The crystal structure described by V3NiP2 crystallizes in the monoclinic Pm space group. There are nine inequivalent V sites. In the first V site, V(1) is bonded to one P(2), one P(4), and two equivalent P(5) atoms to form a mixture of distorted edge and corner-sharing VP4 tetrahedra. In the second V site, V(2) is bonded to one P(1), one P(3), and two equivalent P(5) atoms to form a mixture of distorted edge and corner-sharing VP4 tetrahedra. In the third V site, V(3) is bonded in a 4-coordinate geometry to one P(2), one P(4), and two equivalent P(6) atoms. In the fourth V site, V(4) is bonded in a 7-coordinate geometry to two equivalent Ni(1), one P(5), two equivalent P(2), and two equivalent P(3) atoms. In the fifth V site, V(5) is bonded in a 5-coordinate geometry to one P(6), two equivalent P(1), and two equivalent P(4) atoms. In the sixth V site, V(6) is bonded in a 5-coordinate geometry to one P(5), two equivalent P(1), and two equivalent P(3) atoms. In the seventh V site, V(7) is bonded in a 5-coordinate geometry to one P(6), two equivalent P(2), and two equivalent P(4) atoms. In the eighth V site, V(8) is bonded in a 5-coordinate geometry to one P(6), two equivalent P(1), and two equivalent P(3) atoms. In the ninth V site, V(9) is bonded in a 5-coordinate geometry to one P(5), two equivalent P(2), and two equivalent P(4) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to two equivalent V(4), one P(2), one P(3), and two equivalent P(5) atoms. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to one P(1), one P(4), and two equivalent P(6) atoms. In the third Ni site, Ni(3) is bonded in a 4-coordinate geometry to one P(1), one P(3), and two equivalent P(6) atoms. There are six inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one V(2), two equivalent V(5), two equivalent V(6), two equivalent V(8), one Ni(2), and one Ni(3) atom. In the second P site, P(2) is bonded in a 9-coordinate geometry to one V(1), one V(3), two equivalent V(4), two equivalent V(7), two equivalent V(9), and one Ni(1) atom. In the third P site, P(3) is bonded in a 9-coordinate geometry to one V(2), two equivalent V(4), two equivalent V(6), two equivalent V(8), one Ni(1), and one Ni(3) atom. In the fourth P site, P(4) is bonded in a 9-coordinate geometry to one V(1), one V(3), two equivalent V(5), two equivalent V(7), two equivalent V(9), and one Ni(2) atom. In the fifth P site, P(5) is bonded in a 9-coordinate geometry to one V(4), one V(6), one V(9), two equivalent V(1), two equivalent V(2), and two equivalent Ni(1) atoms. In the sixth P site, P(6) is bonded in a 9-coordinate geometry to one V(5), one V(7), one V(8), two equivalent V(3), two equivalent Ni(2), and two equivalent Ni(3) atoms. is represented by the CIF card [CIF]
data_V3NiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.325
_cell_length_b   6.141
_cell_length_c   10.683
_cell_angle_alpha   89.712
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   218.119
_cell_formula_units_Z   3
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  0.000  0.871  0.873  1.0
  V  V1  1  0.000  0.873  0.129  1.0
  V  V2  1  0.000  0.375  0.622  1.0
  V  V3  1  0.500  0.602  0.003  1.0
  V  V4  1  0.500  0.105  0.502  1.0
  V  V5  1  0.500  0.193  0.208  1.0
  V  V6  1  0.500  0.695  0.707  1.0
  V  V7  1  0.500  0.705  0.293  1.0
  V  V8  1  0.500  0.197  0.787  1.0
  Ni  Ni9  1  0.000  0.257  0.001  1.0
  Ni  Ni10  1  0.000  0.760  0.502  1.0
  Ni  Ni11  1  0.000  0.366  0.373  1.0
  P  P12  1  0.000  0.998  0.340  1.0
  P  P13  1  0.000  0.492  0.838  1.0
  P  P14  1  0.000  0.490  0.170  1.0
  P  P15  1  0.000  0.993  0.663  1.0
  P  P16  1  0.500  0.017  0.001  1.0
  P  P17  1  0.500  0.512  0.488  1.0
[/CIF]
