The material described by YbMgSn crystallizes in the hexagonal P-62m space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent Sn(1) and two equivalent Sn(2) atoms. Yb(1) is bonded in a 5-coordinate geometry to one Sn(2) and four equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(2) is bonded in a 9-coordinate geometry to six equivalent Mg(1) and three equivalent Yb(1) atoms. In the second Sn site, Sn(1) is bonded in a 9-coordinate geometry to three equivalent Mg(1) and six equivalent Yb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbMgSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.598
_cell_length_b   7.598
_cell_length_c   4.660
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   233.003
_cell_formula_units_Z   3
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
  Yb  Yb0  1  0.000  0.572  0.500  1.0
  Yb  Yb1  1  0.428  0.428  0.500  1.0
  Yb  Yb2  1  0.572  0.000  0.500  1.0
  Mg  Mg3  1  0.250  0.000  0.000  1.0
  Mg  Mg4  1  0.000  0.250  0.000  1.0
  Mg  Mg5  1  0.750  0.750  0.000  1.0
  Sn  Sn6  1  0.667  0.333  0.000  1.0
  Sn  Sn7  1  0.333  0.667  0.000  1.0
  Sn  Sn8  1  0.000  0.000  0.500  1.0
[/CIF]
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The material described by YbMgSn crystallizes in the hexagonal P-62m space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent Sn(1) and two equivalent Sn(2) atoms. Yb(1) is bonded in a 5-coordinate geometry to one Sn(2) and four equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(2) is bonded in a 9-coordinate geometry to six equivalent Mg(1) and three equivalent Yb(1) atoms. In the second Sn site, Sn(1) is bonded in a 9-coordinate geometry to three equivalent Mg(1) and six equivalent Yb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbMgSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.598
_cell_length_b   7.598
_cell_length_c   4.660
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   233.003
_cell_formula_units_Z   3
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
  Yb  Yb0  1  0.000  0.572  0.500  1.0
  Yb  Yb1  1  0.428  0.428  0.500  1.0
  Yb  Yb2  1  0.572  0.000  0.500  1.0
  Mg  Mg3  1  0.250  0.000  0.000  1.0
  Mg  Mg4  1  0.000  0.250  0.000  1.0
  Mg  Mg5  1  0.750  0.750  0.000  1.0
  Sn  Sn6  1  0.667  0.333  0.000  1.0
  Sn  Sn7  1  0.333  0.667  0.000  1.0
  Sn  Sn8  1  0.000  0.000  0.500  1.0
[/CIF]
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