The material structure described by NiZn(GeO3)2 is Esseneite structured and crystallizes in the monoclinic C2/c space group. Ni(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent Ge(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with three equivalent Zn(1)O6 octahedra. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZnO6 octahedra that share corners with eight equivalent Ge(1)O4 tetrahedra and edges with three equivalent Ni(1)O6 octahedra. 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 Ni(1)O6 octahedra, corners with four equivalent Zn(1)O6 octahedra, and corners with two equivalent Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-64°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Zn(1) and two equivalent Ge(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ni(1), one Zn(1), and one Ge(1) atom. In the third O site, O(3) is bonded to two equivalent Ni(1), one Zn(1), and one Ge(1) atom to form a mixture of distorted corner and edge-sharing OZnNi2Ge trigonal pyramids. is represented by the CIF file [CIF]
data_ZnNi(GeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.256
_cell_length_b   6.710
_cell_length_c   6.710
_cell_angle_alpha   85.677
_cell_angle_beta   80.265
_cell_angle_gamma   80.253
_symmetry_Int_Tables_number   1
_cell_volume   229.618
_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  0.750  0.263  0.737  1.0
  Zn  Zn1  1  0.250  0.737  0.263  1.0
  Ni  Ni2  1  0.250  0.093  0.907  1.0
  Ni  Ni3  1  0.750  0.907  0.093  1.0
  Ge  Ge4  1  0.779  0.393  0.207  1.0
  Ge  Ge5  1  0.721  0.793  0.608  1.0
  Ge  Ge6  1  0.221  0.607  0.793  1.0
  Ge  Ge7  1  0.279  0.207  0.393  1.0
  O  O8  1  0.577  0.293  0.425  1.0
  O  O9  1  0.922  0.575  0.707  1.0
  O  O10  1  0.423  0.707  0.574  1.0
  O  O11  1  0.077  0.425  0.293  1.0
  O  O12  1  0.116  0.137  0.629  1.0
  O  O13  1  0.384  0.371  0.863  1.0
  O  O14  1  0.884  0.863  0.371  1.0
  O  O15  1  0.616  0.629  0.137  1.0
  O  O16  1  0.867  0.202  0.028  1.0
  O  O17  1  0.632  0.972  0.798  1.0
  O  O18  1  0.132  0.798  0.972  1.0
  O  O19  1  0.368  0.028  0.202  1.0
[/CIF]
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The material structure described by NiZn(GeO3)2 is Esseneite structured and crystallizes in the monoclinic C2/c space group. Ni(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent Ge(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with three equivalent Zn(1)O6 octahedra. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZnO6 octahedra that share corners with eight equivalent Ge(1)O4 tetrahedra and edges with three equivalent Ni(1)O6 octahedra. 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 Ni(1)O6 octahedra, corners with four equivalent Zn(1)O6 octahedra, and corners with two equivalent Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-64°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Zn(1) and two equivalent Ge(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ni(1), one Zn(1), and one Ge(1) atom. In the third O site, O(3) is bonded to two equivalent Ni(1), one Zn(1), and one Ge(1) atom to form a mixture of distorted corner and edge-sharing OZnNi2Ge trigonal pyramids. is represented by the CIF file [CIF]
data_ZnNi(GeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.256
_cell_length_b   6.710
_cell_length_c   6.710
_cell_angle_alpha   85.677
_cell_angle_beta   80.265
_cell_angle_gamma   80.253
_symmetry_Int_Tables_number   1
_cell_volume   229.618
_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  0.750  0.263  0.737  1.0
  Zn  Zn1  1  0.250  0.737  0.263  1.0
  Ni  Ni2  1  0.250  0.093  0.907  1.0
  Ni  Ni3  1  0.750  0.907  0.093  1.0
  Ge  Ge4  1  0.779  0.393  0.207  1.0
  Ge  Ge5  1  0.721  0.793  0.608  1.0
  Ge  Ge6  1  0.221  0.607  0.793  1.0
  Ge  Ge7  1  0.279  0.207  0.393  1.0
  O  O8  1  0.577  0.293  0.425  1.0
  O  O9  1  0.922  0.575  0.707  1.0
  O  O10  1  0.423  0.707  0.574  1.0
  O  O11  1  0.077  0.425  0.293  1.0
  O  O12  1  0.116  0.137  0.629  1.0
  O  O13  1  0.384  0.371  0.863  1.0
  O  O14  1  0.884  0.863  0.371  1.0
  O  O15  1  0.616  0.629  0.137  1.0
  O  O16  1  0.867  0.202  0.028  1.0
  O  O17  1  0.632  0.972  0.798  1.0
  O  O18  1  0.132  0.798  0.972  1.0
  O  O19  1  0.368  0.028  0.202  1.0
[/CIF]
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