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The crystal structure described by V3NiP2 crystallizes in the monoclinic Pm space group. There are nine inequivalent V sites. In the first V site, V(1) is bonded to one P(2), one P(4), and two equivalent P(5) atoms to form a mixture of distorted edge and corner-sharing VP4 tetrahedra. In the second V site, V(2) is bonded to one P(1), one P(3), and two equivalent P(5) atoms to form a mixture of distorted edge and corner-sharing VP4 tetrahedra. In the third V site, V(3) is bonded in a 4-coordinate geometry to one P(2), one P(4), and two equivalent P(6) atoms. In the fourth V site, V(4) is bonded in a 7-coordinate geometry to two equivalent Ni(1), one P(5), two equivalent P(2), and two equivalent P(3) atoms. In the fifth V site, V(5) is bonded in a 5-coordinate geometry to one P(6), two equivalent P(1), and two equivalent P(4) atoms. In the sixth V site, V(6) is bonded in a 5-coordinate geometry to one P(5), two equivalent P(1), and two equivalent P(3) atoms. In the seventh V site, V(7) is bonded in a 5-coordinate geometry to one P(6), two equivalent P(2), and two equivalent P(4) atoms. In the eighth V site, V(8) is bonded in a 5-coordinate geometry to one P(6), two equivalent P(1), and two equivalent P(3) atoms. In the ninth V site, V(9) is bonded in a 5-coordinate geometry to one P(5), two equivalent P(2), and two equivalent P(4) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to two equivalent V(4), one P(2), one P(3), and two equivalent P(5) atoms. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to one P(1), one P(4), and two equivalent P(6) atoms. In the third Ni site, Ni(3) is bonded in a 4-coordinate geometry to one P(1), one P(3), and two equivalent P(6) atoms. There are six inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one V(2), two equivalent V(5), two equivalent V(6), two equivalent V(8), one Ni(2), and one Ni(3) atom. In the second P site, P(2) is bonded in a 9-coordinate geometry to one V(1), one V(3), two equivalent V(4), two equivalent V(7), two equivalent V(9), and one Ni(1) atom. In the third P site, P(3) is bonded in a 9-coordinate geometry to one V(2), two equivalent V(4), two equivalent V(6), two equivalent V(8), one Ni(1), and one Ni(3) atom. In the fourth P site, P(4) is bonded in a 9-coordinate geometry to one V(1), one V(3), two equivalent V(5), two equivalent V(7), two equivalent V(9), and one Ni(2) atom. In the fifth P site, P(5) is bonded in a 9-coordinate geometry to one V(4), one V(6), one V(9), two equivalent V(1), two equivalent V(2), and two equivalent Ni(1) atoms. In the sixth P site, P(6) is bonded in a 9-coordinate geometry to one V(5), one V(7), one V(8), two equivalent V(3), two equivalent Ni(2), and two equivalent Ni(3) atoms. is represented by the CIF card [CIF]
data_V3NiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.325
_cell_length_b   6.141
_cell_length_c   10.683
_cell_angle_alpha   89.712
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   218.119
_cell_formula_units_Z   3
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  0.000  0.871  0.873  1.0
  V  V1  1  0.000  0.873  0.129  1.0
  V  V2  1  0.000  0.375  0.622  1.0
  V  V3  1  0.500  0.602  0.003  1.0
  V  V4  1  0.500  0.105  0.502  1.0
  V  V5  1  0.500  0.193  0.208  1.0
  V  V6  1  0.500  0.695  0.707  1.0
  V  V7  1  0.500  0.705  0.293  1.0
  V  V8  1  0.500  0.197  0.787  1.0
  Ni  Ni9  1  0.000  0.257  0.001  1.0
  Ni  Ni10  1  0.000  0.760  0.502  1.0
  Ni  Ni11  1  0.000  0.366  0.373  1.0
  P  P12  1  0.000  0.998  0.340  1.0
  P  P13  1  0.000  0.492  0.838  1.0
  P  P14  1  0.000  0.490  0.170  1.0
  P  P15  1  0.000  0.993  0.663  1.0
  P  P16  1  0.500  0.017  0.001  1.0
  P  P17  1  0.500  0.512  0.488  1.0
[/CIF]
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