The material described by CaZnAsHO5 crystallizes in the orthorhombic P2_12_12_1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. Zn(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form ZnO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra and edges with two equivalent Zn(1)O6 octahedra. As(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form AsO4 tetrahedra that share corners with four equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-59°. H(1) is bonded in a single-bond geometry to one O(1) and one O(4) atom. There are five inequivalent O sites. In the first O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Zn(1), and one As(1) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to one Ca(1), two equivalent Zn(1), and one H(1) atom. In the third O site, O(2) is bonded to two equivalent Ca(1), one Zn(1), and one As(1) atom to form distorted OCa2ZnAs trigonal pyramids that share corners with two equivalent O(2)Ca2ZnAs trigonal pyramids, corners with three equivalent O(3)CaZn2As trigonal pyramids, and  an edgeedge with one O(3)CaZn2As trigonal pyramid. In the fourth O site, O(3) is bonded to one Ca(1), two equivalent Zn(1), and one As(1) atom to form distorted OCaZn2As trigonal pyramids that share corners with two equivalent O(3)CaZn2As trigonal pyramids, corners with three equivalent O(2)Ca2ZnAs trigonal pyramids, and  an edgeedge with one O(2)Ca2ZnAs trigonal pyramid. In the fifth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one As(1), and one H(1) atom. is represented by the CIF card [CIF]
data_CaZnAsHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.934
_cell_length_b   7.489
_cell_length_c   9.047
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   402.010
_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
  Ca  Ca0  1  0.024  0.370  0.827  1.0
  Ca  Ca1  1  0.524  0.130  0.173  1.0
  Ca  Ca2  1  0.976  0.870  0.673  1.0
  Ca  Ca3  1  0.476  0.630  0.327  1.0
  Zn  Zn4  1  0.258  0.764  0.994  1.0
  Zn  Zn5  1  0.758  0.736  0.006  1.0
  Zn  Zn6  1  0.742  0.264  0.506  1.0
  Zn  Zn7  1  0.242  0.236  0.494  1.0
  As  As8  1  0.983  0.375  0.176  1.0
  As  As9  1  0.483  0.125  0.824  1.0
  As  As10  1  0.017  0.875  0.324  1.0
  As  As11  1  0.517  0.625  0.676  1.0
  H  H12  1  0.979  0.008  0.981  1.0
  H  H13  1  0.479  0.492  0.019  1.0
  H  H14  1  0.021  0.508  0.519  1.0
  H  H15  1  0.521  0.992  0.481  1.0
  O  O16  1  0.992  0.893  0.928  1.0
  O  O17  1  0.492  0.607  0.072  1.0
  O  O18  1  0.008  0.393  0.572  1.0
  O  O19  1  0.508  0.107  0.428  1.0
  O  O20  1  0.744  0.605  0.790  1.0
  O  O21  1  0.244  0.895  0.210  1.0
  O  O22  1  0.256  0.105  0.710  1.0
  O  O23  1  0.756  0.395  0.290  1.0
  O  O24  1  0.489  0.448  0.557  1.0
  O  O25  1  0.989  0.052  0.443  1.0
  O  O26  1  0.511  0.948  0.943  1.0
  O  O27  1  0.011  0.552  0.057  1.0
  O  O28  1  0.591  0.795  0.561  1.0
  O  O29  1  0.091  0.705  0.439  1.0
  O  O30  1  0.409  0.295  0.939  1.0
  O  O31  1  0.909  0.205  0.061  1.0
  O  O32  1  0.232  0.347  0.267  1.0
  O  O33  1  0.732  0.153  0.733  1.0
  O  O34  1  0.768  0.847  0.233  1.0
  O  O35  1  0.268  0.653  0.767  1.0
[/CIF]
.
The material described by CaZnAsHO5 crystallizes in the orthorhombic P2_12_12_1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. Zn(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form ZnO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra and edges with two equivalent Zn(1)O6 octahedra. As(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form AsO4 tetrahedra that share corners with four equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-59°. H(1) is bonded in a single-bond geometry to one O(1) and one O(4) atom. There are five inequivalent O sites. In the first O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Zn(1), and one As(1) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to one Ca(1), two equivalent Zn(1), and one H(1) atom. In the third O site, O(2) is bonded to two equivalent Ca(1), one Zn(1), and one As(1) atom to form distorted OCa2ZnAs trigonal pyramids that share corners with two equivalent O(2)Ca2ZnAs trigonal pyramids, corners with three equivalent O(3)CaZn2As trigonal pyramids, and  an edgeedge with one O(3)CaZn2As trigonal pyramid. In the fourth O site, O(3) is bonded to one Ca(1), two equivalent Zn(1), and one As(1) atom to form distorted OCaZn2As trigonal pyramids that share corners with two equivalent O(3)CaZn2As trigonal pyramids, corners with three equivalent O(2)Ca2ZnAs trigonal pyramids, and  an edgeedge with one O(2)Ca2ZnAs trigonal pyramid. In the fifth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one As(1), and one H(1) atom. is represented by the CIF card [CIF]
data_CaZnAsHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.934
_cell_length_b   7.489
_cell_length_c   9.047
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   402.010
_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
  Ca  Ca0  1  0.024  0.370  0.827  1.0
  Ca  Ca1  1  0.524  0.130  0.173  1.0
  Ca  Ca2  1  0.976  0.870  0.673  1.0
  Ca  Ca3  1  0.476  0.630  0.327  1.0
  Zn  Zn4  1  0.258  0.764  0.994  1.0
  Zn  Zn5  1  0.758  0.736  0.006  1.0
  Zn  Zn6  1  0.742  0.264  0.506  1.0
  Zn  Zn7  1  0.242  0.236  0.494  1.0
  As  As8  1  0.983  0.375  0.176  1.0
  As  As9  1  0.483  0.125  0.824  1.0
  As  As10  1  0.017  0.875  0.324  1.0
  As  As11  1  0.517  0.625  0.676  1.0
  H  H12  1  0.979  0.008  0.981  1.0
  H  H13  1  0.479  0.492  0.019  1.0
  H  H14  1  0.021  0.508  0.519  1.0
  H  H15  1  0.521  0.992  0.481  1.0
  O  O16  1  0.992  0.893  0.928  1.0
  O  O17  1  0.492  0.607  0.072  1.0
  O  O18  1  0.008  0.393  0.572  1.0
  O  O19  1  0.508  0.107  0.428  1.0
  O  O20  1  0.744  0.605  0.790  1.0
  O  O21  1  0.244  0.895  0.210  1.0
  O  O22  1  0.256  0.105  0.710  1.0
  O  O23  1  0.756  0.395  0.290  1.0
  O  O24  1  0.489  0.448  0.557  1.0
  O  O25  1  0.989  0.052  0.443  1.0
  O  O26  1  0.511  0.948  0.943  1.0
  O  O27  1  0.011  0.552  0.057  1.0
  O  O28  1  0.591  0.795  0.561  1.0
  O  O29  1  0.091  0.705  0.439  1.0
  O  O30  1  0.409  0.295  0.939  1.0
  O  O31  1  0.909  0.205  0.061  1.0
  O  O32  1  0.232  0.347  0.267  1.0
  O  O33  1  0.732  0.153  0.733  1.0
  O  O34  1  0.768  0.847  0.233  1.0
  O  O35  1  0.268  0.653  0.767  1.0
[/CIF]
.