The material described by Mg5Te crystallizes in the trigonal R32 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four equivalent Mg(2), six equivalent Mg(1), and two equivalent Te(1) atoms to form distorted MgMg10Te2 cuboctahedra that share corners with eighteen equivalent Mg(1)Mg10Te2 cuboctahedra, edges with four equivalent Te(1)Mg12 cuboctahedra, edges with six equivalent Mg(1)Mg10Te2 cuboctahedra, faces with four equivalent Te(1)Mg12 cuboctahedra, and faces with eight equivalent Mg(1)Mg10Te2 cuboctahedra. In the second Mg site, Mg(2) is bonded in a distorted trigonal planar geometry to six equivalent Mg(1) and three equivalent Te(1) atoms. Te(1) is bonded to six equivalent Mg(1) and six equivalent Mg(2) atoms to form TeMg12 cuboctahedra that share corners with six equivalent Te(1)Mg12 cuboctahedra, edges with six equivalent Te(1)Mg12 cuboctahedra, edges with twelve equivalent Mg(1)Mg10Te2 cuboctahedra, and faces with twelve equivalent Mg(1)Mg10Te2 cuboctahedra. is represented by the CIF card [CIF]
data_Mg5Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.189
_cell_length_b   6.189
_cell_length_c   6.189
_cell_angle_alpha   53.568
_cell_angle_beta   53.568
_cell_angle_gamma   53.568
_symmetry_Int_Tables_number   1
_cell_volume   142.393
_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
  Mg  Mg0  1  0.668  0.332  0.000  1.0
  Mg  Mg1  1  0.000  0.668  0.332  1.0
  Mg  Mg2  1  0.332  0.000  0.668  1.0
  Mg  Mg3  1  0.830  0.830  0.830  1.0
  Mg  Mg4  1  0.170  0.170  0.170  1.0
  Te  Te5  1  0.500  0.500  0.500  1.0
[/CIF]
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The material described by Mg5Te crystallizes in the trigonal R32 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four equivalent Mg(2), six equivalent Mg(1), and two equivalent Te(1) atoms to form distorted MgMg10Te2 cuboctahedra that share corners with eighteen equivalent Mg(1)Mg10Te2 cuboctahedra, edges with four equivalent Te(1)Mg12 cuboctahedra, edges with six equivalent Mg(1)Mg10Te2 cuboctahedra, faces with four equivalent Te(1)Mg12 cuboctahedra, and faces with eight equivalent Mg(1)Mg10Te2 cuboctahedra. In the second Mg site, Mg(2) is bonded in a distorted trigonal planar geometry to six equivalent Mg(1) and three equivalent Te(1) atoms. Te(1) is bonded to six equivalent Mg(1) and six equivalent Mg(2) atoms to form TeMg12 cuboctahedra that share corners with six equivalent Te(1)Mg12 cuboctahedra, edges with six equivalent Te(1)Mg12 cuboctahedra, edges with twelve equivalent Mg(1)Mg10Te2 cuboctahedra, and faces with twelve equivalent Mg(1)Mg10Te2 cuboctahedra. is represented by the CIF card [CIF]
data_Mg5Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.189
_cell_length_b   6.189
_cell_length_c   6.189
_cell_angle_alpha   53.568
_cell_angle_beta   53.568
_cell_angle_gamma   53.568
_symmetry_Int_Tables_number   1
_cell_volume   142.393
_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
  Mg  Mg0  1  0.668  0.332  0.000  1.0
  Mg  Mg1  1  0.000  0.668  0.332  1.0
  Mg  Mg2  1  0.332  0.000  0.668  1.0
  Mg  Mg3  1  0.830  0.830  0.830  1.0
  Mg  Mg4  1  0.170  0.170  0.170  1.0
  Te  Te5  1  0.500  0.500  0.500  1.0
[/CIF]
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