The compound described by VZnSiO5 crystallizes in the triclinic P-1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with four equivalent Si(1)O4 tetrahedra, corners with two equivalent Zn(1)O4 trigonal pyramids, and edges with two equivalent Zn(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 39°. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Si(1)O4 tetrahedra, and corners with four equivalent Zn(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 39°. Zn(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form distorted ZnO4 trigonal pyramids that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with three equivalent Si(1)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-68°. 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 two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and corners with three equivalent Zn(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 29-59°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(2), one Zn(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(1), one Zn(1), and one Si(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(1), one Zn(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one Si(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one Zn(1) atom. is represented by the CIF card [CIF]
data_VZnSiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.207
_cell_length_b   5.554
_cell_length_c   7.344
_cell_angle_alpha   70.453
_cell_angle_beta   74.066
_cell_angle_gamma   101.204
_symmetry_Int_Tables_number   1
_cell_volume   182.614
_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
  O  O0  1  0.711  0.783  0.868  1.0
  O  O1  1  0.288  0.212  0.134  1.0
  O  O2  1  0.167  0.196  0.575  1.0
  O  O3  1  0.832  0.799  0.427  1.0
  O  O4  1  0.826  0.315  0.338  1.0
  O  O5  1  0.172  0.680  0.664  1.0
  O  O6  1  0.796  0.117  0.071  1.0
  O  O7  1  0.202  0.877  0.931  1.0
  O  O8  1  0.330  0.676  0.271  1.0
  O  O9  1  0.667  0.319  0.731  1.0
  Si  Si10  1  0.058  0.890  0.757  1.0
  Si  Si11  1  0.940  0.105  0.245  1.0
  V  V12  1  1.000  0.498  0.501  1.0
  V  V13  1  0.500  0.998  0.000  1.0
  Zn  Zn14  1  0.503  0.617  0.721  1.0
  Zn  Zn15  1  0.496  0.379  0.281  1.0
[/CIF]
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The compound described by VZnSiO5 crystallizes in the triclinic P-1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with four equivalent Si(1)O4 tetrahedra, corners with two equivalent Zn(1)O4 trigonal pyramids, and edges with two equivalent Zn(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 39°. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Si(1)O4 tetrahedra, and corners with four equivalent Zn(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 39°. Zn(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form distorted ZnO4 trigonal pyramids that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with three equivalent Si(1)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-68°. 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 two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and corners with three equivalent Zn(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 29-59°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(2), one Zn(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(1), one Zn(1), and one Si(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(1), one Zn(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one Si(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one Zn(1) atom. is represented by the CIF card [CIF]
data_VZnSiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.207
_cell_length_b   5.554
_cell_length_c   7.344
_cell_angle_alpha   70.453
_cell_angle_beta   74.066
_cell_angle_gamma   101.204
_symmetry_Int_Tables_number   1
_cell_volume   182.614
_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
  O  O0  1  0.711  0.783  0.868  1.0
  O  O1  1  0.288  0.212  0.134  1.0
  O  O2  1  0.167  0.196  0.575  1.0
  O  O3  1  0.832  0.799  0.427  1.0
  O  O4  1  0.826  0.315  0.338  1.0
  O  O5  1  0.172  0.680  0.664  1.0
  O  O6  1  0.796  0.117  0.071  1.0
  O  O7  1  0.202  0.877  0.931  1.0
  O  O8  1  0.330  0.676  0.271  1.0
  O  O9  1  0.667  0.319  0.731  1.0
  Si  Si10  1  0.058  0.890  0.757  1.0
  Si  Si11  1  0.940  0.105  0.245  1.0
  V  V12  1  1.000  0.498  0.501  1.0
  V  V13  1  0.500  0.998  0.000  1.0
  Zn  Zn14  1  0.503  0.617  0.721  1.0
  Zn  Zn15  1  0.496  0.379  0.281  1.0
[/CIF]
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