data_MgVP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   3.54
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgVP2
_chemical_formula_sum   'Mg1 V1 P2'
_cell_volume   64.04
_cell_formula_units_Z   1
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
  Mg  Mg0  1  0.0  0.0  0.32  1.0
  V  V3  1  0.77  0.77  0.1  1.0
  P  P1  1  0.77  0.77  0.55  1.0
  P  P2  1  0.0  0.0  0.81  1.0

data_MgVP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgVP2
_chemical_formula_sum   'Mg2 V2 P4'
_cell_volume   128.08
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Mg  Mg0  2  0.0  0.0  0.32  1.0
  V  V1  2  0.27  0.5  0.1  1.0
  P  P2  2  0.0  0.0  0.81  1.0
  P  P3  2  0.27  0.5  0.55  1.0

Mg V P P
MgVP2 is alpha Niobium phosphide-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MgVP2 clusters. Mg(1) is bonded in a distorted L-shaped geometry to one V(1) and one P(1) atom. The Mg(1)-V(1) bond length is 1.64 Å. The Mg(1)-P(1) bond length is 1.63 Å. V(1) is bonded in a distorted water-like geometry to one Mg(1) and one P(2) atom. The V(1)-P(2) bond length is 1.88 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a distorted single-bond geometry to one Mg(1) atom. In the second P site, P(2) is bonded in a 1-coordinate geometry to one V(1) atom.