The material structure described by CrNiCu4Sn2 is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. Cr(1) is bonded in a distorted body-centered cubic geometry to two equivalent Cu(2) and six equivalent Cu(1) atoms. Ni(1) is bonded in a distorted body-centered cubic geometry to two equivalent Cu(1) and six Cu(2,2) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted body-centered cubic geometry to three equivalent Cr(1), one Ni(1), and four equivalent Sn(1) atoms. In the second Cu site, Cu(2) is bonded in a distorted body-centered cubic geometry to one Cr(1), three equivalent Ni(1), and four equivalent Sn(1) atoms. In the third Cu site, Cu(2) is bonded in a distorted body-centered cubic geometry to one Cr(1), three equivalent Ni(1), and four equivalent Sn(1) atoms. In the fourth Cu site, Cu(2) is bonded in a distorted body-centered cubic geometry to one Cr(1), three equivalent Ni(1), and four equivalent Sn(1) atoms. Sn(1) is bonded in a distorted body-centered cubic geometry to four equivalent Cu(1) and four Cu(2,2) atoms. is represented by the CIF card [CIF]
data_CrCu4NiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.518
_cell_length_b   7.518
_cell_length_c   7.518
_cell_angle_alpha   33.731
_cell_angle_beta   33.731
_cell_angle_gamma   33.731
_symmetry_Int_Tables_number   1
_cell_volume   116.735
_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  0.000  0.000  1.0
  Cu  Cu1  1  0.376  0.376  0.376  1.0
  Cu  Cu2  1  0.874  0.874  0.874  1.0
  Cu  Cu3  1  0.624  0.624  0.624  1.0
  Cu  Cu4  1  0.126  0.126  0.126  1.0
  Ni  Ni5  1  0.500  0.500  0.500  1.0
  Sn  Sn6  1  0.750  0.750  0.750  1.0
  Sn  Sn7  1  0.250  0.250  0.250  1.0
[/CIF]
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The material structure described by CrNiCu4Sn2 is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. Cr(1) is bonded in a distorted body-centered cubic geometry to two equivalent Cu(2) and six equivalent Cu(1) atoms. Ni(1) is bonded in a distorted body-centered cubic geometry to two equivalent Cu(1) and six Cu(2,2) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted body-centered cubic geometry to three equivalent Cr(1), one Ni(1), and four equivalent Sn(1) atoms. In the second Cu site, Cu(2) is bonded in a distorted body-centered cubic geometry to one Cr(1), three equivalent Ni(1), and four equivalent Sn(1) atoms. In the third Cu site, Cu(2) is bonded in a distorted body-centered cubic geometry to one Cr(1), three equivalent Ni(1), and four equivalent Sn(1) atoms. In the fourth Cu site, Cu(2) is bonded in a distorted body-centered cubic geometry to one Cr(1), three equivalent Ni(1), and four equivalent Sn(1) atoms. Sn(1) is bonded in a distorted body-centered cubic geometry to four equivalent Cu(1) and four Cu(2,2) atoms. is represented by the CIF card [CIF]
data_CrCu4NiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.518
_cell_length_b   7.518
_cell_length_c   7.518
_cell_angle_alpha   33.731
_cell_angle_beta   33.731
_cell_angle_gamma   33.731
_symmetry_Int_Tables_number   1
_cell_volume   116.735
_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  0.000  0.000  1.0
  Cu  Cu1  1  0.376  0.376  0.376  1.0
  Cu  Cu2  1  0.874  0.874  0.874  1.0
  Cu  Cu3  1  0.624  0.624  0.624  1.0
  Cu  Cu4  1  0.126  0.126  0.126  1.0
  Ni  Ni5  1  0.500  0.500  0.500  1.0
  Sn  Sn6  1  0.750  0.750  0.750  1.0
  Sn  Sn7  1  0.250  0.250  0.250  1.0
[/CIF]
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