The crystal structure described by CsH(ZnPO4)2 crystallizes in the orthorhombic Cmce space group. Cs(1) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(2) atoms. Zn(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Zn(1)O4 tetrahedra. H(1) is bonded in a linear geometry to two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one P(1), and one H(1) atom. In the second O site, O(1) is bonded in a trigonal planar geometry to two equivalent Zn(1) and one P(1) atom. In the third O site, O(2) is bonded in a 2-coordinate geometry to one Cs(1), one Zn(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsZn2P2HO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.610
_cell_length_b   8.610
_cell_length_c   7.802
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   135.271
_symmetry_Int_Tables_number   1
_cell_volume   406.999
_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
  Cs  Cs0  1  0.500  0.500  0.500  1.0
  Cs  Cs1  1  0.000  0.000  0.000  1.0
  Zn  Zn2  1  0.482  0.018  0.750  1.0
  Zn  Zn3  1  0.018  0.482  0.250  1.0
  Zn  Zn4  1  0.518  0.982  0.250  1.0
  Zn  Zn5  1  0.982  0.518  0.750  1.0
  P  P6  1  0.142  0.858  0.458  1.0
  P  P7  1  0.858  0.142  0.542  1.0
  P  P8  1  0.358  0.642  0.958  1.0
  P  P9  1  0.642  0.358  0.042  1.0
  H  H10  1  0.000  0.000  0.500  1.0
  H  H11  1  0.500  0.500  0.000  1.0
  O  O12  1  0.203  0.797  0.298  1.0
  O  O13  1  0.797  0.203  0.702  1.0
  O  O14  1  0.297  0.703  0.798  1.0
  O  O15  1  0.703  0.297  0.202  1.0
  O  O16  1  0.963  0.647  0.560  1.0
  O  O17  1  0.647  0.963  0.440  1.0
  O  O18  1  0.147  0.463  0.060  1.0
  O  O19  1  0.463  0.147  0.940  1.0
  O  O20  1  0.037  0.353  0.440  1.0
  O  O21  1  0.353  0.037  0.560  1.0
  O  O22  1  0.853  0.537  0.940  1.0
  O  O23  1  0.537  0.853  0.060  1.0
  O  O24  1  0.052  0.948  0.388  1.0
  O  O25  1  0.948  0.052  0.612  1.0
  O  O26  1  0.448  0.552  0.888  1.0
  O  O27  1  0.552  0.448  0.112  1.0
[/CIF]
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The crystal structure described by CsH(ZnPO4)2 crystallizes in the orthorhombic Cmce space group. Cs(1) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(2) atoms. Zn(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Zn(1)O4 tetrahedra. H(1) is bonded in a linear geometry to two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one P(1), and one H(1) atom. In the second O site, O(1) is bonded in a trigonal planar geometry to two equivalent Zn(1) and one P(1) atom. In the third O site, O(2) is bonded in a 2-coordinate geometry to one Cs(1), one Zn(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsZn2P2HO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.610
_cell_length_b   8.610
_cell_length_c   7.802
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   135.271
_symmetry_Int_Tables_number   1
_cell_volume   406.999
_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
  Cs  Cs0  1  0.500  0.500  0.500  1.0
  Cs  Cs1  1  0.000  0.000  0.000  1.0
  Zn  Zn2  1  0.482  0.018  0.750  1.0
  Zn  Zn3  1  0.018  0.482  0.250  1.0
  Zn  Zn4  1  0.518  0.982  0.250  1.0
  Zn  Zn5  1  0.982  0.518  0.750  1.0
  P  P6  1  0.142  0.858  0.458  1.0
  P  P7  1  0.858  0.142  0.542  1.0
  P  P8  1  0.358  0.642  0.958  1.0
  P  P9  1  0.642  0.358  0.042  1.0
  H  H10  1  0.000  0.000  0.500  1.0
  H  H11  1  0.500  0.500  0.000  1.0
  O  O12  1  0.203  0.797  0.298  1.0
  O  O13  1  0.797  0.203  0.702  1.0
  O  O14  1  0.297  0.703  0.798  1.0
  O  O15  1  0.703  0.297  0.202  1.0
  O  O16  1  0.963  0.647  0.560  1.0
  O  O17  1  0.647  0.963  0.440  1.0
  O  O18  1  0.147  0.463  0.060  1.0
  O  O19  1  0.463  0.147  0.940  1.0
  O  O20  1  0.037  0.353  0.440  1.0
  O  O21  1  0.353  0.037  0.560  1.0
  O  O22  1  0.853  0.537  0.940  1.0
  O  O23  1  0.537  0.853  0.060  1.0
  O  O24  1  0.052  0.948  0.388  1.0
  O  O25  1  0.948  0.052  0.612  1.0
  O  O26  1  0.448  0.552  0.888  1.0
  O  O27  1  0.552  0.448  0.112  1.0
[/CIF]
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