data_BaSr2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   10.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSr2V
_chemical_formula_sum   'Ba1 Sr2 V1'
_cell_volume   179.55
_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  0.34  1.0
  Sr  Sr1  1  0.05  0.05  0.73  1.0
  Sr  Sr2  1  0.05  0.05  0.95  1.0
  V  V3  1  0.0  0.0  0.0  1.0

data_BaSr2V
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   10.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaSr2V
_chemical_formula_sum   'Ba2 Sr4 V2'
_cell_volume   359.1
_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  0.34  1.0
  Sr  Sr1  2  0.05  0.0  0.73  1.0
  Sr  Sr2  2  0.05  0.0  0.95  1.0
  V  V3  2  0.0  0.0  0.0  1.0

Ba Sr Sr V
BaSr2V crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a distorted single-bond geometry to one Sr(1) and one V(1) atom. The Ba(1)-Sr(1) bond length is 4.18 Å. The Ba(1)-V(1) bond length is 3.62 Å. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one Ba(1), one Sr(2), and four equivalent Sr(1) atoms to form a mixture of distorted corner and edge-sharing SrBaSr5 octahedra. The corner-sharing octahedra are not tilted. The Sr(1)-Sr(2) bond length is 2.34 Å. All Sr(1)-Sr(1) bond lengths are 4.10 Å. In the second Sr site, Sr(2) is bonded in a single-bond geometry to one Sr(1) and one V(1) atom. The Sr(2)-V(1) bond length is 0.62 Å. V(1) is bonded in a single-bond geometry to one Ba(1) and one Sr(2) atom.