The material described by ErNiSn4 crystallizes in the orthorhombic Cmmm space group. Er(1) is bonded in a 10-coordinate geometry to two equivalent Sn(1), two equivalent Sn(3), and six equivalent Sn(2) atoms. Ni(1) is bonded in a distorted body-centered cubic geometry to two equivalent Sn(1), two equivalent Sn(3), two equivalent Sn(4), and two equivalent Sn(5) atoms. There are five inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to two equivalent Er(1), two equivalent Ni(1), one Sn(5), and four equivalent Sn(3) atoms. In the second Sn site, Sn(2) is bonded in a 8-coordinate geometry to six equivalent Er(1) and two equivalent Sn(2) atoms. In the third Sn site, Sn(3) is bonded in a 9-coordinate geometry to two equivalent Er(1), two equivalent Ni(1), one Sn(4), and four equivalent Sn(1) atoms. In the fourth Sn site, Sn(4) is bonded in a 4-coordinate geometry to four equivalent Ni(1) and two equivalent Sn(3) atoms. In the fifth Sn site, Sn(5) is bonded in a 4-coordinate geometry to four equivalent Ni(1) and two equivalent Sn(1) atoms. is represented by the CIF file [CIF]
data_ErNiSn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.331
_cell_length_b   14.331
_cell_length_c   4.469
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   162.166
_symmetry_Int_Tables_number   1
_cell_volume   281.103
_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
  Er  Er0  1  0.807  0.193  0.500  1.0
  Er  Er1  1  0.193  0.807  0.500  1.0
  Ni  Ni2  1  0.551  0.449  0.000  1.0
  Ni  Ni3  1  0.449  0.551  0.000  1.0
  Sn  Sn4  1  0.608  0.392  0.500  1.0
  Sn  Sn5  1  0.392  0.608  0.500  1.0
  Sn  Sn6  1  0.714  0.286  0.000  1.0
  Sn  Sn7  1  0.286  0.714  0.000  1.0
  Sn  Sn8  1  0.891  0.109  0.000  1.0
  Sn  Sn9  1  0.109  0.891  0.000  1.0
  Sn  Sn10  1  0.000  0.000  0.000  1.0
  Sn  Sn11  1  0.500  0.500  0.500  1.0
[/CIF]
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The material described by ErNiSn4 crystallizes in the orthorhombic Cmmm space group. Er(1) is bonded in a 10-coordinate geometry to two equivalent Sn(1), two equivalent Sn(3), and six equivalent Sn(2) atoms. Ni(1) is bonded in a distorted body-centered cubic geometry to two equivalent Sn(1), two equivalent Sn(3), two equivalent Sn(4), and two equivalent Sn(5) atoms. There are five inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to two equivalent Er(1), two equivalent Ni(1), one Sn(5), and four equivalent Sn(3) atoms. In the second Sn site, Sn(2) is bonded in a 8-coordinate geometry to six equivalent Er(1) and two equivalent Sn(2) atoms. In the third Sn site, Sn(3) is bonded in a 9-coordinate geometry to two equivalent Er(1), two equivalent Ni(1), one Sn(4), and four equivalent Sn(1) atoms. In the fourth Sn site, Sn(4) is bonded in a 4-coordinate geometry to four equivalent Ni(1) and two equivalent Sn(3) atoms. In the fifth Sn site, Sn(5) is bonded in a 4-coordinate geometry to four equivalent Ni(1) and two equivalent Sn(1) atoms. is represented by the CIF file [CIF]
data_ErNiSn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.331
_cell_length_b   14.331
_cell_length_c   4.469
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   162.166
_symmetry_Int_Tables_number   1
_cell_volume   281.103
_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
  Er  Er0  1  0.807  0.193  0.500  1.0
  Er  Er1  1  0.193  0.807  0.500  1.0
  Ni  Ni2  1  0.551  0.449  0.000  1.0
  Ni  Ni3  1  0.449  0.551  0.000  1.0
  Sn  Sn4  1  0.608  0.392  0.500  1.0
  Sn  Sn5  1  0.392  0.608  0.500  1.0
  Sn  Sn6  1  0.714  0.286  0.000  1.0
  Sn  Sn7  1  0.286  0.714  0.000  1.0
  Sn  Sn8  1  0.891  0.109  0.000  1.0
  Sn  Sn9  1  0.109  0.891  0.000  1.0
  Sn  Sn10  1  0.000  0.000  0.000  1.0
  Sn  Sn11  1  0.500  0.500  0.500  1.0
[/CIF]
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