The material described by Mg3Te crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a square co-planar geometry to eight equivalent Mg(2) and four equivalent Te(1) atoms. In the second Mg site, Mg(2) is bonded to four equivalent Mg(1), four equivalent Mg(2), and four equivalent Te(1) atoms to form distorted MgMg8Te4 cuboctahedra that share corners with twelve equivalent Mg(2)Mg8Te4 cuboctahedra, edges with eight equivalent Mg(2)Mg8Te4 cuboctahedra, edges with eight equivalent Te(1)Mg12 cuboctahedra, faces with four equivalent Te(1)Mg12 cuboctahedra, and faces with ten equivalent Mg(2)Mg8Te4 cuboctahedra. Te(1) is bonded to four equivalent Mg(1) and eight equivalent Mg(2) atoms to form distorted TeMg12 cuboctahedra that share corners with four equivalent Te(1)Mg12 cuboctahedra, edges with eight equivalent Te(1)Mg12 cuboctahedra, edges with sixteen equivalent Mg(2)Mg8Te4 cuboctahedra, faces with four equivalent Te(1)Mg12 cuboctahedra, and faces with eight equivalent Mg(2)Mg8Te4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg3Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.088
_cell_length_b   6.088
_cell_length_c   6.088
_cell_angle_alpha   138.850
_cell_angle_beta   138.850
_cell_angle_gamma   59.603
_symmetry_Int_Tables_number   1
_cell_volume   96.709
_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  0.500  0.500  0.000  1.0
  Mg  Mg1  1  0.750  0.250  0.500  1.0
  Mg  Mg2  1  0.250  0.750  0.500  1.0
  Te  Te3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Mg3Te crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a square co-planar geometry to eight equivalent Mg(2) and four equivalent Te(1) atoms. In the second Mg site, Mg(2) is bonded to four equivalent Mg(1), four equivalent Mg(2), and four equivalent Te(1) atoms to form distorted MgMg8Te4 cuboctahedra that share corners with twelve equivalent Mg(2)Mg8Te4 cuboctahedra, edges with eight equivalent Mg(2)Mg8Te4 cuboctahedra, edges with eight equivalent Te(1)Mg12 cuboctahedra, faces with four equivalent Te(1)Mg12 cuboctahedra, and faces with ten equivalent Mg(2)Mg8Te4 cuboctahedra. Te(1) is bonded to four equivalent Mg(1) and eight equivalent Mg(2) atoms to form distorted TeMg12 cuboctahedra that share corners with four equivalent Te(1)Mg12 cuboctahedra, edges with eight equivalent Te(1)Mg12 cuboctahedra, edges with sixteen equivalent Mg(2)Mg8Te4 cuboctahedra, faces with four equivalent Te(1)Mg12 cuboctahedra, and faces with eight equivalent Mg(2)Mg8Te4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg3Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.088
_cell_length_b   6.088
_cell_length_c   6.088
_cell_angle_alpha   138.850
_cell_angle_beta   138.850
_cell_angle_gamma   59.603
_symmetry_Int_Tables_number   1
_cell_volume   96.709
_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  0.500  0.500  0.000  1.0
  Mg  Mg1  1  0.750  0.250  0.500  1.0
  Mg  Mg2  1  0.250  0.750  0.500  1.0
  Te  Te3  1  0.000  0.000  0.000  1.0
[/CIF]
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