The crystal structure described by Zn2AsHO5 crystallizes in the orthorhombic Pnnm space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(1), two equivalent O(2), 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(2)O5 trigonal bipyramids, and edges with two equivalent Zn(1)O6 octahedra. In the second Zn site, Zn(2) is bonded to one O(2), two equivalent O(3), and two equivalent O(4) atoms to form ZnO5 trigonal bipyramids that share corners with four equivalent Zn(1)O6 octahedra, corners with four equivalent As(1)O4 tetrahedra, and  an edgeedge with one Zn(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 54-65°. As(1) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form AsO4 tetrahedra that share corners with four equivalent Zn(1)O6 octahedra and corners with four equivalent Zn(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 57-64°. H(1) is bonded in a single-bond geometry to one O(2) atom. 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 distorted single-bond geometry to one Zn(2), two equivalent Zn(1), and one H(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent 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), one Zn(2), and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2AsHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.145
_cell_length_b   8.465
_cell_length_c   8.649
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   449.848
_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  0.746  0.000  0.500  1.0
  Zn  Zn1  1  0.754  0.500  0.000  1.0
  Zn  Zn2  1  0.254  0.000  0.500  1.0
  Zn  Zn3  1  0.246  0.500  0.000  1.0
  Zn  Zn4  1  0.500  0.133  0.133  1.0
  Zn  Zn5  1  0.500  0.867  0.867  1.0
  Zn  Zn6  1  0.000  0.633  0.367  1.0
  Zn  Zn7  1  0.000  0.367  0.633  1.0
  As  As8  1  0.000  0.250  0.256  1.0
  As  As9  1  0.000  0.750  0.744  1.0
  As  As10  1  0.500  0.750  0.244  1.0
  As  As11  1  0.500  0.250  0.756  1.0
  H  H12  1  0.500  0.213  0.407  1.0
  H  H13  1  0.500  0.787  0.593  1.0
  H  H14  1  0.000  0.713  0.093  1.0
  H  H15  1  0.000  0.287  0.907  1.0
  O  O16  1  0.000  0.072  0.355  1.0
  O  O17  1  0.000  0.928  0.645  1.0
  O  O18  1  0.500  0.572  0.145  1.0
  O  O19  1  0.500  0.428  0.855  1.0
  O  O20  1  0.500  0.105  0.369  1.0
  O  O21  1  0.500  0.895  0.631  1.0
  O  O22  1  0.000  0.605  0.131  1.0
  O  O23  1  0.000  0.395  0.869  1.0
  O  O24  1  0.000  0.394  0.396  1.0
  O  O25  1  0.000  0.606  0.604  1.0
  O  O26  1  0.500  0.894  0.104  1.0
  O  O27  1  0.500  0.106  0.896  1.0
  O  O28  1  0.775  0.271  0.137  1.0
  O  O29  1  0.775  0.729  0.863  1.0
  O  O30  1  0.725  0.771  0.363  1.0
  O  O31  1  0.725  0.229  0.637  1.0
  O  O32  1  0.225  0.729  0.863  1.0
  O  O33  1  0.225  0.271  0.137  1.0
  O  O34  1  0.275  0.229  0.637  1.0
  O  O35  1  0.275  0.771  0.363  1.0
[/CIF]
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The crystal structure described by Zn2AsHO5 crystallizes in the orthorhombic Pnnm space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(1), two equivalent O(2), 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(2)O5 trigonal bipyramids, and edges with two equivalent Zn(1)O6 octahedra. In the second Zn site, Zn(2) is bonded to one O(2), two equivalent O(3), and two equivalent O(4) atoms to form ZnO5 trigonal bipyramids that share corners with four equivalent Zn(1)O6 octahedra, corners with four equivalent As(1)O4 tetrahedra, and  an edgeedge with one Zn(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 54-65°. As(1) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form AsO4 tetrahedra that share corners with four equivalent Zn(1)O6 octahedra and corners with four equivalent Zn(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 57-64°. H(1) is bonded in a single-bond geometry to one O(2) atom. 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 distorted single-bond geometry to one Zn(2), two equivalent Zn(1), and one H(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent 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), one Zn(2), and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2AsHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.145
_cell_length_b   8.465
_cell_length_c   8.649
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   449.848
_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  0.746  0.000  0.500  1.0
  Zn  Zn1  1  0.754  0.500  0.000  1.0
  Zn  Zn2  1  0.254  0.000  0.500  1.0
  Zn  Zn3  1  0.246  0.500  0.000  1.0
  Zn  Zn4  1  0.500  0.133  0.133  1.0
  Zn  Zn5  1  0.500  0.867  0.867  1.0
  Zn  Zn6  1  0.000  0.633  0.367  1.0
  Zn  Zn7  1  0.000  0.367  0.633  1.0
  As  As8  1  0.000  0.250  0.256  1.0
  As  As9  1  0.000  0.750  0.744  1.0
  As  As10  1  0.500  0.750  0.244  1.0
  As  As11  1  0.500  0.250  0.756  1.0
  H  H12  1  0.500  0.213  0.407  1.0
  H  H13  1  0.500  0.787  0.593  1.0
  H  H14  1  0.000  0.713  0.093  1.0
  H  H15  1  0.000  0.287  0.907  1.0
  O  O16  1  0.000  0.072  0.355  1.0
  O  O17  1  0.000  0.928  0.645  1.0
  O  O18  1  0.500  0.572  0.145  1.0
  O  O19  1  0.500  0.428  0.855  1.0
  O  O20  1  0.500  0.105  0.369  1.0
  O  O21  1  0.500  0.895  0.631  1.0
  O  O22  1  0.000  0.605  0.131  1.0
  O  O23  1  0.000  0.395  0.869  1.0
  O  O24  1  0.000  0.394  0.396  1.0
  O  O25  1  0.000  0.606  0.604  1.0
  O  O26  1  0.500  0.894  0.104  1.0
  O  O27  1  0.500  0.106  0.896  1.0
  O  O28  1  0.775  0.271  0.137  1.0
  O  O29  1  0.775  0.729  0.863  1.0
  O  O30  1  0.725  0.771  0.363  1.0
  O  O31  1  0.725  0.229  0.637  1.0
  O  O32  1  0.225  0.729  0.863  1.0
  O  O33  1  0.225  0.271  0.137  1.0
  O  O34  1  0.275  0.229  0.637  1.0
  O  O35  1  0.275  0.771  0.363  1.0
[/CIF]
.