data_Mn4V3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.26
_cell_length_b   10.26
_cell_length_c   10.26
_cell_angle_alpha   163.99
_cell_angle_beta   163.99
_cell_angle_gamma   22.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn4V3
_chemical_formula_sum   'Mn4 V3'
_cell_volume   82.16
_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
  Mn  Mn0  1  0.0  0.0  0.86  1.0
  Mn  Mn1  1  0.0  0.0  0.65  1.0
  Mn  Mn2  1  0.0  0.0  0.47  1.0
  Mn  Mn3  1  0.0  0.0  0.26  1.0
  V  V4  1  0.0  0.0  0.0  1.0
  V  V5  1  0.0  0.0  0.8  1.0
  V  V6  1  0.0  0.0  0.32  1.0

data_Mn4V3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   10.26
_cell_angle_alpha   90.0
_cell_angle_beta   101.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn4V3
_chemical_formula_sum   'Mn8 V6'
_cell_volume   164.32
_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
  Mn  Mn0  2  0.15  0.5  0.65  1.0
  Mn  Mn1  2  0.26  0.0  0.26  1.0
  Mn  Mn2  2  0.36  0.5  0.86  1.0
  Mn  Mn3  2  0.47  0.0  0.47  1.0
  V  V4  2  0.0  0.0  0.0  1.0
  V  V5  2  0.3  0.5  0.8  1.0
  V  V6  2  0.32  0.0  0.32  1.0

Mn Mn Mn Mn V V V
V3Mn4 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two V3Mn4 clusters. There are three inequivalent V sites. In the first V site, V(1) is bonded in a distorted single-bond geometry to one Mn(1) atom. The V(1)-Mn(1) bond length is 1.44 Å. In the second V site, V(2) is bonded in a distorted linear geometry to one Mn(1) and one Mn(2) atom. The V(2)-Mn(1) bond length is 0.58 Å. The V(2)-Mn(2) bond length is 1.55 Å. In the third V site, V(3) is bonded in a distorted linear geometry to one Mn(3) and one Mn(4) atom. The V(3)-Mn(3) bond length is 1.55 Å. The V(3)-Mn(4) bond length is 0.58 Å. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted linear geometry to one V(1) and one V(2) atom. In the second Mn site, Mn(2) is bonded in a distorted linear geometry to one V(2) and one Mn(3) atom. The Mn(2)-Mn(3) bond length is 1.90 Å. In the third Mn site, Mn(3) is bonded in a distorted linear geometry to one V(3) and one Mn(2) atom. In the fourth Mn site, Mn(4) is bonded in a single-bond geometry to one V(3) atom.