The material structure described by CaZn2Si2HO7 crystallizes in the orthorhombic Ama2 space group. Ca(1) is bonded to one H(1), one O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted CaHO5 octahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, and corners with six equivalent Si(1)O4 tetrahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form ZnO4 tetrahedra that share corners with two equivalent Ca(1)HO5 octahedra, corners with two equivalent Zn(2)O4 tetrahedra, and corners with four equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 67°. In the second Zn site, Zn(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with two equivalent Ca(1)HO5 octahedra, corners with two equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 68°. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with three equivalent Ca(1)HO5 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, and corners with two equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-62°. H(1) is bonded in a single-bond geometry to one Ca(1) atom. There are four inequivalent O sites. In the first O site, O(4) is bonded in a distorted trigonal planar geometry to one Ca(1), one Zn(1), and one Si(1) atom. In the second O site, O(1) is bonded in a trigonal planar geometry to one Ca(1) and two equivalent Si(1) atoms. In the third O site, O(2) is bonded in a trigonal planar geometry to one Zn(1), one Zn(2), and one Si(1) atom. In the fourth O site, O(3) is bonded in a trigonal planar geometry to one Ca(1), one Zn(2), and one Si(1) atom. is represented by the CIF file [CIF]
data_CaZn2Si2HO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.357
_cell_length_b   5.357
_cell_length_c   12.656
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   108.483
_symmetry_Int_Tables_number   1
_cell_volume   344.442
_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  0.147  0.343  0.750  1.0
  Ca  Ca1  1  0.657  0.853  0.250  1.0
  Zn  Zn2  1  0.501  0.499  0.000  1.0
  Zn  Zn3  1  0.501  0.499  0.500  1.0
  Zn  Zn4  1  0.003  0.997  0.000  1.0
  Zn  Zn5  1  0.003  0.997  0.500  1.0
  Si  Si6  1  0.512  0.981  0.868  1.0
  Si  Si7  1  0.019  0.488  0.132  1.0
  Si  Si8  1  0.019  0.488  0.368  1.0
  Si  Si9  1  0.512  0.981  0.632  1.0
  H  H10  1  0.884  0.666  0.750  1.0
  H  H11  1  0.334  0.116  0.250  1.0
  O  O12  1  0.423  0.075  0.750  1.0
  O  O13  1  0.925  0.577  0.250  1.0
  O  O14  1  0.376  0.126  0.955  1.0
  O  O15  1  0.874  0.624  0.045  1.0
  O  O16  1  0.874  0.624  0.455  1.0
  O  O17  1  0.376  0.126  0.545  1.0
  O  O18  1  0.832  0.090  0.874  1.0
  O  O19  1  0.910  0.168  0.126  1.0
  O  O20  1  0.910  0.168  0.374  1.0
  O  O21  1  0.832  0.090  0.626  1.0
  O  O22  1  0.390  0.661  0.875  1.0
  O  O23  1  0.339  0.610  0.125  1.0
  O  O24  1  0.339  0.610  0.375  1.0
  O  O25  1  0.390  0.661  0.625  1.0
[/CIF]
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The material structure described by CaZn2Si2HO7 crystallizes in the orthorhombic Ama2 space group. Ca(1) is bonded to one H(1), one O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted CaHO5 octahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, and corners with six equivalent Si(1)O4 tetrahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form ZnO4 tetrahedra that share corners with two equivalent Ca(1)HO5 octahedra, corners with two equivalent Zn(2)O4 tetrahedra, and corners with four equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 67°. In the second Zn site, Zn(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with two equivalent Ca(1)HO5 octahedra, corners with two equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 68°. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with three equivalent Ca(1)HO5 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, and corners with two equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-62°. H(1) is bonded in a single-bond geometry to one Ca(1) atom. There are four inequivalent O sites. In the first O site, O(4) is bonded in a distorted trigonal planar geometry to one Ca(1), one Zn(1), and one Si(1) atom. In the second O site, O(1) is bonded in a trigonal planar geometry to one Ca(1) and two equivalent Si(1) atoms. In the third O site, O(2) is bonded in a trigonal planar geometry to one Zn(1), one Zn(2), and one Si(1) atom. In the fourth O site, O(3) is bonded in a trigonal planar geometry to one Ca(1), one Zn(2), and one Si(1) atom. is represented by the CIF file [CIF]
data_CaZn2Si2HO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.357
_cell_length_b   5.357
_cell_length_c   12.656
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   108.483
_symmetry_Int_Tables_number   1
_cell_volume   344.442
_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  0.147  0.343  0.750  1.0
  Ca  Ca1  1  0.657  0.853  0.250  1.0
  Zn  Zn2  1  0.501  0.499  0.000  1.0
  Zn  Zn3  1  0.501  0.499  0.500  1.0
  Zn  Zn4  1  0.003  0.997  0.000  1.0
  Zn  Zn5  1  0.003  0.997  0.500  1.0
  Si  Si6  1  0.512  0.981  0.868  1.0
  Si  Si7  1  0.019  0.488  0.132  1.0
  Si  Si8  1  0.019  0.488  0.368  1.0
  Si  Si9  1  0.512  0.981  0.632  1.0
  H  H10  1  0.884  0.666  0.750  1.0
  H  H11  1  0.334  0.116  0.250  1.0
  O  O12  1  0.423  0.075  0.750  1.0
  O  O13  1  0.925  0.577  0.250  1.0
  O  O14  1  0.376  0.126  0.955  1.0
  O  O15  1  0.874  0.624  0.045  1.0
  O  O16  1  0.874  0.624  0.455  1.0
  O  O17  1  0.376  0.126  0.545  1.0
  O  O18  1  0.832  0.090  0.874  1.0
  O  O19  1  0.910  0.168  0.126  1.0
  O  O20  1  0.910  0.168  0.374  1.0
  O  O21  1  0.832  0.090  0.626  1.0
  O  O22  1  0.390  0.661  0.875  1.0
  O  O23  1  0.339  0.610  0.125  1.0
  O  O24  1  0.339  0.610  0.375  1.0
  O  O25  1  0.390  0.661  0.625  1.0
[/CIF]
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