The compound described by MgSrSi is half-Heusler structured and crystallizes in the cubic F-43m space group. Sr(1) is bonded in a body-centered cubic geometry to four equivalent Mg(1) and four equivalent Si(1) atoms. Mg(1) is bonded to four equivalent Sr(1) atoms to form MgSr4 tetrahedra that share corners with four equivalent Si(1)Sr4 tetrahedra, corners with twelve equivalent Mg(1)Sr4 tetrahedra, and edges with six equivalent Si(1)Sr4 tetrahedra. Si(1) is bonded to four equivalent Sr(1) atoms to form SiSr4 tetrahedra that share corners with four equivalent Mg(1)Sr4 tetrahedra, corners with twelve equivalent Si(1)Sr4 tetrahedra, and edges with six equivalent Mg(1)Sr4 tetrahedra. is represented by the CIF file [CIF]
data_SrMgSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.107
_cell_length_b   5.107
_cell_length_c   5.107
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   94.185
_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
  Sr  Sr0  1  0.750  0.750  0.750  1.0
  Mg  Mg1  1  0.000  0.000  0.000  1.0
  Si  Si2  1  0.500  0.500  0.500  1.0
[/CIF]
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The compound described by MgSrSi is half-Heusler structured and crystallizes in the cubic F-43m space group. Sr(1) is bonded in a body-centered cubic geometry to four equivalent Mg(1) and four equivalent Si(1) atoms. Mg(1) is bonded to four equivalent Sr(1) atoms to form MgSr4 tetrahedra that share corners with four equivalent Si(1)Sr4 tetrahedra, corners with twelve equivalent Mg(1)Sr4 tetrahedra, and edges with six equivalent Si(1)Sr4 tetrahedra. Si(1) is bonded to four equivalent Sr(1) atoms to form SiSr4 tetrahedra that share corners with four equivalent Mg(1)Sr4 tetrahedra, corners with twelve equivalent Si(1)Sr4 tetrahedra, and edges with six equivalent Mg(1)Sr4 tetrahedra. is represented by the CIF file [CIF]
data_SrMgSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.107
_cell_length_b   5.107
_cell_length_c   5.107
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   94.185
_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
  Sr  Sr0  1  0.750  0.750  0.750  1.0
  Mg  Mg1  1  0.000  0.000  0.000  1.0
  Si  Si2  1  0.500  0.500  0.500  1.0
[/CIF]
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