data_YTiV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   7.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTiV2
_chemical_formula_sum   'Y1 Ti1 V2'
_cell_volume   73.53
_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  0.44  1.0
  Ti  Ti0  1  0.0  0.0  0.76  1.0
  V  V1  1  0.61  0.61  0.14  1.0
  V  V2  1  0.0  0.0  0.33  1.0

data_YTiV2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   7.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTiV2
_chemical_formula_sum   'Y2 Ti2 V4'
_cell_volume   147.05
_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  0.44  1.0
  Ti  Ti1  2  0.0  0.0  0.76  1.0
  V  V2  2  0.0  0.0  0.33  1.0
  V  V3  2  0.11  0.5  0.14  1.0

Y Ti V V
YTiV2 crystallizes in the monoclinic Cm space group. Y(1) is bonded in a 4-coordinate geometry to four equivalent Ti(1), one V(1), and three equivalent V(2) atoms. There are a spread of Y(1)-Ti(1) bond distances ranging from 2.85-3.54 Å. The Y(1)-V(1) bond length is 2.14 Å. There is one shorter (1.95 Å) and two longer (2.45 Å) Y(1)-V(2) bond lengths. Ti(1) is bonded in a 12-coordinate geometry to four equivalent Y(1), four equivalent Ti(1), one V(2), and three equivalent V(1) atoms. All Ti(1)-Ti(1) bond lengths are 3.21 Å. The Ti(1)-V(2) bond length is 2.99 Å. There is one shorter (3.28 Å) and two longer (3.60 Å) Ti(1)-V(1) bond lengths. There are two inequivalent V sites. In the first V site, V(1) is bonded in a distorted single-bond geometry to one Y(1) and three equivalent Ti(1) atoms. In the second V site, V(2) is bonded in a 1-coordinate geometry to three equivalent Y(1) and one Ti(1) atom.