The compound described by Er2FeGa8 crystallizes in the tetragonal P4/mmm space group. Er(1) is bonded to four equivalent Ga(1), four equivalent Ga(2), and four equivalent Ga(3) atoms to form ErGa12 cuboctahedra that share corners with eight equivalent Er(1)Ga12 cuboctahedra, edges with four equivalent Ga(3)Er4Ga8 cuboctahedra, edges with eight equivalent Ga(2)Er4Ga8 cuboctahedra, faces with four equivalent Ga(2)Er4Ga8 cuboctahedra, faces with four equivalent Ga(3)Er4Ga8 cuboctahedra, and faces with five equivalent Er(1)Ga12 cuboctahedra. Fe(1) is bonded in a body-centered cubic geometry to eight equivalent Ga(1) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 11-coordinate geometry to two equivalent Er(1), two equivalent Fe(1), two equivalent Ga(3), and five equivalent Ga(1) atoms. In the second Ga site, Ga(2) is bonded to four equivalent Er(1), four equivalent Ga(2), and four equivalent Ga(3) atoms to form distorted GaEr4Ga8 cuboctahedra that share corners with four equivalent Ga(2)Er4Ga8 cuboctahedra, edges with eight equivalent Er(1)Ga12 cuboctahedra, edges with eight equivalent Ga(3)Er4Ga8 cuboctahedra, faces with four equivalent Er(1)Ga12 cuboctahedra, faces with four equivalent Ga(3)Er4Ga8 cuboctahedra, and faces with eight equivalent Ga(2)Er4Ga8 cuboctahedra. In the third Ga site, Ga(3) is bonded to four equivalent Er(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form distorted GaEr4Ga8 cuboctahedra that share corners with eight equivalent Ga(3)Er4Ga8 cuboctahedra, edges with four equivalent Er(1)Ga12 cuboctahedra, edges with eight equivalent Ga(2)Er4Ga8 cuboctahedra, faces with four equivalent Er(1)Ga12 cuboctahedra, faces with four equivalent Ga(2)Er4Ga8 cuboctahedra, and faces with five equivalent Ga(3)Er4Ga8 cuboctahedra. is represented by the CIF file [CIF]
data_Er2Ga8Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.246
_cell_length_b   4.246
_cell_length_c   11.043
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   199.118
_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
  Er  Er0  1  0.000  0.000  0.696  1.0
  Er  Er1  1  0.000  0.000  0.304  1.0
  Ga  Ga2  1  0.500  0.000  0.885  1.0
  Ga  Ga3  1  0.000  0.500  0.885  1.0
  Ga  Ga4  1  0.500  0.000  0.115  1.0
  Ga  Ga5  1  0.000  0.500  0.115  1.0
  Ga  Ga6  1  0.500  0.000  0.500  1.0
  Ga  Ga7  1  0.000  0.500  0.500  1.0
  Ga  Ga8  1  0.500  0.500  0.699  1.0
  Ga  Ga9  1  0.500  0.500  0.301  1.0
  Fe  Fe10  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Er2FeGa8 crystallizes in the tetragonal P4/mmm space group. Er(1) is bonded to four equivalent Ga(1), four equivalent Ga(2), and four equivalent Ga(3) atoms to form ErGa12 cuboctahedra that share corners with eight equivalent Er(1)Ga12 cuboctahedra, edges with four equivalent Ga(3)Er4Ga8 cuboctahedra, edges with eight equivalent Ga(2)Er4Ga8 cuboctahedra, faces with four equivalent Ga(2)Er4Ga8 cuboctahedra, faces with four equivalent Ga(3)Er4Ga8 cuboctahedra, and faces with five equivalent Er(1)Ga12 cuboctahedra. Fe(1) is bonded in a body-centered cubic geometry to eight equivalent Ga(1) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 11-coordinate geometry to two equivalent Er(1), two equivalent Fe(1), two equivalent Ga(3), and five equivalent Ga(1) atoms. In the second Ga site, Ga(2) is bonded to four equivalent Er(1), four equivalent Ga(2), and four equivalent Ga(3) atoms to form distorted GaEr4Ga8 cuboctahedra that share corners with four equivalent Ga(2)Er4Ga8 cuboctahedra, edges with eight equivalent Er(1)Ga12 cuboctahedra, edges with eight equivalent Ga(3)Er4Ga8 cuboctahedra, faces with four equivalent Er(1)Ga12 cuboctahedra, faces with four equivalent Ga(3)Er4Ga8 cuboctahedra, and faces with eight equivalent Ga(2)Er4Ga8 cuboctahedra. In the third Ga site, Ga(3) is bonded to four equivalent Er(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form distorted GaEr4Ga8 cuboctahedra that share corners with eight equivalent Ga(3)Er4Ga8 cuboctahedra, edges with four equivalent Er(1)Ga12 cuboctahedra, edges with eight equivalent Ga(2)Er4Ga8 cuboctahedra, faces with four equivalent Er(1)Ga12 cuboctahedra, faces with four equivalent Ga(2)Er4Ga8 cuboctahedra, and faces with five equivalent Ga(3)Er4Ga8 cuboctahedra. is represented by the CIF file [CIF]
data_Er2Ga8Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.246
_cell_length_b   4.246
_cell_length_c   11.043
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   199.118
_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
  Er  Er0  1  0.000  0.000  0.696  1.0
  Er  Er1  1  0.000  0.000  0.304  1.0
  Ga  Ga2  1  0.500  0.000  0.885  1.0
  Ga  Ga3  1  0.000  0.500  0.885  1.0
  Ga  Ga4  1  0.500  0.000  0.115  1.0
  Ga  Ga5  1  0.000  0.500  0.115  1.0
  Ga  Ga6  1  0.500  0.000  0.500  1.0
  Ga  Ga7  1  0.000  0.500  0.500  1.0
  Ga  Ga8  1  0.500  0.500  0.699  1.0
  Ga  Ga9  1  0.500  0.500  0.301  1.0
  Fe  Fe10  1  0.000  0.000  0.000  1.0
[/CIF]
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