The material structure described by Mg(ScSe2)2 is Spinel structured and crystallizes in the cubic Fd-3m space group. Mg(1) is bonded to four equivalent Se(1) atoms to form MgSe4 tetrahedra that share corners with twelve equivalent Sc(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 57°. Sc(1) is bonded to six equivalent Se(1) atoms to form ScSe6 octahedra that share corners with six equivalent Mg(1)Se4 tetrahedra and edges with six equivalent Sc(1)Se6 octahedra. Se(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1) and three equivalent Sc(1) atoms. is represented by the CIF card [CIF]
data_Mg(ScSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.907
_cell_length_b   7.907
_cell_length_c   7.907
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   349.578
_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  0.375  0.375  0.375  1.0
  Mg  Mg1  1  0.625  0.625  0.625  1.0
  Sc  Sc2  1  0.000  0.000  0.500  1.0
  Sc  Sc3  1  0.000  0.500  0.000  1.0
  Sc  Sc4  1  0.500  0.000  0.000  1.0
  Sc  Sc5  1  0.000  0.000  0.000  1.0
  Se  Se6  1  0.243  0.243  0.772  1.0
  Se  Se7  1  0.243  0.772  0.243  1.0
  Se  Se8  1  0.772  0.243  0.243  1.0
  Se  Se9  1  0.243  0.243  0.243  1.0
  Se  Se10  1  0.757  0.757  0.228  1.0
  Se  Se11  1  0.757  0.228  0.757  1.0
  Se  Se12  1  0.228  0.757  0.757  1.0
  Se  Se13  1  0.757  0.757  0.757  1.0
[/CIF]
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The material structure described by Mg(ScSe2)2 is Spinel structured and crystallizes in the cubic Fd-3m space group. Mg(1) is bonded to four equivalent Se(1) atoms to form MgSe4 tetrahedra that share corners with twelve equivalent Sc(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 57°. Sc(1) is bonded to six equivalent Se(1) atoms to form ScSe6 octahedra that share corners with six equivalent Mg(1)Se4 tetrahedra and edges with six equivalent Sc(1)Se6 octahedra. Se(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1) and three equivalent Sc(1) atoms. is represented by the CIF card [CIF]
data_Mg(ScSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.907
_cell_length_b   7.907
_cell_length_c   7.907
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   349.578
_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  0.375  0.375  0.375  1.0
  Mg  Mg1  1  0.625  0.625  0.625  1.0
  Sc  Sc2  1  0.000  0.000  0.500  1.0
  Sc  Sc3  1  0.000  0.500  0.000  1.0
  Sc  Sc4  1  0.500  0.000  0.000  1.0
  Sc  Sc5  1  0.000  0.000  0.000  1.0
  Se  Se6  1  0.243  0.243  0.772  1.0
  Se  Se7  1  0.243  0.772  0.243  1.0
  Se  Se8  1  0.772  0.243  0.243  1.0
  Se  Se9  1  0.243  0.243  0.243  1.0
  Se  Se10  1  0.757  0.757  0.228  1.0
  Se  Se11  1  0.757  0.228  0.757  1.0
  Se  Se12  1  0.228  0.757  0.757  1.0
  Se  Se13  1  0.757  0.757  0.757  1.0
[/CIF]
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