The crystal structure described by ZnBiAsO5 crystallizes in the orthorhombic P2_12_12_1 space group. Zn(1) is bonded in a distorted T-shaped geometry to one O(2), one O(3), and one O(5) atom. Bi(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form BiO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra and edges with two equivalent Bi(1)O6 octahedra. As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Bi(1) and one As(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Zn(1) and one As(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Zn(1), one Bi(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Bi(1) and one As(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1) and two equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_ZnBiAsO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.255
_cell_length_b   8.131
_cell_length_c   8.999
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   530.931
_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  0.051  0.744  0.682  1.0
  Zn  Zn1  1  0.449  0.256  0.182  1.0
  Zn  Zn2  1  0.949  0.244  0.818  1.0
  Zn  Zn3  1  0.551  0.756  0.318  1.0
  Bi  Bi4  1  0.262  0.751  0.015  1.0
  Bi  Bi5  1  0.238  0.249  0.515  1.0
  Bi  Bi6  1  0.738  0.251  0.485  1.0
  Bi  Bi7  1  0.762  0.749  0.985  1.0
  As  As8  1  0.490  0.130  0.851  1.0
  As  As9  1  0.010  0.870  0.351  1.0
  As  As10  1  0.510  0.630  0.649  1.0
  As  As11  1  0.990  0.370  0.149  1.0
  O  O12  1  0.503  0.945  0.950  1.0
  O  O13  1  0.997  0.055  0.450  1.0
  O  O14  1  0.497  0.445  0.550  1.0
  O  O15  1  0.003  0.555  0.050  1.0
  O  O16  1  0.464  0.288  0.975  1.0
  O  O17  1  0.036  0.712  0.475  1.0
  O  O18  1  0.536  0.788  0.525  1.0
  O  O19  1  0.964  0.212  0.025  1.0
  O  O20  1  0.690  0.155  0.749  1.0
  O  O21  1  0.810  0.845  0.249  1.0
  O  O22  1  0.310  0.655  0.751  1.0
  O  O23  1  0.190  0.345  0.251  1.0
  O  O24  1  0.299  0.123  0.737  1.0
  O  O25  1  0.201  0.877  0.237  1.0
  O  O26  1  0.701  0.623  0.763  1.0
  O  O27  1  0.799  0.377  0.263  1.0
  O  O28  1  0.001  0.849  0.862  1.0
  O  O29  1  0.499  0.151  0.362  1.0
  O  O30  1  0.999  0.349  0.638  1.0
  O  O31  1  0.501  0.651  0.138  1.0
[/CIF]
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The crystal structure described by ZnBiAsO5 crystallizes in the orthorhombic P2_12_12_1 space group. Zn(1) is bonded in a distorted T-shaped geometry to one O(2), one O(3), and one O(5) atom. Bi(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form BiO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra and edges with two equivalent Bi(1)O6 octahedra. As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Bi(1) and one As(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Zn(1) and one As(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Zn(1), one Bi(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Bi(1) and one As(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1) and two equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_ZnBiAsO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.255
_cell_length_b   8.131
_cell_length_c   8.999
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   530.931
_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  0.051  0.744  0.682  1.0
  Zn  Zn1  1  0.449  0.256  0.182  1.0
  Zn  Zn2  1  0.949  0.244  0.818  1.0
  Zn  Zn3  1  0.551  0.756  0.318  1.0
  Bi  Bi4  1  0.262  0.751  0.015  1.0
  Bi  Bi5  1  0.238  0.249  0.515  1.0
  Bi  Bi6  1  0.738  0.251  0.485  1.0
  Bi  Bi7  1  0.762  0.749  0.985  1.0
  As  As8  1  0.490  0.130  0.851  1.0
  As  As9  1  0.010  0.870  0.351  1.0
  As  As10  1  0.510  0.630  0.649  1.0
  As  As11  1  0.990  0.370  0.149  1.0
  O  O12  1  0.503  0.945  0.950  1.0
  O  O13  1  0.997  0.055  0.450  1.0
  O  O14  1  0.497  0.445  0.550  1.0
  O  O15  1  0.003  0.555  0.050  1.0
  O  O16  1  0.464  0.288  0.975  1.0
  O  O17  1  0.036  0.712  0.475  1.0
  O  O18  1  0.536  0.788  0.525  1.0
  O  O19  1  0.964  0.212  0.025  1.0
  O  O20  1  0.690  0.155  0.749  1.0
  O  O21  1  0.810  0.845  0.249  1.0
  O  O22  1  0.310  0.655  0.751  1.0
  O  O23  1  0.190  0.345  0.251  1.0
  O  O24  1  0.299  0.123  0.737  1.0
  O  O25  1  0.201  0.877  0.237  1.0
  O  O26  1  0.701  0.623  0.763  1.0
  O  O27  1  0.799  0.377  0.263  1.0
  O  O28  1  0.001  0.849  0.862  1.0
  O  O29  1  0.499  0.151  0.362  1.0
  O  O30  1  0.999  0.349  0.638  1.0
  O  O31  1  0.501  0.651  0.138  1.0
[/CIF]
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