The material described by AlNiEr crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 12-coordinate geometry to three equivalent Er(2), one Ni(3), two equivalent Ni(1), two equivalent Ni(2), three equivalent Al(1), and four equivalent Al(2) atoms. In the second Er site, Er(2) is bonded in a 16-coordinate geometry to one Er(2), three equivalent Er(1), one Ni(1), two equivalent Ni(3), four equivalent Ni(2), two equivalent Al(2), and three equivalent Al(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Er(2), four equivalent Er(1), two equivalent Al(1), and four equivalent Al(2) atoms to form NiEr6Al6 cuboctahedra that share corners with two equivalent Ni(3)Er6Al2Ni4 cuboctahedra, corners with four equivalent Ni(1)Er6Al6 cuboctahedra, corners with four equivalent Al(1)Er6Al2Ni4 cuboctahedra, corners with eight equivalent Ni(2)Er6Al2Ni4 cuboctahedra, edges with two equivalent Ni(1)Er6Al6 cuboctahedra, edges with four equivalent Ni(3)Er6Al2Ni4 cuboctahedra, faces with four equivalent Ni(2)Er6Al2Ni4 cuboctahedra, faces with six equivalent Al(1)Er6Al2Ni4 cuboctahedra, and faces with eight equivalent Al(2)Er6Al4Ni2 cuboctahedra. In the second Ni site, Ni(2) is bonded to two equivalent Er(1), four equivalent Er(2), two equivalent Ni(2), two equivalent Ni(3), and two equivalent Al(1) atoms to form distorted NiEr6Al2Ni4 cuboctahedra that share corners with four equivalent Ni(2)Er6Al2Ni4 cuboctahedra, corners with four equivalent Ni(1)Er6Al6 cuboctahedra, corners with four equivalent Al(1)Er6Al2Ni4 cuboctahedra, corners with six equivalent Al(2)Er6Al4Ni2 cuboctahedra, edges with two equivalent Ni(2)Er6Al2Ni4 cuboctahedra, edges with four equivalent Al(2)Er6Al4Ni2 cuboctahedra, faces with two equivalent Ni(1)Er6Al6 cuboctahedra, faces with two equivalent Al(2)Er6Al4Ni2 cuboctahedra, faces with four equivalent Ni(2)Er6Al2Ni4 cuboctahedra, faces with four equivalent Ni(3)Er6Al2Ni4 cuboctahedra, and faces with six equivalent Al(1)Er6Al2Ni4 cuboctahedra. In the third Ni site, Ni(3) is bonded to two equivalent Er(1), four equivalent Er(2), four equivalent Ni(2), and two equivalent Al(1) atoms to form distorted NiEr6Al2Ni4 cuboctahedra that share corners with two equivalent Ni(1)Er6Al6 cuboctahedra, corners with four equivalent Ni(3)Er6Al2Ni4 cuboctahedra, corners with four equivalent Al(1)Er6Al2Ni4 cuboctahedra, corners with eight equivalent Al(2)Er6Al4Ni2 cuboctahedra, edges with two equivalent Ni(3)Er6Al2Ni4 cuboctahedra, edges with four equivalent Ni(1)Er6Al6 cuboctahedra, faces with four equivalent Al(2)Er6Al4Ni2 cuboctahedra, faces with six equivalent Al(1)Er6Al2Ni4 cuboctahedra, and faces with eight equivalent Ni(2)Er6Al2Ni4 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent Er(1), three equivalent Er(2), one Ni(1), one Ni(3), two equivalent Ni(2), and two equivalent Al(2) atoms to form distorted AlEr6Al2Ni4 cuboctahedra that share corners with two equivalent Ni(3)Er6Al2Ni4 cuboctahedra, corners with two equivalent Ni(1)Er6Al6 cuboctahedra, corners with four equivalent Ni(2)Er6Al2Ni4 cuboctahedra, corners with four equivalent Al(2)Er6Al4Ni2 cuboctahedra, edges with six equivalent Al(1)Er6Al2Ni4 cuboctahedra, faces with two equivalent Al(1)Er6Al2Ni4 cuboctahedra, faces with three equivalent Ni(3)Er6Al2Ni4 cuboctahedra, faces with three equivalent Ni(1)Er6Al6 cuboctahedra, faces with six equivalent Ni(2)Er6Al2Ni4 cuboctahedra, and faces with six equivalent Al(2)Er6Al4Ni2 