data_SrTi2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.78
_cell_length_b   9.78
_cell_length_c   9.78
_cell_angle_alpha   18.83
_cell_angle_beta   18.83
_cell_angle_gamma   18.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTi2V
_chemical_formula_sum   'Sr1 Ti2 V1'
_cell_volume   85.13
_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
  Sr  Sr0  1  0.0  0.0  0.4  1.0
  Ti  Ti1  1  0.0  0.0  0.78  1.0
  Ti  Ti2  1  0.0  0.0  0.03  1.0
  V  V3  1  0.0  0.0  0.0  1.0

data_SrTi2V
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.54
_cell_length_b   3.2
_cell_length_c   9.78
_cell_angle_alpha   90.0
_cell_angle_beta   100.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrTi2V
_chemical_formula_sum   'Sr2 Ti4 V2'
_cell_volume   170.26
_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
  Sr  Sr0  2  0.0  0.0  0.6  1.0
  Ti  Ti1  2  0.0  0.0  0.22  1.0
  Ti  Ti2  2  0.0  0.0  0.97  1.0
  V  V3  2  0.0  0.0  0.0  1.0

Sr Ti Ti V
SrTi2V crystallizes in the monoclinic Cm space group. Sr(1) is bonded to six equivalent Sr(1), one Ti(1), and one Ti(2) atom to form a mixture of distorted corner and edge-sharing SrSr6Ti2 hexagonal bipyramids. All Sr(1)-Sr(1) bond lengths are 3.20 Å. The Sr(1)-Ti(1) bond length is 3.69 Å. The Sr(1)-Ti(2) bond length is 3.69 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted single-bond geometry to one Sr(1) and one V(1) atom. The Ti(1)-V(1) bond length is 2.14 Å. In the second Ti site, Ti(2) is bonded in a single-bond geometry to one Sr(1) and one V(1) atom. The Ti(2)-V(1) bond length is 0.25 Å. V(1) is bonded in a single-bond geometry to one Ti(1) and one Ti(2) atom.