The crystal structure described by Er3GdMn8 is Hexagonal Laves-derived structured and crystallizes in the trigonal P3m1 space group. There are three inequivalent Er sites. In the first Er site, Er(1) is bonded in a 16-coordinate geometry to one Er(2), three equivalent Gd(1), three equivalent Mn(1), three equivalent Mn(3), and six equivalent Mn(4) atoms. In the second Er site, Er(2) is bonded in a 16-coordinate geometry to one Er(1), three equivalent Er(3), three equivalent Mn(2), three equivalent Mn(3), and six equivalent Mn(4) atoms. In the third Er site, Er(3) is bonded in a 16-coordinate geometry to three equivalent Er(2), one Gd(1), three equivalent Mn(2), three equivalent Mn(4), and six equivalent Mn(3) atoms. Gd(1) is bonded in a 16-coordinate geometry to one Er(3), three equivalent Er(1), three equivalent Mn(1), three equivalent Mn(4), and six equivalent Mn(3) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent Er(1), three equivalent Gd(1), three equivalent Mn(3), and three equivalent Mn(4) atoms to form MnGd3Er3Mn6 cuboctahedra that share corners with six equivalent Mn(3)Gd2Er4Mn6 cuboctahedra, corners with six equivalent Mn(4)GdEr5Mn6 cuboctahedra, edges with six equivalent Mn(1)Gd3Er3Mn6 cuboctahedra, faces with two equivalent Mn(2)Er6Mn6 cuboctahedra, faces with nine equivalent Mn(3)Gd2Er4Mn6 cuboctahedra, and faces with nine equivalent Mn(4)GdEr5Mn6 cuboctahedra. In the second Mn site, Mn(2) is bonded to three equivalent Er(2), three equivalent Er(3), three equivalent Mn(3), and three equivalent Mn(4) atoms to form MnEr6Mn6 cuboctahedra that share corners with six equivalent Mn(3)Gd2Er4Mn6 cuboctahedra, corners with six equivalent Mn(4)GdEr5Mn6 cuboctahedra, edges with six equivalent Mn(2)Er6Mn6 cuboctahedra, faces with two equivalent Mn(1)Gd3Er3Mn6 cuboctahedra, faces with nine equivalent Mn(3)Gd2Er4Mn6 cuboctahedra, and faces with nine equivalent Mn(4)GdEr5Mn6 cuboctahedra. In the third Mn site, Mn(3) is bonded to one Er(1), one Er(2), two equivalent Er(3), two equivalent Gd(1), one Mn(1), one Mn(2), and four equivalent Mn(3) atoms to form MnGd2Er4Mn6 cuboctahedra that share corners with two equivalent Mn(2)Er6Mn6 cuboctahedra, corners with two equivalent Mn(1)Gd3Er3Mn6 cuboctahedra, corners with four equivalent Mn(3)Gd2Er4Mn6 cuboctahedra, corners with ten equivalent Mn(4)GdEr5Mn6 cuboctahedra, edges with two equivalent Mn(3)Gd2Er4Mn6 cuboctahedra, edges with four equivalent Mn(4)GdEr5Mn6 cuboctahedra, faces with three equivalent Mn(2)Er6Mn6 cuboctahedra, faces with three equivalent Mn(1)Gd3Er3Mn6 cuboctahedra, faces with four equivalent Mn(4)GdEr5Mn6 cuboctahedra, and faces with eight equivalent Mn(3)Gd2Er4Mn6 cuboctahedra. In the fourth Mn site, Mn(4) is bonded to one Er(3), two equivalent Er(1), two equivalent Er(2), one Gd(1), one Mn(1), one Mn(2), and four equivalent Mn(4) atoms to form MnGdEr5Mn6 cuboctahedra that share corners with two equivalent Mn(2)Er6Mn6 cuboctahedra, corners with two equivalent Mn(1)Gd3Er3Mn6 cuboctahedra, corners with four equivalent Mn(4)GdEr5Mn6 cuboctahedra, corners with ten equivalent Mn(3)Gd2Er4Mn6 cuboctahedra, edges with two equivalent Mn(4)GdEr5Mn6 cuboctahedra, edges with four equivalent Mn(3)Gd2Er4Mn6 cuboctahedra, faces with three equivalent Mn(2)Er6Mn6 cuboctahedra, faces with three equivalent Mn(1)Gd3Er3Mn6 cuboctahedra, faces with four equivalent Mn(3)Gd2Er4Mn6 cuboctahedra, and faces with eight equivalent Mn(4)GdEr5Mn6 cuboctahedra. is represented by the CIF file [CIF]
data_GdEr3Mn8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.892
_cell_length_b   4.892
_cell_length_c   7.914
_cell_angle_alpha   89.599
_cell_angle_beta   90.401
_cell_angle_gamma   120.017
_symmetry_Int_Tables_number   1
_cell_volume   164.014
_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
  Gd  Gd0  1  0.667  0.333  0.563  1.0
  Er  Er1  1  0.333  0.667  0.437  1.0
  Er  Er2  1  0.333  0.667  0.063  1.0
  Er  Er3  1  0.667  0.333  0.937  1.0
  Mn  Mn4  1  0.000  1.000  0.500  1.0
  Mn  Mn5  1  1.000  0.000  0.001  1.0
  Mn  Mn6  1  0.168  0.337  0.751  1.0
  Mn  Mn7  1  0.168  0.832  0.751  1.0
  Mn  Mn8  1  0.663  0.832  0.751  1.0
  Mn  Mn9  1  0.831  0.663  0.249  1.0
  Mn  Mn10  1  0.831  0.169  0.249  1.0
  Mn  Mn11  1  0.337  0.169  0.249  1.0
[/CIF]
