   8.480
_cell_length_c   8.623
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   443.950
_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
  Zn  Zn0  1  0.000  0.856  0.126  1.0
  Zn  Zn1  1  0.000  0.144  0.874  1.0
  Zn  Zn2  1  0.500  0.644  0.626  1.0
  Zn  Zn3  1  0.500  0.356  0.374  1.0
  Zn  Zn4  1  0.245  0.500  0.000  1.0
  Zn  Zn5  1  0.255  0.000  0.500  1.0
  Zn  Zn6  1  0.755  0.500  0.000  1.0
  Zn  Zn7  1  0.745  0.000  0.500  1.0
  As  As8  1  0.500  0.741  0.251  1.0
  As  As9  1  0.500  0.259  0.749  1.0
  As  As10  1  0.000  0.759  0.751  1.0
  As  As11  1  0.000  0.241  0.249  1.0
  O  O12  1  0.500  0.598  0.394  1.0
  O  O13  1  0.500  0.402  0.606  1.0
  O  O14  1  0.000  0.902  0.894  1.0
  O  O15  1  0.000  0.098  0.106  1.0
  O  O16  1  0.500  0.636  0.077  1.0
  O  O17  1  0.500  0.364  0.923  1.0
  O  O18  1  0.000  0.864  0.577  1.0
  O  O19  1  0.000  0.136  0.423  1.0
  O  O20  1  0.268  0.857  0.265  1.0
  O  O21  1  0.268  0.143  0.735  1.0
  O  O22  1  0.232  0.643  0.765  1.0
  O  O23  1  0.232  0.357  0.235  1.0
  O  O24  1  0.732  0.143  0.735  1.0
  O  O25  1  0.732  0.857  0.265  1.0
  O  O26  1  0.768  0.357  0.235  1.0
  O  O27  1  0.768  0.643  0.765  1.0
  O  O28  1  0.000  0.630  0.076  1.0
  O  O29  1  0.000  0.370  0.924  1.0
  O  O30  1  0.500  0.870  0.576  1.0
  O  O31  1  0.500  0.130  0.424  1.0
[/CIF]
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The material structure described by Zn2AsO5 crystallizes in the orthorhombic Pnnm space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(3) atoms to form ZnO5 trigonal bipyramids that share corners with four equivalent Zn(2)O6 octahedra, corners with four equivalent As(1)O4 tetrahedra, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 52-61°. In the second Zn site, Zn(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form ZnO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra, corners with four equivalent Zn(1)O5 trigonal bipyramids, and edges with two equivalent Zn(2)O6 octahedra. As(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form AsO4 tetrahedra that share corners with four equivalent Zn(2)O6 octahedra and corners with four equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 55-68°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Zn(1) and one As(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Zn(2) and one As(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Zn(1), one Zn(2), and one As(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Zn(1) and two equivalent Zn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2AsO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.071
_cell_length_b   8.480
_cell_length_c   8.623
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   443.950
_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
  Zn  Zn0  1  0.000  0.856  0.126  1.0
  Zn  Zn1  1  0.000  0.144  0.874  1.0
  Zn  Zn2  1  0.500  0.644  0.626  1.0
  Zn  Zn3  1  0.500  0.356  0.374  1.0
  Zn  Zn4  1  0.245  0.500  0.000  1.0
  Zn  Zn5  1  0.255  0.000  0.500  1.0
  Zn  Zn6  1  0.755  0.500  0.000  1.0
  Zn  Zn7  1  0.745  0.000  0.500  1.0
  As  As8  1  0.500  0.741  0.251  1.0
  As  As9  1  0.500  0.259  0.749  1.0
  As  As10  1  0.000  0.759  0.751  1.0
  As  As11  1  0.000  0.241  0.249  1.0
  O  O12  1  0.500  0.598  0.394  1.0
  O  O13  1  0.500  0.402  0.606  1.0
  O  O14  1  0.000  0.902  0.894  1.0
  O  O15  1  0.000  0.098  0.106  1.0
  O  O16  1  0.500  0.636  0.077  1.0
  O  O17  1  0.500  0.364  0.923  1.0
  O  O18  1  0.000  0.864  0.577  1.0
  O  O19  1  0.000  0.136  0.423  1.0
  O  O20  1  0.268  0.857  0.265  1.0
  O  O21  1  0.268  0.143  0.735  1.0
  O  O22  1  0.232  0.643  0.765  1.0
  O  O23  1  0.232  0.357  0.235  1.0
  O  O24  1  0.732  0.143  0.735  1.0
  O  O25  1  0.732  0.857  0.265  1.0
  O  O26  1  0.768  0.357  0.235  1.0
  O  O27  1  0.768  0.643  0.765  1.0
  O  O28  1  0.000  0.630  0.076  1.0
  O  O29  1  0.000  0.370  0.924  1.0
  O  O30  1  0.500  0.870  0.576  1.0
  O  O31  1  0.500  0.130  0.424  1.0
[/CIF]
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