data_ScV2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   5.15
_cell_angle_alpha   93.21
_cell_angle_beta   93.21
_cell_angle_gamma   31.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScV2Cr
_chemical_formula_sum   'Sc1 V2 Cr1'
_cell_volume   59.43
_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
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.28  0.0  0.38  1.0
  V  V3  1  0.44  0.0  0.76  1.0
  Cr  Cr0  1  0.36  0.0  0.57  1.0

data_ScV2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.57
_cell_length_b   4.69
_cell_length_c   5.15
_cell_angle_alpha   93.21
_cell_angle_beta   90.0
_cell_angle_gamma   105.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScV2Cr
_chemical_formula_sum   'Sc1 V2 Cr1'
_cell_volume   59.43
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.0  0.56  0.24  1.0
  V  V2  1  0.0  0.72  0.62  1.0
  Cr  Cr3  1  0.0  0.64  0.43  1.0

Sc V V Cr
ScV2Cr crystallizes in the triclinic P1 space group. Sc(1) is bonded in a 5-coordinate geometry to two equivalent Sc(1), one V(1), and two equivalent V(2) atoms. Both Sc(1)-Sc(1) bond lengths are 2.57 Å. The Sc(1)-V(1) bond length is 2.27 Å. There is one shorter (2.45 Å) and one longer (2.84 Å) Sc(1)-V(2) bond length. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 2-coordinate geometry to one Sc(1) and one Cr(1) atom. The V(1)-Cr(1) bond length is 1.04 Å. In the second V site, V(2) is bonded in a distorted single-bond geometry to two equivalent Sc(1) and one Cr(1) atom. The V(2)-Cr(1) bond length is 1.04 Å. Cr(1) is bonded in a linear geometry to one V(1) and one V(2) atom.