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The crystal structure described by Er3GdMn8 is Hexagonal Laves-derived structured and crystallizes in the trigonal P3m1 space group. There are three inequivalent Er sites. In the first Er site, Er(1) is bonded in a 16-coordinate geometry to one Er(2), three equivalent Gd(1), three equivalent Mn(1), three equivalent Mn(3), and six equivalent Mn(4) atoms. In the second Er site, Er(2) is bonded in a 16-coordinate geometry to one Er(1), three equivalent Er(3), three equivalent Mn(2), three equivalent Mn(3), and six equivalent Mn(4) atoms. In the third Er site, Er(3) is bonded in a 16-coordinate geometry to three equivalent Er(2), one Gd(1), three equivalent Mn(2), three equivalent Mn(4), and six equivalent Mn(3) atoms. Gd(1) is bonded in a 16-coordinate geometry to one Er(3), three equivalent Er(1), three equivalent Mn(1), three equivalent Mn(4), and six equivalent Mn(3) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent Er(1), three equivalent Gd(1), three equivalent Mn(3), and three equivalent Mn(4) atoms to form MnGd3Er3Mn6 cuboctahedra that share corners with six equivalent Mn(3)Gd2Er4Mn6 cuboctahedra, corners with six equivalent Mn(4)GdEr5Mn6 cuboctahedra, edges with six equivalent Mn(1)Gd3Er3Mn6 cuboctahedra, faces with two equivalent Mn(2)Er6Mn6 cuboctahedra, faces with nine equivalent Mn(3)Gd2Er4Mn6 cuboctahedra, and faces with nine equivalent Mn(4)GdEr5Mn6 cuboctahedra. In the second Mn site, Mn(2) is bonded to three equivalent Er(2), three equivalent Er(3), three equivalent Mn(3), and three equivalent Mn(4) atoms to form MnEr6Mn6 cuboctahedra that share corners with six equivalent Mn(3)Gd2Er4Mn6 cuboctahedra, corners with six equivalent Mn(4)GdEr5Mn6 cuboctahedra, edges with six equivalent Mn(2)Er6Mn6 cuboctahedra, faces with two equivalent Mn(1)Gd3Er3Mn6 cuboctahedra, faces with nine equivalent Mn(3)Gd2Er4Mn6 cuboctahedra, and faces with nine equivalent Mn(4)GdEr5Mn6 cuboctahedra. In the third Mn site, Mn(3) is bonded to one Er(1), one Er(2), two equivalent Er(3), two equivalent Gd(1), one Mn(1), one Mn(2), and four equivalent Mn(3) atoms to form MnGd2Er4Mn6 cuboctahedra that share corners with two equivalent Mn(2)Er6Mn6 cuboctahedra, corners with two equivalent Mn(1)Gd3Er3Mn6 cuboctahedra, corners with four equivalent Mn(3)Gd2Er4Mn6 cuboctahedra, corners with ten equivalent Mn(4)GdEr5Mn6 cuboctahedra, edges with two equivalent Mn(3)Gd2Er4Mn6 cuboctahedra, edges with four equivalent Mn(4)GdEr5Mn6 cuboctahedra, faces with three equivalent Mn(2)Er6Mn6 cuboctahedra, faces with three equivalent Mn(1)Gd3Er3Mn6 cuboctahedra, faces with four equivalent Mn(4)GdEr5Mn6 cuboctahedra, and faces with eight equivalent Mn(3)Gd2Er4Mn6 cuboctahedra. In the fourth Mn site, Mn(4) is bonded to one Er(3), two equivalent Er(1), two equivalent Er(2), one Gd(1), one Mn(1), one Mn(2), and four equivalent Mn(4) atoms to form MnGdEr5Mn6 cuboctahedra that share corners with two equivalent Mn(2)Er6Mn6 cuboctahedra, corners with two equivalent Mn(1)Gd3Er3Mn6 cuboctahedra, corners with four equivalent Mn(4)GdEr5Mn6 cuboctahedra, corners with ten equivalent Mn(3)Gd2Er4Mn6 cuboctahedra, edges with two equivalent Mn(4)GdEr5Mn6 cuboctahedra, edges with four equivalent Mn(3)Gd2Er4Mn6 cuboctahedra, faces with three equivalent Mn(2)Er6Mn6 cuboctahedra, faces with three equivalent Mn(1)Gd3Er3Mn6 cuboctahedra, faces with four equivalent Mn(3)Gd2Er4Mn6 cuboctahedra, and faces with eight equivalent Mn(4)GdEr5Mn6 cuboctahedra. is represented by the CIF file [CIF]
data_GdEr3Mn8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.892
_cell_length_b   4.892
_cell_length_c   7.914
_cell_angle_alpha   89.599
_cell_angle_beta   90.401
_cell_angle_gamma   120.017
_symmetry_Int_Tables_number   1
_cell_volume   164.014
_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
  Gd  Gd0  1  0.667  0.333  0.563  1.0
  Er  Er1  1  0.333  0.667  0.437  1.0
  Er  Er2  1  0.333  0.667  0.063  1.0
  Er  Er3  1  0.667  0.333  0.937  1.0
  Mn  Mn4  1  0.000  1.000  0.500  1.0
  Mn  Mn5  1  1.000  0.000  0.001  1.0
  Mn  Mn6  1  0.168  0.337  0.751  1.0
  Mn  Mn7  1  0.168  0.832  0.751  1.0
  Mn  Mn8  1  0.663  0.832  0.751  1.0
  Mn  Mn9  1  0.831  0.663  0.249  1.0
  Mn  Mn10  1  0.831  0.169  0.249  1.0
  Mn  Mn11  1  0.337  0.169  0.249  1.0
[/CIF]
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