cuboctahedra. In the second Al site, Al(2) is bonded to two equivalent Er(2), four equivalent Er(1), two equivalent Ni(1), two equivalent Al(1), and two equivalent Al(2) atoms to form distorted AlEr6Al4Ni2 cuboctahedra that share corners with four equivalent Ni(3)Er6Al2Ni4 cuboctahedra, corners with four equivalent Al(1)Er6Al2Ni4 cuboctahedra, corners with four equivalent Al(2)Er6Al4Ni2 cuboctahedra, corners with six equivalent Ni(2)Er6Al2Ni4 cuboctahedra, edges with two equivalent Al(2)Er6Al4Ni2 cuboctahedra, edges with four equivalent Ni(2)Er6Al2Ni4 cuboctahedra, faces with two equivalent Ni(2)Er6Al2Ni4 cuboctahedra, faces with two equivalent Ni(3)Er6Al2Ni4 cuboctahedra, faces with four equivalent Ni(1)Er6Al6 cuboctahedra, faces with four equivalent Al(2)Er6Al4Ni2 cuboctahedra, and faces with six equivalent Al(1)Er6Al2Ni4 cuboctahedra. is represented by the CIF file [CIF]
data_ErAlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.319
_cell_length_b   5.319
_cell_length_c   8.464
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.383
_symmetry_Int_Tables_number   1
_cell_volume   208.676
_cell_formula_units_Z   4
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  0.667  0.333  0.296  1.0
  Er  Er1  1  0.330  0.670  0.176  1.0
  Er  Er2  1  0.330  0.670  0.824  1.0
  Er  Er3  1  0.667  0.333  0.704  1.0
  Al  Al4  1  0.004  0.996  0.238  1.0
  Al  Al5  1  0.004  0.996  0.762  1.0
  Al  Al6  1  0.659  0.832  0.500  1.0
  Al  Al7  1  0.168  0.341  0.500  1.0
  Ni  Ni8  1  0.168  0.832  0.500  1.0
  Ni  Ni9  1  0.337  0.169  0.000  1.0
  Ni  Ni10  1  0.831  0.663  0.000  1.0
  Ni  Ni11  1  0.833  0.167  0.000  1.0
[/CIF]
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The material described by AlNiEr crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 12-coordinate geometry to three equivalent Er(2), one Ni(3), two equivalent Ni(1), two equivalent Ni(2), three equivalent Al(1), and four equivalent Al(2) atoms. In the second Er site, Er(2) is bonded in a 16-coordinate geometry to one Er(2), three equivalent Er(1), one Ni(1), two equivalent Ni(3), four equivalent Ni(2), two equivalent Al(2), and three equivalent Al(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Er(2), four equivalent Er(1), two equivalent Al(1), and four equivalent Al(2) atoms to form NiEr6Al6 cuboctahedra that share corners with two equivalent Ni(3)Er6Al2Ni4 cuboctahedra, corners with four equivalent Ni(1)Er6Al6 cuboctahedra, corners with four equivalent Al(1)Er6Al2Ni4 cuboctahedra, corners with eight equivalent Ni(2)Er6Al2Ni4 cuboctahedra, edges with two equivalent Ni(1)Er6Al6 cuboctahedra, edges with four equivalent Ni(3)Er6Al2Ni4 cuboctahedra, faces with four equivalent Ni(2)Er6Al2Ni4 cuboctahedra, faces with six equivalent Al(1)Er6Al2Ni4 cuboctahedra, and faces with eight equivalent Al(2)Er6Al4Ni2 cuboctahedra. In the second Ni site, Ni(2) is bonded to two equivalent Er(1), four equivalent Er(2), two equivalent Ni(2), two equivalent Ni(3), and two equivalent Al(1) atoms to form distorted NiEr6Al2Ni4 cuboctahedra that share corners with four equivalent Ni(2)Er6Al2Ni4 cuboctahedra, corners with four equivalent Ni(1)Er6Al6 cuboctahedra, corners with four equivalent Al(1)Er6Al2Ni4 cuboctahedra, corners with six equivalent Al(2)Er6Al4Ni2 cuboctahedra, edges with two equivalent Ni(2)Er6Al2Ni4 cuboctahedra, edges with four equivalent Al(2)Er6Al4Ni2 cuboctahedra, faces with two