The material described by MgSb is Tungsten Carbide-like structured and crystallizes in the orthorhombic Pmmn space group. Mg(1) is bonded to six equivalent Sb(1) atoms to form a mixture of distorted corner and edge-sharing MgSb6 octahedra. The corner-sharing octahedral tilt angles range from 0-44°. Sb(1) is bonded to six equivalent Mg(1) atoms to form a mixture of distorted corner and edge-sharing SbMg6 octahedra. The corner-sharing octahedral tilt angles range from 0-44°. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.983
_cell_length_b   4.515
_cell_length_c   5.632
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   101.265
_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  0.500  0.625  0.000  1.0
  Mg  Mg1  1  0.000  0.375  0.500  1.0
  Sb  Sb2  1  0.000  0.124  0.000  1.0
  Sb  Sb3  1  0.500  0.876  0.500  1.0
[/CIF]
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The material described by MgSb is Tungsten Carbide-like structured and crystallizes in the orthorhombic Pmmn space group. Mg(1) is bonded to six equivalent Sb(1) atoms to form a mixture of distorted corner and edge-sharing MgSb6 octahedra. The corner-sharing octahedral tilt angles range from 0-44°. Sb(1) is bonded to six equivalent Mg(1) atoms to form a mixture of distorted corner and edge-sharing SbMg6 octahedra. The corner-sharing octahedral tilt angles range from 0-44°. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.983
_cell_length_b   4.515
_cell_length_c   5.632
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   101.265
_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  0.500  0.625  0.000  1.0
  Mg  Mg1  1  0.000  0.375  0.500  1.0
  Sb  Sb2  1  0.000  0.124  0.000  1.0
  Sb  Sb3  1  0.500  0.876  0.500  1.0
[/CIF]
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