The material described by Ta2Sn3 crystallizes in the orthorhombic F222 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 8-coordinate geometry to two equivalent Ta(2), two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. In the second Ta site, Ta(2) is bonded in a 8-coordinate geometry to two equivalent Ta(1), two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 4-coordinate geometry to two equivalent Ta(1) and two equivalent Ta(2) atoms. In the second Sn site, Sn(2) is bonded in a 7-coordinate geometry to two equivalent Ta(1), two equivalent Ta(2), one Sn(2), and two equivalent Sn(3) atoms. In the third Sn site, Sn(3) is bonded in a distorted hexagonal planar geometry to two equivalent Ta(1), two equivalent Ta(2), and two equivalent Sn(2) atoms. is represented by the CIF card [CIF]
data_Ta2Sn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.195
_cell_length_b   9.349
_cell_length_c   5.730
_cell_angle_alpha   81.249
_cell_angle_beta   65.007
_cell_angle_gamma   33.744
_symmetry_Int_Tables_number   1
_cell_volume   252.537
_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
  Ta  Ta0  1  0.378  0.378  0.622  1.0
  Ta  Ta1  1  0.622  0.622  0.378  1.0
  Ta  Ta2  1  0.892  0.892  0.608  1.0
  Ta  Ta3  1  0.608  0.608  0.892  1.0
  Sn  Sn4  1  0.590  0.910  0.590  1.0
  Sn  Sn5  1  0.910  0.590  0.910  1.0
  Sn  Sn6  1  0.081  0.081  0.919  1.0
  Sn  Sn7  1  0.919  0.919  0.081  1.0
  Sn  Sn8  1  0.126  0.126  0.374  1.0
  Sn  Sn9  1  0.374  0.374  0.126  1.0
[/CIF]
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The material described by Ta2Sn3 crystallizes in the orthorhombic F222 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 8-coordinate geometry to two equivalent Ta(2), two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. In the second Ta site, Ta(2) is bonded in a 8-coordinate geometry to two equivalent Ta(1), two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 4-coordinate geometry to two equivalent Ta(1) and two equivalent Ta(2) atoms. In the second Sn site, Sn(2) is bonded in a 7-coordinate geometry to two equivalent Ta(1), two equivalent Ta(2), one Sn(2), and two equivalent Sn(3) atoms. In the third Sn site, Sn(3) is bonded in a distorted hexagonal planar geometry to two equivalent Ta(1), two equivalent Ta(2), and two equivalent Sn(2) atoms. is represented by the CIF card [CIF]
data_Ta2Sn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.195
_cell_length_b   9.349
_cell_length_c   5.730
_cell_angle_alpha   81.249
_cell_angle_beta   65.007
_cell_angle_gamma   33.744
_symmetry_Int_Tables_number   1
_cell_volume   252.537
_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
  Ta  Ta0  1  0.378  0.378  0.622  1.0
  Ta  Ta1  1  0.622  0.622  0.378  1.0
  Ta  Ta2  1  0.892  0.892  0.608  1.0
  Ta  Ta3  1  0.608  0.608  0.892  1.0
  Sn  Sn4  1  0.590  0.910  0.590  1.0
  Sn  Sn5  1  0.910  0.590  0.910  1.0
  Sn  Sn6  1  0.081  0.081  0.919  1.0
  Sn  Sn7  1  0.919  0.919  0.081  1.0
  Sn  Sn8  1  0.126  0.126  0.374  1.0
  Sn  Sn9  1  0.374  0.374  0.126  1.0
[/CIF]
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