The material described by Pr3(CuSn)4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to two equivalent Sn(2) and four equivalent Sn(1) atoms to form distorted edge-sharing PrSn6 octahedra. In the second Pr site, Pr(2) is bonded in a 12-coordinate geometry to six equivalent Cu(1), two equivalent Sn(2), and four equivalent Sn(1) atoms. Cu(1) is bonded in a 8-coordinate geometry to three equivalent Pr(2), one Cu(1), one Sn(1), and three equivalent Sn(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to two equivalent Pr(1), four equivalent Pr(2), two equivalent Cu(1), and one Sn(1) atom. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to one Pr(1), two equivalent Pr(2), and six equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr3(CuSn)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.593
_cell_length_b   7.018
_cell_length_c   8.647
_cell_angle_alpha   113.940
_cell_angle_beta   105.400
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   243.753
_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
  Pr  Pr0  1  0.000  0.500  0.000  1.0
  Pr  Pr1  1  0.134  0.134  0.268  1.0
  Pr  Pr2  1  0.866  0.866  0.732  1.0
  Cu  Cu3  1  0.667  0.486  0.334  1.0
  Cu  Cu4  1  0.667  0.848  0.334  1.0
  Cu  Cu5  1  0.333  0.152  0.666  1.0
  Cu  Cu6  1  0.333  0.514  0.666  1.0
  Sn  Sn7  1  0.500  0.199  0.000  1.0
  Sn  Sn8  1  0.500  0.801  0.000  1.0
  Sn  Sn9  1  0.217  0.717  0.433  1.0
  Sn  Sn10  1  0.783  0.283  0.567  1.0
[/CIF]
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The material described by Pr3(CuSn)4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to two equivalent Sn(2) and four equivalent Sn(1) atoms to form distorted edge-sharing PrSn6 octahedra. In the second Pr site, Pr(2) is bonded in a 12-coordinate geometry to six equivalent Cu(1), two equivalent Sn(2), and four equivalent Sn(1) atoms. Cu(1) is bonded in a 8-coordinate geometry to three equivalent Pr(2), one Cu(1), one Sn(1), and three equivalent Sn(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to two equivalent Pr(1), four equivalent Pr(2), two equivalent Cu(1), and one Sn(1) atom. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to one Pr(1), two equivalent Pr(2), and six equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr3(CuSn)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.593
_cell_length_b   7.018
_cell_length_c   8.647
_cell_angle_alpha   113.940
_cell_angle_beta   105.400
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   243.753
_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
  Pr  Pr0  1  0.000  0.500  0.000  1.0
  Pr  Pr1  1  0.134  0.134  0.268  1.0
  Pr  Pr2  1  0.866  0.866  0.732  1.0
  Cu  Cu3  1  0.667  0.486  0.334  1.0
  Cu  Cu4  1  0.667  0.848  0.334  1.0
  Cu  Cu5  1  0.333  0.152  0.666  1.0
  Cu  Cu6  1  0.333  0.514  0.666  1.0
  Sn  Sn7  1  0.500  0.199  0.000  1.0
  Sn  Sn8  1  0.500  0.801  0.000  1.0
  Sn  Sn9  1  0.217  0.717  0.433  1.0
  Sn  Sn10  1  0.783  0.283  0.567  1.0
[/CIF]
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