The material described by MgSiSb2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Mg(1) is bonded to four equivalent Sb(1) atoms to form MgSb4 tetrahedra that share corners with four equivalent Mg(1)Sb4 tetrahedra and corners with eight equivalent Si(1)Sb4 tetrahedra. Si(1) is bonded to four equivalent Sb(1) atoms to form SiSb4 tetrahedra that share corners with four equivalent Si(1)Sb4 tetrahedra and corners with eight equivalent Mg(1)Sb4 tetrahedra. Sb(1) is bonded to two equivalent Mg(1) and two equivalent Si(1) atoms to form corner-sharing SbMg2Si2 tetrahedra. is represented by the CIF file [CIF]
data_MgSiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.512
_cell_length_b   7.512
_cell_length_c   7.512
_cell_angle_alpha   129.197
_cell_angle_beta   129.197
_cell_angle_gamma   74.694
_symmetry_Int_Tables_number   1
_cell_volume   248.003
_cell_formula_units_Z   2
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  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.750  0.250  0.500  1.0
  Si  Si2  1  0.500  0.500  0.000  1.0
  Si  Si3  1  0.250  0.750  0.500  1.0
  Sb  Sb4  1  0.875  0.405  0.030  1.0
  Sb  Sb5  1  0.375  0.845  0.970  1.0
  Sb  Sb6  1  0.155  0.125  0.530  1.0
  Sb  Sb7  1  0.595  0.625  0.470  1.0
[/CIF]
.
The material described by MgSiSb2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Mg(1) is bonded to four equivalent Sb(1) atoms to form MgSb4 tetrahedra that share corners with four equivalent Mg(1)Sb4 tetrahedra and corners with eight equivalent Si(1)Sb4 tetrahedra. Si(1) is bonded to four equivalent Sb(1) atoms to form SiSb4 tetrahedra that share corners with four equivalent Si(1)Sb4 tetrahedra and corners with eight equivalent Mg(1)Sb4 tetrahedra. Sb(1) is bonded to two equivalent Mg(1) and two equivalent Si(1) atoms to form corner-sharing SbMg2Si2 tetrahedra. is represented by the CIF file [CIF]
data_MgSiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.512
_cell_length_b   7.512
_cell_length_c   7.512
_cell_angle_alpha   129.197
_cell_angle_beta   129.197
_cell_angle_gamma   74.694
_symmetry_Int_Tables_number   1
_cell_volume   248.003
_cell_formula_units_Z   2
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  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.750  0.250  0.500  1.0
  Si  Si2  1  0.500  0.500  0.000  1.0
  Si  Si3  1  0.250  0.750  0.500  1.0
  Sb  Sb4  1  0.875  0.405  0.030  1.0
  Sb  Sb5  1  0.375  0.845  0.970  1.0
  Sb  Sb6  1  0.155  0.125  0.530  1.0
  Sb  Sb7  1  0.595  0.625  0.470  1.0
[/CIF]
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