The material structure described by CaZn2(H5O4)2 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CaO6 octahedra that share corners with four equivalent Zn(1)O4 tetrahedra. Zn(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with two equivalent Ca(1)O6 octahedra and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-58°. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(4) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to one Ca(1), one Zn(1), and one H(3) atom. In the second O site, O(4) is bonded in a distorted water-like geometry to one Ca(1), one H(4), and one H(5) atom. In the third O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Zn(1) and one H(1) atom. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to one Ca(1), one Zn(1), and one H(2) atom. is represented by the CIF card [CIF]
data_CaZn2(H5O4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.075
_cell_length_b   5.967
_cell_length_c   6.488
_cell_angle_alpha   77.622
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   418.766
_cell_formula_units_Z   2
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  0.500  0.500  0.000  1.0
  Ca  Ca1  1  0.000  0.000  0.000  1.0
  Zn  Zn2  1  0.667  0.343  0.531  1.0
  Zn  Zn3  1  0.167  0.157  0.469  1.0
  Zn  Zn4  1  0.333  0.657  0.469  1.0
  Zn  Zn5  1  0.833  0.843  0.531  1.0
  H  H6  1  0.610  0.732  0.530  1.0
  H  H7  1  0.110  0.768  0.470  1.0
  H  H8  1  0.390  0.268  0.470  1.0
  H  H9  1  0.890  0.232  0.530  1.0
  H  H10  1  0.554  0.112  0.324  1.0
  H  H11  1  0.054  0.388  0.676  1.0
  H  H12  1  0.446  0.888  0.676  1.0
  H  H13  1  0.946  0.612  0.324  1.0
  H  H14  1  0.612  0.109  0.881  1.0
  H  H15  1  0.112  0.391  0.119  1.0
  H  H16  1  0.388  0.891  0.119  1.0
  H  H17  1  0.888  0.609  0.881  1.0
  H  H18  1  0.669  0.749  0.191  1.0
  H  H19  1  0.169  0.751  0.809  1.0
  H  H20  1  0.331  0.251  0.809  1.0
  H  H21  1  0.831  0.249  0.191  1.0
  H  H22  1  0.737  0.765  0.966  1.0
  H  H23  1  0.237  0.735  0.034  1.0
  H  H24  1  0.263  0.235  0.034  1.0
  H  H25  1  0.763  0.265  0.966  1.0
  O  O26  1  0.683  0.690  0.458  1.0
  O  O27  1  0.183  0.810  0.542  1.0
  O  O28  1  0.317  0.310  0.542  1.0
  O  O29  1  0.817  0.190  0.458  1.0
  O  O30  1  0.539  0.268  0.342  1.0
  O  O31  1  0.039  0.232  0.658  1.0
  O  O32  1  0.461  0.732  0.658  1.0
  O  O33  1  0.961  0.768  0.342  1.0
  O  O34  1  0.629  0.274  0.834  1.0
  O  O35  1  0.129  0.226  0.166  1.0
  O  O36  1  0.371  0.726  0.166  1.0
  O  O37  1  0.871  0.774  0.834  1.0
  O  O38  1  0.655  0.767  0.035  1.0
  O  O39  1  0.155  0.733  0.965  1.0
  O  O40  1  0.345  0.233  0.965  1.0
  O  O41  1  0.845  0.267  0.035  1.0
[/CIF]
.
The material structure described by CaZn2(H5O4)2 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CaO6 octahedra that share corners with four equivalent Zn(1)O4 tetrahedra. Zn(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with two equivalent Ca(1)O6 octahedra and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-58°. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(4) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to one Ca(1), one Zn(1), and one H(3) atom. In the second O site, O(4) is bonded in a distorted water-like geometry to one Ca(1), one H(4), and one H(5) atom. In the third O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Zn(1) and one H(1) atom. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to one Ca(1), one Zn(1), and one H(2) atom. is represented by the CIF card [CIF]
data_CaZn2(H5O4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.075
_cell_length_b   5.967
_cell_length_c   6.488
_cell_angle_alpha   77.622
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   418.766
_cell_formula_units_Z   2
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  0.500  0.500  0.000  1.0
  Ca  Ca1  1  0.000  0.000  0.000  1.0
  Zn  Zn2  1  0.667  0.343  0.531  1.0
  Zn  Zn3  1  0.167  0.157  0.469  1.0
  Zn  Zn4  1  0.333  0.657  0.469  1.0
  Zn  Zn5  1  0.833  0.843  0.531  1.0
  H  H6  1  0.610  0.732  0.530  1.0
  H  H7  1  0.110  0.768  0.470  1.0
  H  H8  1  0.390  0.268  0.470  1.0
  H  H9  1  0.890  0.232  0.530  1.0
  H  H10  1  0.554  0.112  0.324  1.0
  H  H11  1  0.054  0.388  0.676  1.0
  H  H12  1  0.446  0.888  0.676  1.0
  H  H13  1  0.946  0.612  0.324  1.0
  H  H14  1  0.612  0.109  0.881  1.0
  H  H15  1  0.112  0.391  0.119  1.0
  H  H16  1  0.388  0.891  0.119  1.0
  H  H17  1  0.888  0.609  0.881  1.0
  H  H18  1  0.669  0.749  0.191  1.0
  H  H19  1  0.169  0.751  0.809  1.0
  H  H20  1  0.331  0.251  0.809  1.0
  H  H21  1  0.831  0.249  0.191  1.0
  H  H22  1  0.737  0.765  0.966  1.0
  H  H23  1  0.237  0.735  0.034  1.0
  H  H24  1  0.263  0.235  0.034  1.0
  H  H25  1  0.763  0.265  0.966  1.0
  O  O26  1  0.683  0.690  0.458  1.0
  O  O27  1  0.183  0.810  0.542  1.0
  O  O28  1  0.317  0.310  0.542  1.0
  O  O29  1  0.817  0.190  0.458  1.0
  O  O30  1  0.539  0.268  0.342  1.0
  O  O31  1  0.039  0.232  0.658  1.0
  O  O32  1  0.461  0.732  0.658  1.0
  O  O33  1  0.961  0.768  0.342  1.0
  O  O34  1  0.629  0.274  0.834  1.0
  O  O35  1  0.129  0.226  0.166  1.0
  O  O36  1  0.371  0.726  0.166  1.0
  O  O37  1  0.871  0.774  0.834  1.0
  O  O38  1  0.655  0.767  0.035  1.0
  O  O39  1  0.155  0.733  0.965  1.0
  O  O40  1  0.345  0.233  0.965  1.0
  O  O41  1  0.845  0.267  0.035  1.0
[/CIF]
.