The compound described by V2FeSn crystallizes in the orthorhombic Amm2 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to four V(2,2); four Fe(1,1); two equivalent Sn(1); and two equivalent Sn(2) atoms to form distorted VV4Fe4Sn4 cuboctahedra that share corners with four equivalent Sn(1)V8Fe4 cuboctahedra, corners with six equivalent V(1)V4Fe4Sn4 cuboctahedra, edges with two equivalent Sn(1)V8Fe4 cuboctahedra, edges with four equivalent Sn(2)V8Fe4 cuboctahedra, faces with two equivalent V(1)V4Fe4Sn4 cuboctahedra, faces with two equivalent Sn(1)V8Fe4 cuboctahedra, and faces with two equivalent Sn(2)V8Fe4 cuboctahedra. In the second V site, V(2) is bonded in a 12-coordinate geometry to two equivalent V(1), two equivalent V(2), two equivalent V(3), two equivalent Fe(1), two equivalent Sn(1), and two equivalent Sn(2) atoms. In the third V site, V(2) is bonded in a 12-coordinate geometry to two equivalent V(1), two equivalent V(2), two equivalent V(3), two equivalent Fe(1), two equivalent Sn(1), and two equivalent Sn(2) atoms. In the fourth V site, V(3) is bonded in a 10-coordinate geometry to four V(2,2); four Fe(1,1); two equivalent Sn(1); and two equivalent Sn(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 12-coordinate geometry to two equivalent V(1), two equivalent V(2), two equivalent V(3), two equivalent Fe(1), two equivalent Sn(1), and two equivalent Sn(2) atoms. In the second Fe site, Fe(1) is bonded in a 12-coordinate geometry to two equivalent V(1), two equivalent V(2), two equivalent V(3), two equivalent Fe(1), two equivalent Sn(1), and two equivalent Sn(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent V(1); two equivalent V(3); four V(2,2); and four Fe(1,1) atoms to form SnV8Fe4 cuboctahedra that share corners with four equivalent V(1)V4Fe4Sn4 cuboctahedra, corners with six equivalent Sn(1)V8Fe4 cuboctahedra, edges with two equivalent V(1)V4Fe4Sn4 cuboctahedra, faces with two equivalent V(1)V4Fe4Sn4 cuboctahedra, faces with two equivalent Sn(1)V8Fe4 cuboctahedra, and faces with six equivalent Sn(2)V8Fe4 cuboctahedra. In the second Sn site, Sn(2) is bonded to two equivalent V(1); two equivalent V(3); four V(2,2); and four Fe(1,1) atoms to form SnV8Fe4 cuboctahedra that share corners with six equivalent Sn(2)V8Fe4 cuboctahedra, edges with four equivalent V(1)V4Fe4Sn4 cuboctahedra, faces with two equivalent V(1)V4Fe4Sn4 cuboctahedra, faces with two equivalent Sn(2)V8Fe4 cuboctahedra, and faces with six equivalent Sn(1)V8Fe4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2FeSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.444
_cell_length_b   5.566
_cell_length_c   5.620
_cell_angle_alpha   120.332
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   119.993
_cell_formula_units_Z   2
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
  V  V0  1  0.750  0.721  0.861  1.0
  V  V1  1  0.250  0.844  0.697  1.0
  V  V2  1  0.250  0.844  0.147  1.0
  V  V3  1  0.250  0.290  0.145  1.0
  Fe  Fe4  1  0.750  0.153  0.300  1.0
  Fe  Fe5  1  0.750  0.153  0.853  1.0
  Sn  Sn6  1  0.750  0.670  0.335  1.0
  Sn  Sn7  1  0.250  0.326  0.663  1.0
[/CIF]
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The compound described by V2FeSn crystallizes in the orthorhombic Amm2 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to four V(2,2); four Fe(1,1); two equivalent Sn(1); and two equivalent Sn(2) atoms to form distorted VV4Fe4Sn4 cuboctahedra that share corners with four equivalent Sn(1)V8Fe4 cuboctahedra, corners with six equivalent V(1)V4Fe4Sn4 cuboctahedra, edges with two equivalent Sn(1)V8Fe4 cuboctahedra, edges with four equivalent Sn(2)V8Fe4 cuboctahedra, faces with two equivalent V(1)V4Fe4Sn4 cuboctahedra, faces with two equivalent Sn(1)V8Fe4 cuboctahedra, and faces with two equivalent Sn(2)V8Fe4 cuboctahedra. In the second V site, V(2) is bonded in a 12-coordinate geometry to two equivalent V(1), two equivalent V(2), two equivalent V(3), two equivalent Fe(1), two equivalent Sn(1), and two equivalent Sn(2) atoms. In the third V site, V(2) is bonded in a 12-coordinate geometry to two equivalent V(1), two equivalent V(2), two equivalent V(3), two equivalent Fe(1), two equivalent Sn(1), and two equivalent Sn(2) atoms. In the fourth V site, V(3) is bonded in a 10-coordinate geometry to four V(2,2); four Fe(1,1); two equivalent Sn(1); and two equivalent Sn(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 12-coordinate geometry to two equivalent V(1), two equivalent V(2), two equivalent V(3), two equivalent Fe(1), two equivalent Sn(1), and two equivalent Sn(2) atoms. In the second Fe site, Fe(1) is bonded in a 12-coordinate geometry to two equivalent V(1), two equivalent V(2), two equivalent V(3), two equivalent Fe(1), two equivalent Sn(1), and two equivalent Sn(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent V(1); two equivalent V(3); four V(2,2); and four Fe(1,1) atoms to form SnV8Fe4 cuboctahedra that share corners with four equivalent V(1)V4Fe4Sn4 cuboctahedra, corners with six equivalent Sn(1)V8Fe4 cuboctahedra, edges with two equivalent V(1)V4Fe4Sn4 cuboctahedra, faces with two equivalent V(1)V4Fe4Sn4 cuboctahedra, faces with two equivalent Sn(1)V8Fe4 cuboctahedra, and faces with six equivalent Sn(2)V8Fe4 cuboctahedra. In the second Sn site, Sn(2) is bonded to two equivalent V(1); two equivalent V(3); four V(2,2); and four Fe(1,1) atoms to form SnV8Fe4 cuboctahedra that share corners with six equivalent Sn(2)V8Fe4 cuboctahedra, edges with four equivalent V(1)V4Fe4Sn4 cuboctahedra, faces with two equivalent V(1)V4Fe4Sn4 cuboctahedra, faces with two equivalent Sn(2)V8Fe4 cuboctahedra, and faces with six equivalent Sn(1)V8Fe4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2FeSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.444
_cell_length_b   5.566
_cell_length_c   5.620
_cell_angle_alpha   120.332
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   119.993
_cell_formula_units_Z   2
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
  V  V0  1  0.750  0.721  0.861  1.0
  V  V1  1  0.250  0.844  0.697  1.0
  V  V2  1  0.250  0.844  0.147  1.0
  V  V3  1  0.250  0.290  0.145  1.0
  Fe  Fe4  1  0.750  0.153  0.300  1.0
  Fe  Fe5  1  0.750  0.153  0.853  1.0
  Sn  Sn6  1  0.750  0.670  0.335  1.0
  Sn  Sn7  1  0.250  0.326  0.663  1.0
[/CIF]
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