The material described by CuZn(GeO3)2 is Esseneite structured and crystallizes in the monoclinic C2/c space group. Cu(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with six equivalent Ge(1)O4 tetrahedra and edges with two equivalent Cu(1)O6 octahedra. Zn(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. Ge(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form GeO4 tetrahedra that share corners with three equivalent Cu(1)O6 octahedra and corners with two equivalent Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-64°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent Ge(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cu(1), one Zn(1), and one Ge(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Cu(1), one Zn(1), and one Ge(1) atom. is represented by the CIF card [CIF]
data_ZnCu(GeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.038
_cell_length_b   7.038
_cell_length_c   5.406
_cell_angle_alpha   74.811
_cell_angle_beta   74.811
_cell_angle_gamma   86.092
_symmetry_Int_Tables_number   1
_cell_volume   249.437
_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
  Zn  Zn0  1  0.763  0.237  0.750  1.0
  Zn  Zn1  1  0.237  0.763  0.250  1.0
  Cu  Cu2  1  0.107  0.893  0.750  1.0
  Cu  Cu3  1  0.893  0.107  0.250  1.0
  Ge  Ge4  1  0.209  0.387  0.757  1.0
  Ge  Ge5  1  0.613  0.791  0.743  1.0
  Ge  Ge6  1  0.791  0.613  0.243  1.0
  Ge  Ge7  1  0.387  0.209  0.257  1.0
  O  O8  1  0.404  0.304  0.524  1.0
  O  O9  1  0.696  0.596  0.976  1.0
  O  O10  1  0.596  0.696  0.476  1.0
  O  O11  1  0.304  0.404  0.024  1.0
  O  O12  1  0.623  0.134  0.115  1.0
  O  O13  1  0.866  0.377  0.385  1.0
  O  O14  1  0.377  0.866  0.885  1.0
  O  O15  1  0.134  0.623  0.615  1.0
  O  O16  1  0.021  0.202  0.880  1.0
  O  O17  1  0.798  0.979  0.620  1.0
  O  O18  1  0.979  0.798  0.120  1.0
  O  O19  1  0.202  0.021  0.380  1.0
[/CIF]
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The material described by CuZn(GeO3)2 is Esseneite structured and crystallizes in the monoclinic C2/c space group. Cu(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with six equivalent Ge(1)O4 tetrahedra and edges with two equivalent Cu(1)O6 octahedra. Zn(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. Ge(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form GeO4 tetrahedra that share corners with three equivalent Cu(1)O6 octahedra and corners with two equivalent Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-64°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent Ge(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cu(1), one Zn(1), and one Ge(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Cu(1), one Zn(1), and one Ge(1) atom. is represented by the CIF card [CIF]
data_ZnCu(GeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.038
_cell_length_b   7.038
_cell_length_c   5.406
_cell_angle_alpha   74.811
_cell_angle_beta   74.811
_cell_angle_gamma   86.092
_symmetry_Int_Tables_number   1
_cell_volume   249.437
_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
  Zn  Zn0  1  0.763  0.237  0.750  1.0
  Zn  Zn1  1  0.237  0.763  0.250  1.0
  Cu  Cu2  1  0.107  0.893  0.750  1.0
  Cu  Cu3  1  0.893  0.107  0.250  1.0
  Ge  Ge4  1  0.209  0.387  0.757  1.0
  Ge  Ge5  1  0.613  0.791  0.743  1.0
  Ge  Ge6  1  0.791  0.613  0.243  1.0
  Ge  Ge7  1  0.387  0.209  0.257  1.0
  O  O8  1  0.404  0.304  0.524  1.0
  O  O9  1  0.696  0.596  0.976  1.0
  O  O10  1  0.596  0.696  0.476  1.0
  O  O11  1  0.304  0.404  0.024  1.0
  O  O12  1  0.623  0.134  0.115  1.0
  O  O13  1  0.866  0.377  0.385  1.0
  O  O14  1  0.377  0.866  0.885  1.0
  O  O15  1  0.134  0.623  0.615  1.0
  O  O16  1  0.021  0.202  0.880  1.0
  O  O17  1  0.798  0.979  0.620  1.0
  O  O18  1  0.979  0.798  0.120  1.0
  O  O19  1  0.202  0.021  0.380  1.0
[/CIF]
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