equivalent Ni(1)Er6Al6 cuboctahedra, faces with two equivalent Al(2)Er6Al4Ni2 cuboctahedra, faces with four equivalent Ni(2)Er6Al2Ni4 cuboctahedra, faces with four equivalent Ni(3)Er6Al2Ni4 cuboctahedra, and faces with six equivalent Al(1)Er6Al2Ni4 cuboctahedra. In the third Ni site, Ni(3) is bonded to two equivalent Er(1), four equivalent Er(2), four equivalent Ni(2), and two equivalent Al(1) atoms to form distorted NiEr6Al2Ni4 cuboctahedra that share corners with two equivalent Ni(1)Er6Al6 cuboctahedra, corners with four equivalent Ni(3)Er6Al2Ni4 cuboctahedra, corners with four equivalent Al(1)Er6Al2Ni4 cuboctahedra, corners with eight equivalent Al(2)Er6Al4Ni2 cuboctahedra, edges with two equivalent Ni(3)Er6Al2Ni4 cuboctahedra, edges with four equivalent Ni(1)Er6Al6 cuboctahedra, faces with four equivalent Al(2)Er6Al4Ni2 cuboctahedra, faces with six equivalent Al(1)Er6Al2Ni4 cuboctahedra, and faces with eight equivalent Ni(2)Er6Al2Ni4 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent Er(1), three equivalent Er(2), one Ni(1), one Ni(3), two equivalent Ni(2), and two equivalent Al(2) atoms to form distorted AlEr6Al2Ni4 cuboctahedra that share corners with two equivalent Ni(3)Er6Al2Ni4 cuboctahedra, corners with two equivalent Ni(1)Er6Al6 cuboctahedra, corners with four equivalent Ni(2)Er6Al2Ni4 cuboctahedra, corners with four equivalent Al(2)Er6Al4Ni2 cuboctahedra, edges with six equivalent Al(1)Er6Al2Ni4 cuboctahedra, faces with two equivalent Al(1)Er6Al2Ni4 cuboctahedra, faces with three equivalent Ni(3)Er6Al2Ni4 cuboctahedra, faces with three equivalent Ni(1)Er6Al6 cuboctahedra, faces with six equivalent Ni(2)Er6Al2Ni4 cuboctahedra, and faces with six equivalent Al(2)Er6Al4Ni2 cuboctahedra. In the second Al site, Al(2) is bonded to two equivalent Er(2), four equivalent Er(1), two equivalent Ni(1), two equivalent Al(1), and two equivalent Al(2) atoms to form distorted AlEr6Al4Ni2 cuboctahedra that share corners with four equivalent Ni(3)Er6Al2Ni4 cuboctahedra, corners with four equivalent Al(1)Er6Al2Ni4 cuboctahedra, corners with four equivalent Al(2)Er6Al4Ni2 cuboctahedra, corners with six equivalent Ni(2)Er6Al2Ni4 cuboctahedra, edges with two equivalent Al(2)Er6Al4Ni2 cuboctahedra, edges with four equivalent Ni(2)Er6Al2Ni4 cuboctahedra, faces with two equivalent Ni(2)Er6Al2Ni4 cuboctahedra, faces with two equivalent Ni(3)Er6Al2Ni4 cuboctahedra, faces with four equivalent Ni(1)Er6Al6 cuboctahedra, faces with four equivalent Al(2)Er6Al4Ni2 cuboctahedra, and faces with six equivalent Al(1)Er6Al2Ni4 cuboctahedra. is represented by the CIF file [CIF]
data_ErAlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.319
_cell_length_b   5.319
_cell_length_c   8.464
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.383
_symmetry_Int_Tables_number   1
_cell_volume   208.676
_cell_formula_units_Z   4
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  0.667  0.333  0.296  1.0
  Er  Er1  1  0.330  0.670  0.176  1.0
  Er  Er2  1  0.330  0.670  0.824  1.0
  Er  Er3  1  0.667  0.333  0.704  1.0
  Al  Al4  1  0.004  0.996  0.238  1.0
  Al  Al5  1  0.004  0.996  0.762  1.0
  Al  Al6  1  0.659  0.832  0.500  1.0
  Al  Al7  1  0.168  0.341  0.500  1.0
  Ni  Ni8  1  0.168  0.832  0.500  1.0
  Ni  Ni9  1  0.337  0.169  0.000  1.0
  Ni  Ni10  1  0.831  0.663  0.000  1.0
  Ni  Ni11  1  0.833  0.167  0.000  1.0
[/CIF]
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