data_YMg2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   8.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg2V
_chemical_formula_sum   'Y1 Mg2 V1'
_cell_volume   88.48
_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
  Y  Y3  1  0.61  0.61  0.12  1.0
  Mg  Mg0  1  0.0  0.0  0.22  1.0
  Mg  Mg1  1  0.61  0.61  0.32  1.0
  V  V2  1  0.0  0.0  0.07  1.0

data_YMg2V
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   8.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YMg2V
_chemical_formula_sum   'Y2 Mg4 V2'
_cell_volume   176.96
_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
  Y  Y0  2  0.11  0.5  0.12  1.0
  Mg  Mg1  2  0.0  0.0  0.22  1.0
  Mg  Mg2  2  0.11  0.5  0.32  1.0
  V  V3  2  0.0  0.0  0.07  1.0

Y Mg Mg V
Y Mg Mg V 0 3 + + o 0 1 + + o 0 2 o o o 1 3 o o o 1 2 - - o 
Mg2YV crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Mg2YV clusters. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a single-bond geometry to one V(1) atom. The Mg(1)-V(1) bond length is 1.26 Å. In the second Mg site, Mg(2) is bonded in a distorted single-bond geometry to one Y(1) atom. The Mg(2)-Y(1) bond length is 1.72 Å. Y(1) is bonded in a 2-coordinate geometry to one Mg(2) and one V(1) atom. The Y(1)-V(1) bond length is 1.81 Å. V(1) is bonded in a distorted single-bond geometry to one Mg(1) and one Y(1) atom.