The compound described by CaAuSn crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 12-coordinate geometry to six equivalent Au(1) and six equivalent Sn(1) atoms. In the second Ca site, Ca(2) is bonded in a 12-coordinate geometry to six equivalent Au(1) and six equivalent Sn(1) atoms. Au(1) is bonded in a 9-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), and three equivalent Sn(1) atoms. Sn(1) is bonded in a 10-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), three equivalent Au(1), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaSnAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.759
_cell_length_b   6.022
_cell_length_c   6.022
_cell_angle_alpha   75.394
_cell_angle_beta   66.722
_cell_angle_gamma   66.722
_symmetry_Int_Tables_number   1
_cell_volume   144.673
_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
  Ca  Ca0  1  0.683  0.317  0.317  1.0
  Ca  Ca1  1  0.625  0.875  0.875  1.0
  Sn  Sn2  1  0.986  0.308  0.720  1.0
  Sn  Sn3  1  0.986  0.720  0.308  1.0
  Au  Au4  1  0.318  0.913  0.451  1.0
  Au  Au5  1  0.318  0.451  0.913  1.0
[/CIF]
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The compound described by CaAuSn crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 12-coordinate geometry to six equivalent Au(1) and six equivalent Sn(1) atoms. In the second Ca site, Ca(2) is bonded in a 12-coordinate geometry to six equivalent Au(1) and six equivalent Sn(1) atoms. Au(1) is bonded in a 9-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), and three equivalent Sn(1) atoms. Sn(1) is bonded in a 10-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), three equivalent Au(1), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaSnAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.759
_cell_length_b   6.022
_cell_length_c   6.022
_cell_angle_alpha   75.394
_cell_angle_beta   66.722
_cell_angle_gamma   66.722
_symmetry_Int_Tables_number   1
_cell_volume   144.673
_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
  Ca  Ca0  1  0.683  0.317  0.317  1.0
  Ca  Ca1  1  0.625  0.875  0.875  1.0
  Sn  Sn2  1  0.986  0.308  0.720  1.0
  Sn  Sn3  1  0.986  0.720  0.308  1.0
  Au  Au4  1  0.318  0.913  0.451  1.0
  Au  Au5  1  0.318  0.451  0.913  1.0
[/CIF]
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