The material structure described by CuZnAsO5 crystallizes in the orthorhombic Pnnm space group. Cu(1) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form distorted CuO4 octahedra that share corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent Zn(1)O5 trigonal bipyramids, and edges with two equivalent Cu(1)O4 octahedra. 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 two equivalent Cu(1)O4 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 are 54°. 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 two equivalent Cu(1)O4 octahedra and corners with four equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 56°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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 Cu(1) and one As(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Zn(1) and one As(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Cu(1) and one Zn(1) atom. is represented by the CIF file [CIF]
data_ZnCuAsO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.814
_cell_length_b   8.700
_cell_length_c   8.899
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   450.097
_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  0.851  0.391  1.0
  Zn  Zn1  1  0.000  0.149  0.609  1.0
  Zn  Zn2  1  0.500  0.351  0.109  1.0
  Zn  Zn3  1  0.500  0.649  0.891  1.0
  Cu  Cu4  1  0.746  0.000  0.000  1.0
  Cu  Cu5  1  0.254  0.000  0.000  1.0
  Cu  Cu6  1  0.754  0.500  0.500  1.0
  Cu  Cu7  1  0.246  0.500  0.500  1.0
  As  As8  1  0.000  0.773  0.755  1.0
  As  As9  1  0.000  0.227  0.245  1.0
  As  As10  1  0.500  0.273  0.745  1.0
  As  As11  1  0.500  0.727  0.255  1.0
  O  O12  1  0.000  0.906  0.611  1.0
  O  O13  1  0.000  0.094  0.389  1.0
  O  O14  1  0.500  0.406  0.889  1.0
  O  O15  1  0.500  0.594  0.111  1.0
  O  O16  1  0.000  0.876  0.929  1.0
  O  O17  1  0.000  0.124  0.071  1.0
  O  O18  1  0.500  0.376  0.571  1.0
  O  O19  1  0.500  0.624  0.429  1.0
  O  O20  1  0.761  0.661  0.750  1.0
  O  O21  1  0.239  0.339  0.250  1.0
  O  O22  1  0.761  0.339  0.250  1.0
  O  O23  1  0.739  0.161  0.750  1.0
  O  O24  1  0.239  0.661  0.750  1.0
  O  O25  1  0.261  0.839  0.250  1.0
  O  O26  1  0.739  0.839  0.250  1.0
  O  O27  1  0.261  0.161  0.750  1.0
  O  O28  1  0.000  0.616  0.434  1.0
  O  O29  1  0.000  0.384  0.566  1.0
  O  O30  1  0.500  0.116  0.066  1.0
  O  O31  1  0.500  0.884  0.934  1.0
[/CIF]
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The material structure described by CuZnAsO5 crystallizes in the orthorhombic Pnnm space group. Cu(1) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form distorted CuO4 octahedra that share corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent Zn(1)O5 trigonal bipyramids, and edges with two equivalent Cu(1)O4 octahedra. 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 two equivalent Cu(1)O4 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 are 54°. 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 two equivalent Cu(1)O4 octahedra and corners with four equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 56°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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 Cu(1) and one As(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Zn(1) and one As(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Cu(1) and one Zn(1) atom. is represented by the CIF file [CIF]
data_ZnCuAsO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.814
_cell_length_b   8.700
_cell_length_c   8.899
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   450.097
_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  0.851  0.391  1.0
  Zn  Zn1  1  0.000  0.149  0.609  1.0
  Zn  Zn2  1  0.500  0.351  0.109  1.0
  Zn  Zn3  1  0.500  0.649  0.891  1.0
  Cu  Cu4  1  0.746  0.000  0.000  1.0
  Cu  Cu5  1  0.254  0.000  0.000  1.0
  Cu  Cu6  1  0.754  0.500  0.500  1.0
  Cu  Cu7  1  0.246  0.500  0.500  1.0
  As  As8  1  0.000  0.773  0.755  1.0
  As  As9  1  0.000  0.227  0.245  1.0
  As  As10  1  0.500  0.273  0.745  1.0
  As  As11  1  0.500  0.727  0.255  1.0
  O  O12  1  0.000  0.906  0.611  1.0
  O  O13  1  0.000  0.094  0.389  1.0
  O  O14  1  0.500  0.406  0.889  1.0
  O  O15  1  0.500  0.594  0.111  1.0
  O  O16  1  0.000  0.876  0.929  1.0
  O  O17  1  0.000  0.124  0.071  1.0
  O  O18  1  0.500  0.376  0.571  1.0
  O  O19  1  0.500  0.624  0.429  1.0
  O  O20  1  0.761  0.661  0.750  1.0
  O  O21  1  0.239  0.339  0.250  1.0
  O  O22  1  0.761  0.339  0.250  1.0
  O  O23  1  0.739  0.161  0.750  1.0
  O  O24  1  0.239  0.661  0.750  1.0
  O  O25  1  0.261  0.839  0.250  1.0
  O  O26  1  0.739  0.839  0.250  1.0
  O  O27  1  0.261  0.161  0.750  1.0
  O  O28  1  0.000  0.616  0.434  1.0
  O  O29  1  0.000  0.384  0.566  1.0
  O  O30  1  0.500  0.116  0.066  1.0
  O  O31  1  0.500  0.884  0.934  1.0
[/CIF]
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