The crystal structure described by VNi3AsO8 crystallizes in the monoclinic C2/m space group. V(1) is bonded to one O(1), one O(4), and two equivalent O(6) atoms to form VO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, and corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra, corners with three equivalent As(1)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. In the second Ni site, Ni(2) is bonded to two equivalent O(1) and four equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with four equivalent As(1)O4 tetrahedra, and edges with four equivalent Ni(1)O6 octahedra. In the third Ni site, Ni(3) is bonded to two equivalent O(2) and four equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent As(1)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra, and edges with four equivalent Ni(1)O6 octahedra. As(1) is bonded to one O(2), one O(3), and two equivalent O(5) atoms to form AsO4 tetrahedra that share  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, and corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-57°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(1), one Ni(2), and two equivalent Ni(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ni(3), two equivalent Ni(1), and one As(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ni(1) and one As(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Ni(1) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one As(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(1), one Ni(1), and one Ni(3) atom. is represented by the CIF card [CIF]
data_VNi3AsO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.474
_cell_length_b   6.474
_cell_length_c   8.308
_cell_angle_alpha   89.958
_cell_angle_beta   89.958
_cell_angle_gamma   55.418
_symmetry_Int_Tables_number   1
_cell_volume   286.681
_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
  V  V0  1  0.623  0.623  0.881  1.0
  V  V1  1  0.377  0.377  0.119  1.0
  Ni  Ni2  1  0.883  0.381  0.253  1.0
  Ni  Ni3  1  0.619  0.117  0.747  1.0
  Ni  Ni4  1  0.117  0.619  0.747  1.0
  Ni  Ni5  1  0.381  0.883  0.253  1.0
  Ni  Ni6  1  0.500  0.500  0.500  1.0
  Ni  Ni7  1  0.000  0.000  0.000  1.0
  As  As8  1  0.876  0.876  0.384  1.0
  As  As9  1  0.124  0.124  0.616  1.0
  O  O10  1  0.503  0.503  0.254  1.0
  O  O11  1  0.497  0.497  0.746  1.0
  O  O12  1  0.002  0.002  0.751  1.0
  O  O13  1  0.998  0.998  0.249  1.0
  O  O14  1  0.752  0.752  0.267  1.0
  O  O15  1  0.248  0.248  0.733  1.0
  O  O16  1  0.752  0.752  0.769  1.0
  O  O17  1  0.248  0.248  0.231  1.0
  O  O18  1  0.883  0.358  0.501  1.0
  O  O19  1  0.642  0.117  0.499  1.0
  O  O20  1  0.146  0.617  0.998  1.0
  O  O21  1  0.383  0.854  0.002  1.0
  O  O22  1  0.117  0.642  0.499  1.0
  O  O23  1  0.358  0.883  0.501  1.0
  O  O24  1  0.854  0.383  0.002  1.0
  O  O25  1  0.617  0.146  0.998  1.0
[/CIF]
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The crystal structure described by VNi3AsO8 crystallizes in the monoclinic C2/m space group. V(1) is bonded to one O(1), one O(4), and two equivalent O(6) atoms to form VO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, and corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra, corners with three equivalent As(1)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. In the second Ni site, Ni(2) is bonded to two equivalent O(1) and four equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with four equivalent As(1)O4 tetrahedra, and edges with four equivalent Ni(1)O6 octahedra. In the third Ni site, Ni(3) is bonded to two equivalent O(2) and four equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent As(1)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra, and edges with four equivalent Ni(1)O6 octahedra. As(1) is bonded to one O(2), one O(3), and two equivalent O(5) atoms to form AsO4 tetrahedra that share  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, and corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-57°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(1), one Ni(2), and two equivalent Ni(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ni(3), two equivalent Ni(1), and one As(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ni(1) and one As(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Ni(1) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one As(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(1), one Ni(1), and one Ni(3) atom. is represented by the CIF card [CIF]
data_VNi3AsO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.474
_cell_length_b   6.474
_cell_length_c   8.308
_cell_angle_alpha   89.958
_cell_angle_beta   89.958
_cell_angle_gamma   55.418
_symmetry_Int_Tables_number   1
_cell_volume   286.681
_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
  V  V0  1  0.623  0.623  0.881  1.0
  V  V1  1  0.377  0.377  0.119  1.0
  Ni  Ni2  1  0.883  0.381  0.253  1.0
  Ni  Ni3  1  0.619  0.117  0.747  1.0
  Ni  Ni4  1  0.117  0.619  0.747  1.0
  Ni  Ni5  1  0.381  0.883  0.253  1.0
  Ni  Ni6  1  0.500  0.500  0.500  1.0
  Ni  Ni7  1  0.000  0.000  0.000  1.0
  As  As8  1  0.876  0.876  0.384  1.0
  As  As9  1  0.124  0.124  0.616  1.0
  O  O10  1  0.503  0.503  0.254  1.0
  O  O11  1  0.497  0.497  0.746  1.0
  O  O12  1  0.002  0.002  0.751  1.0
  O  O13  1  0.998  0.998  0.249  1.0
  O  O14  1  0.752  0.752  0.267  1.0
  O  O15  1  0.248  0.248  0.733  1.0
  O  O16  1  0.752  0.752  0.769  1.0
  O  O17  1  0.248  0.248  0.231  1.0
  O  O18  1  0.883  0.358  0.501  1.0
  O  O19  1  0.642  0.117  0.499  1.0
  O  O20  1  0.146  0.617  0.998  1.0
  O  O21  1  0.383  0.854  0.002  1.0
  O  O22  1  0.117  0.642  0.499  1.0
  O  O23  1  0.358  0.883  0.501  1.0
  O  O24  1  0.854  0.383  0.002  1.0
  O  O25  1  0.617  0.146  0.998  1.0
[/CIF]
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