data_CaY2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.26
_cell_length_b   11.26
_cell_length_c   11.26
_cell_angle_alpha   17.63
_cell_angle_beta   17.63
_cell_angle_gamma   17.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaY2V
_chemical_formula_sum   'Ca1 Y2 V1'
_cell_volume   114.26
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Y  Y2  1  0.0  0.0  0.84  1.0
  Y  Y3  1  0.0  0.0  0.41  1.0
  V  V1  1  0.0  0.0  0.62  1.0

data_CaY2V
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.98
_cell_length_b   3.45
_cell_length_c   11.26
_cell_angle_alpha   90.0
_cell_angle_beta   100.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaY2V
_chemical_formula_sum   'Ca2 Y4 V2'
_cell_volume   228.53
_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
  Ca  Ca0  2  0.0  0.0  0.0  1.0
  Y  Y1  2  0.0  0.0  0.16  1.0
  Y  Y2  2  0.0  0.0  0.59  1.0
  V  V3  2  -0.0  0.0  0.38  1.0

Ca Y Y V
Ca Y Y V 0 1 o o - 1 3 o o o 2 3 o o o 
CaY2V crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaY2V clusters. Ca(1) is bonded in a single-bond geometry to one Y(1) atom. The Ca(1)-Y(1) bond length is 1.83 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a linear geometry to one Ca(1) and one V(1) atom. The Y(1)-V(1) bond length is 2.40 Å. In the second Y site, Y(2) is bonded in a single-bond geometry to one V(1) atom. The Y(2)-V(1) bond length is 2.40 Å. V(1) is bonded in a linear geometry to one Y(1) and one Y(2) atom.