The material structure described by Er5Ni2In crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to four equivalent Ni(1) and two equivalent In(1) atoms to form distorted ErIn2Ni4 octahedra that share corners with six equivalent Er(1)In2Ni4 octahedra, corners with sixteen equivalent Er(2)In2Ni3 trigonal bipyramids, and faces with eight equivalent Er(2)In2Ni3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-53°. In the second Er site, Er(2) is bonded to three equivalent Ni(1) and two equivalent In(1) atoms to form distorted ErIn2Ni3 trigonal bipyramids that share corners with four equivalent Er(1)In2Ni4 octahedra, corners with twelve equivalent Er(2)In2Ni3 trigonal bipyramids, edges with seven equivalent Er(2)In2Ni3 trigonal bipyramids, faces with two equivalent Er(1)In2Ni4 octahedra, and  a faceface with one Er(2)In2Ni3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-62°. Ni(1) is bonded in a 9-coordinate geometry to two equivalent Er(1), six equivalent Er(2), and one Ni(1) atom. In(1) is bonded in a distorted q6 geometry to two equivalent Er(1) and eight equivalent Er(2) atoms. is represented by the CIF card [CIF]
data_Er5InNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.563
_cell_length_b   8.563
_cell_length_c   8.563
_cell_angle_alpha   127.363
_cell_angle_beta   127.363
_cell_angle_gamma   77.659
_symmetry_Int_Tables_number   1
_cell_volume   384.568
_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  0.000  0.000  0.000  1.0
  Er  Er1  1  0.500  0.500  0.000  1.0
  Er  Er2  1  0.796  0.296  0.823  1.0
  Er  Er3  1  0.204  0.704  0.177  1.0
  Er  Er4  1  0.473  0.973  0.177  1.0
  Er  Er5  1  0.296  0.473  0.500  1.0
  Er  Er6  1  0.027  0.204  0.500  1.0
  Er  Er7  1  0.527  0.027  0.823  1.0
  Er  Er8  1  0.704  0.527  0.500  1.0
  Er  Er9  1  0.973  0.796  0.500  1.0
  In  In10  1  0.250  0.250  0.000  1.0
  In  In11  1  0.750  0.750  0.000  1.0
  Ni  Ni12  1  0.124  0.624  0.748  1.0
  Ni  Ni13  1  0.876  0.376  0.252  1.0
  Ni  Ni14  1  0.624  0.876  0.500  1.0
  Ni  Ni15  1  0.376  0.124  0.500  1.0
[/CIF]
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The material structure described by Er5Ni2In crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to four equivalent Ni(1) and two equivalent In(1) atoms to form distorted ErIn2Ni4 octahedra that share corners with six equivalent Er(1)In2Ni4 octahedra, corners with sixteen equivalent Er(2)In2Ni3 trigonal bipyramids, and faces with eight equivalent Er(2)In2Ni3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-53°. In the second Er site, Er(2) is bonded to three equivalent Ni(1) and two equivalent In(1) atoms to form distorted ErIn2Ni3 trigonal bipyramids that share corners with four equivalent Er(1)In2Ni4 octahedra, corners with twelve equivalent Er(2)In2Ni3 trigonal bipyramids, edges with seven equivalent Er(2)In2Ni3 trigonal bipyramids, faces with two equivalent Er(1)In2Ni4 octahedra, and  a faceface with one Er(2)In2Ni3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-62°. Ni(1) is bonded in a 9-coordinate geometry to two equivalent Er(1), six equivalent Er(2), and one Ni(1) atom. In(1) is bonded in a distorted q6 geometry to two equivalent Er(1) and eight equivalent Er(2) atoms. is represented by the CIF card [CIF]
data_Er5InNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.563
_cell_length_b   8.563
_cell_length_c   8.563
_cell_angle_alpha   127.363
_cell_angle_beta   127.363
_cell_angle_gamma   77.659
_symmetry_Int_Tables_number   1
_cell_volume   384.568
_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  0.000  0.000  0.000  1.0
  Er  Er1  1  0.500  0.500  0.000  1.0
  Er  Er2  1  0.796  0.296  0.823  1.0
  Er  Er3  1  0.204  0.704  0.177  1.0
  Er  Er4  1  0.473  0.973  0.177  1.0
  Er  Er5  1  0.296  0.473  0.500  1.0
  Er  Er6  1  0.027  0.204  0.500  1.0
  Er  Er7  1  0.527  0.027  0.823  1.0
  Er  Er8  1  0.704  0.527  0.500  1.0
  Er  Er9  1  0.973  0.796  0.500  1.0
  In  In10  1  0.250  0.250  0.000  1.0
  In  In11  1  0.750  0.750  0.000  1.0
  Ni  Ni12  1  0.124  0.624  0.748  1.0
  Ni  Ni13  1  0.876  0.376  0.252  1.0
  Ni  Ni14  1  0.624  0.876  0.500  1.0
  Ni  Ni15  1  0.376  0.124  0.500  1.0
[/CIF]
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