The material structure described by FePtSn crystallizes in the trigonal P3m1 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 3-coordinate geometry to three equivalent Fe(3) and three equivalent Pt(3) atoms. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to three equivalent Fe(4) and three equivalent Pt(4) atoms. In the third Fe site, Fe(3) is bonded in a distorted body-centered cubic geometry to three equivalent Fe(1), one Pt(2), one Pt(3), and three equivalent Sn(2) atoms. In the fourth Fe site, Fe(4) is bonded in a distorted body-centered cubic geometry to three equivalent Fe(2), one Pt(3), one Pt(4), and three equivalent Sn(3) atoms. There are four inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to three equivalent Sn(1) and three equivalent Sn(4) atoms to form distorted edge-sharing PtSn6 octahedra. In the second Pt site, Pt(2) is bonded in a 7-coordinate geometry to one Fe(3), three equivalent Sn(1), and three equivalent Sn(2) atoms. In the third Pt site, Pt(3) is bonded in a distorted body-centered cubic geometry to one Fe(3), one Fe(4), three equivalent Fe(1), and three equivalent Sn(3) atoms. In the fourth Pt site, Pt(4) is bonded in a 7-coordinate geometry to one Fe(4), three equivalent Fe(2), and three equivalent Sn(4) atoms. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 6-coordinate geometry to three equivalent Pt(1) and three equivalent Pt(2) atoms. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to three equivalent Fe(3) and three equivalent Pt(2) atoms. In the third Sn site, Sn(3) is bonded in a 6-coordinate geometry to three equivalent Fe(4) and three equivalent Pt(3) atoms. In the fourth Sn site, Sn(4) is bonded in a 6-coordinate geometry to three equivalent Pt(1) and three equivalent Pt(4) atoms. is represented by the CIF card [CIF]
data_FeSnPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.023
_cell_length_b   4.023
_cell_length_c   15.855
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   222.240
_cell_formula_units_Z   4
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
  Fe  Fe0  1  0.667  0.333  0.245  1.0
  Fe  Fe1  1  0.667  0.333  0.562  1.0
  Fe  Fe2  1  0.000  0.000  0.179  1.0
  Fe  Fe3  1  0.000  0.000  0.499  1.0
  Sn  Sn4  1  0.667  0.333  0.922  1.0
  Sn  Sn5  1  0.333  0.667  0.108  1.0
  Sn  Sn6  1  0.333  0.667  0.422  1.0
  Sn  Sn7  1  0.333  0.667  0.737  1.0
  Pt  Pt8  1  0.000  0.000  0.832  1.0
  Pt  Pt9  1  0.000  0.000  0.012  1.0
  Pt  Pt10  1  0.000  0.000  0.331  1.0
  Pt  Pt11  1  0.000  0.000  0.651  1.0
[/CIF]
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The material structure described by FePtSn crystallizes in the trigonal P3m1 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 3-coordinate geometry to three equivalent Fe(3) and three equivalent Pt(3) atoms. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to three equivalent Fe(4) and three equivalent Pt(4) atoms. In the third Fe site, Fe(3) is bonded in a distorted body-centered cubic geometry to three equivalent Fe(1), one Pt(2), one Pt(3), and three equivalent Sn(2) atoms. In the fourth Fe site, Fe(4) is bonded in a distorted body-centered cubic geometry to three equivalent Fe(2), one Pt(3), one Pt(4), and three equivalent Sn(3) atoms. There are four inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to three equivalent Sn(1) and three equivalent Sn(4) atoms to form distorted edge-sharing PtSn6 octahedra. In the second Pt site, Pt(2) is bonded in a 7-coordinate geometry to one Fe(3), three equivalent Sn(1), and three equivalent Sn(2) atoms. In the third Pt site, Pt(3) is bonded in a distorted body-centered cubic geometry to one Fe(3), one Fe(4), three equivalent Fe(1), and three equivalent Sn(3) atoms. In the fourth Pt site, Pt(4) is bonded in a 7-coordinate geometry to one Fe(4), three equivalent Fe(2), and three equivalent Sn(4) atoms. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 6-coordinate geometry to three equivalent Pt(1) and three equivalent Pt(2) atoms. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to three equivalent Fe(3) and three equivalent Pt(2) atoms. In the third Sn site, Sn(3) is bonded in a 6-coordinate geometry to three equivalent Fe(4) and three equivalent Pt(3) atoms. In the fourth Sn site, Sn(4) is bonded in a 6-coordinate geometry to three equivalent Pt(1) and three equivalent Pt(4) atoms. is represented by the CIF card [CIF]
data_FeSnPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.023
_cell_length_b   4.023
_cell_length_c   15.855
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   222.240
_cell_formula_units_Z   4
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
  Fe  Fe0  1  0.667  0.333  0.245  1.0
  Fe  Fe1  1  0.667  0.333  0.562  1.0
  Fe  Fe2  1  0.000  0.000  0.179  1.0
  Fe  Fe3  1  0.000  0.000  0.499  1.0
  Sn  Sn4  1  0.667  0.333  0.922  1.0
  Sn  Sn5  1  0.333  0.667  0.108  1.0
  Sn  Sn6  1  0.333  0.667  0.422  1.0
  Sn  Sn7  1  0.333  0.667  0.737  1.0
  Pt  Pt8  1  0.000  0.000  0.832  1.0
  Pt  Pt9  1  0.000  0.000  0.012  1.0
  Pt  Pt10  1  0.000  0.000  0.331  1.0
  Pt  Pt11  1  0.000  0.000  0.651  1.0
[/CIF]
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