The material described by Cr2AuSn9 crystallizes in the tetragonal P4/m space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent Cr(2) and four equivalent Sn(2) atoms to form distorted corner-sharing CrCr2Sn4 octahedra. The corner-sharing octahedra are not tilted. In the second Cr site, Cr(2) is bonded to two equivalent Cr(1) and four equivalent Sn(1) atoms to form CrCr2Sn4 octahedra that share corners with two equivalent Cr(2)Cr2Sn4 octahedra and corners with four equivalent Au(1)Sn6 octahedra. The corner-sharing octahedral tilt angles range from 0-44°. Au(1) is bonded to two equivalent Sn(3) and four equivalent Sn(1) atoms to form AuSn6 octahedra that share corners with two equivalent Au(1)Sn6 octahedra and corners with four equivalent Cr(2)Cr2Sn4 octahedra. The corner-sharing octahedral tilt angles range from 0-44°. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 2-coordinate geometry to one Cr(2) and one Au(1) atom. In the second Sn site, Sn(2) is bonded in a distorted single-bond geometry to one Cr(1) atom. In the third Sn site, Sn(3) is bonded in a distorted linear geometry to two equivalent Au(1) atoms. is represented by the CIF file [CIF]
data_Cr2Sn9Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.699
_cell_length_b   7.412
_cell_length_c   7.412
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   313.091
_cell_formula_units_Z   1
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
  Cr  Cr0  1  0.000  0.500  0.500  1.0
  Cr  Cr1  1  0.500  0.500  0.500  1.0
  Sn  Sn2  1  0.500  0.355  0.152  1.0
  Sn  Sn3  1  0.500  0.645  0.848  1.0
  Sn  Sn4  1  0.500  0.848  0.355  1.0
  Sn  Sn5  1  0.500  0.152  0.645  1.0
  Sn  Sn6  1  0.000  0.621  0.158  1.0
  Sn  Sn7  1  0.000  0.379  0.842  1.0
  Sn  Sn8  1  0.000  0.158  0.379  1.0
  Sn  Sn9  1  0.000  0.842  0.621  1.0
  Sn  Sn10  1  0.000  0.000  0.000  1.0
  Au  Au11  1  0.500  0.000  0.000  1.0
[/CIF]
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The material described by Cr2AuSn9 crystallizes in the tetragonal P4/m space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent Cr(2) and four equivalent Sn(2) atoms to form distorted corner-sharing CrCr2Sn4 octahedra. The corner-sharing octahedra are not tilted. In the second Cr site, Cr(2) is bonded to two equivalent Cr(1) and four equivalent Sn(1) atoms to form CrCr2Sn4 octahedra that share corners with two equivalent Cr(2)Cr2Sn4 octahedra and corners with four equivalent Au(1)Sn6 octahedra. The corner-sharing octahedral tilt angles range from 0-44°. Au(1) is bonded to two equivalent Sn(3) and four equivalent Sn(1) atoms to form AuSn6 octahedra that share corners with two equivalent Au(1)Sn6 octahedra and corners with four equivalent Cr(2)Cr2Sn4 octahedra. The corner-sharing octahedral tilt angles range from 0-44°. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 2-coordinate geometry to one Cr(2) and one Au(1) atom. In the second Sn site, Sn(2) is bonded in a distorted single-bond geometry to one Cr(1) atom. In the third Sn site, Sn(3) is bonded in a distorted linear geometry to two equivalent Au(1) atoms. is represented by the CIF file [CIF]
data_Cr2Sn9Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.699
_cell_length_b   7.412
_cell_length_c   7.412
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   313.091
_cell_formula_units_Z   1
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
  Cr  Cr0  1  0.000  0.500  0.500  1.0
  Cr  Cr1  1  0.500  0.500  0.500  1.0
  Sn  Sn2  1  0.500  0.355  0.152  1.0
  Sn  Sn3  1  0.500  0.645  0.848  1.0
  Sn  Sn4  1  0.500  0.848  0.355  1.0
  Sn  Sn5  1  0.500  0.152  0.645  1.0
  Sn  Sn6  1  0.000  0.621  0.158  1.0
  Sn  Sn7  1  0.000  0.379  0.842  1.0
  Sn  Sn8  1  0.000  0.158  0.379  1.0
  Sn  Sn9  1  0.000  0.842  0.621  1.0
  Sn  Sn10  1  0.000  0.000  0.000  1.0
  Au  Au11  1  0.500  0.000  0.000  1.0
[/CIF]
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