data_BaMgV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.94
_cell_length_b   10.94
_cell_length_c   10.94
_cell_angle_alpha   16.5
_cell_angle_beta   16.5
_cell_angle_gamma   16.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMgV2
_chemical_formula_sum   'Ba1 Mg1 V2'
_cell_volume   92.18
_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
  Ba  Ba0  1  0.0  0.0  0.19  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.0  0.0  0.93  1.0
  V  V3  1  0.0  0.0  0.44  1.0

data_BaMgV2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.44
_cell_length_b   3.14
_cell_length_c   10.94
_cell_angle_alpha   90.0
_cell_angle_beta   99.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaMgV2
_chemical_formula_sum   'Ba2 Mg2 V4'
_cell_volume   184.35
_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
  Ba  Ba0  2  0.0  0.0  0.81  1.0
  Mg  Mg1  2  0.0  0.0  0.0  1.0
  V  V2  2  0.0  0.0  0.07  1.0
  V  V3  2  0.0  0.0  0.56  1.0

Ba Mg V V
BaMgV2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BaMgV2 clusters. Ba(1) is bonded in a distorted linear geometry to one Mg(1) and one V(2) atom. The Ba(1)-Mg(1) bond length is 2.06 Å. The Ba(1)-V(2) bond length is 2.81 Å. Mg(1) is bonded in a distorted single-bond geometry to one Ba(1) and one V(1) atom. The Mg(1)-V(1) bond length is 0.75 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a single-bond geometry to one Mg(1) atom. In the second V site, V(2) is bonded in a single-bond geometry to one Ba(1) atom.