The material described by Mg(ScSe2)2 crystallizes in the tetragonal I-42d space group. Mg(1) is bonded in a 4-coordinate geometry to eight equivalent Se(1) atoms. Sc(1) is bonded in a 8-coordinate geometry to eight equivalent Se(1) atoms. Se(1) is bonded in a 6-coordinate geometry to two equivalent Mg(1) and four equivalent Sc(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(ScSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.327
_cell_length_b   7.327
_cell_length_c   7.327
_cell_angle_alpha   110.081
_cell_angle_beta   110.081
_cell_angle_gamma   108.259
_symmetry_Int_Tables_number   1
_cell_volume   302.685
_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
  Sc  Sc2  1  0.875  0.758  0.383  1.0
  Sc  Sc3  1  0.508  0.125  0.883  1.0
  Sc  Sc4  1  0.375  0.492  0.617  1.0
  Sc  Sc5  1  0.242  0.625  0.117  1.0
  Se  Se6  1  0.520  0.384  0.257  1.0
  Se  Se7  1  0.737  0.480  0.864  1.0
  Se  Se8  1  0.126  0.263  0.743  1.0
  Se  Se9  1  0.616  0.874  0.136  1.0
  Se  Se10  1  0.230  0.987  0.364  1.0
  Se  Se11  1  0.013  0.376  0.243  1.0
  Se  Se12  1  0.624  0.866  0.636  1.0
  Se  Se13  1  0.134  0.770  0.757  1.0
[/CIF]
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The material described by Mg(ScSe2)2 crystallizes in the tetragonal I-42d space group. Mg(1) is bonded in a 4-coordinate geometry to eight equivalent Se(1) atoms. Sc(1) is bonded in a 8-coordinate geometry to eight equivalent Se(1) atoms. Se(1) is bonded in a 6-coordinate geometry to two equivalent Mg(1) and four equivalent Sc(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(ScSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.327
_cell_length_b   7.327
_cell_length_c   7.327
_cell_angle_alpha   110.081
_cell_angle_beta   110.081
_cell_angle_gamma   108.259
_symmetry_Int_Tables_number   1
_cell_volume   302.685
_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
  Sc  Sc2  1  0.875  0.758  0.383  1.0
  Sc  Sc3  1  0.508  0.125  0.883  1.0
  Sc  Sc4  1  0.375  0.492  0.617  1.0
  Sc  Sc5  1  0.242  0.625  0.117  1.0
  Se  Se6  1  0.520  0.384  0.257  1.0
  Se  Se7  1  0.737  0.480  0.864  1.0
  Se  Se8  1  0.126  0.263  0.743  1.0
  Se  Se9  1  0.616  0.874  0.136  1.0
  Se  Se10  1  0.230  0.987  0.364  1.0
  Se  Se11  1  0.013  0.376  0.243  1.0
  Se  Se12  1  0.624  0.866  0.636  1.0
  Se  Se13  1  0.134  0.770  0.757  1.0
[/CIF]
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