The material described by Mg(ScSe2)2 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a rectangular see-saw-like geometry to one Se(2), one Se(3), and two equivalent Se(1) atoms. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one Se(2), two equivalent Se(1), and two equivalent Se(3) atoms to form ScSe5 trigonal bipyramids that share corners with four equivalent Sc(2)Se6 pentagonal pyramids, corners with two equivalent Sc(1)Se5 trigonal bipyramids, and  a faceface with one Sc(2)Se6 pentagonal pyramid. In the second Sc site, Sc(2) is bonded to one Se(2), one Se(3), and four equivalent Se(1) atoms to form distorted ScSe6 pentagonal pyramids that share corners with four equivalent Sc(1)Se5 trigonal bipyramids, edges with two equivalent Sc(2)Se6 pentagonal pyramids, and  a faceface with one Sc(1)Se5 trigonal bipyramid. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to one Mg(1), one Sc(1), and two equivalent Sc(2) atoms to form a mixture of distorted corner and edge-sharing SeMgSc3 trigonal pyramids. In the second Se site, Se(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Sc(1), and one Sc(2) atom. In the third Se site, Se(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Sc(2), and two 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   8.169
_cell_length_b   7.718
_cell_length_c   11.320
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   713.747
_cell_formula_units_Z   4
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  0.171  0.250  0.397  1.0
  Mg  Mg1  1  0.829  0.750  0.603  1.0
  Mg  Mg2  1  0.329  0.750  0.897  1.0
  Mg  Mg3  1  0.671  0.250  0.103  1.0
  Sc  Sc4  1  0.001  0.750  0.294  1.0
  Sc  Sc5  1  0.999  0.250  0.706  1.0
  Sc  Sc6  1  0.499  0.250  0.794  1.0
  Sc  Sc7  1  0.501  0.750  0.206  1.0
  Sc  Sc8  1  0.062  0.250  0.010  1.0
  Sc  Sc9  1  0.938  0.750  0.990  1.0
  Sc  Sc10  1  0.438  0.750  0.510  1.0
  Sc  Sc11  1  0.562  0.250  0.490  1.0
  Se  Se12  1  0.098  0.524  0.842  1.0
  Se  Se13  1  0.902  0.476  0.158  1.0
  Se  Se14  1  0.402  0.476  0.342  1.0
  Se  Se15  1  0.598  0.524  0.658  1.0
  Se  Se16  1  0.598  0.976  0.658  1.0
  Se  Se17  1  0.402  0.024  0.342  1.0
  Se  Se18  1  0.902  0.024  0.158  1.0
  Se  Se19  1  0.098  0.976  0.842  1.0
  Se  Se20  1  0.885  0.250  0.489  1.0
  Se  Se21  1  0.115  0.750  0.511  1.0
  Se  Se22  1  0.615  0.750  0.989  1.0
  Se  Se23  1  0.385  0.250  0.011  1.0
  Se  Se24  1  0.214  0.750  0.118  1.0
  Se  Se25  1  0.786  0.250  0.882  1.0
  Se  Se26  1  0.286  0.250  0.618  1.0
  Se  Se27  1  0.714  0.750  0.382  1.0
[/CIF]
.
The material described by Mg(ScSe2)2 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a rectangular see-saw-like geometry to one Se(2), one Se(3), and two equivalent Se(1) atoms. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one Se(2), two equivalent Se(1), and two equivalent Se(3) atoms to form ScSe5 trigonal bipyramids that share corners with four equivalent Sc(2)Se6 pentagonal pyramids, corners with two equivalent Sc(1)Se5 trigonal bipyramids, and  a faceface with one Sc(2)Se6 pentagonal pyramid. In the second Sc site, Sc(2) is bonded to one Se(2), one Se(3), and four equivalent Se(1) atoms to form distorted ScSe6 pentagonal pyramids that share corners with four equivalent Sc(1)Se5 trigonal bipyramids, edges with two equivalent Sc(2)Se6 pentagonal pyramids, and  a faceface with one Sc(1)Se5 trigonal bipyramid. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to one Mg(1), one Sc(1), and two equivalent Sc(2) atoms to form a mixture of distorted corner and edge-sharing SeMgSc3 trigonal pyramids. In the second Se site, Se(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Sc(1), and one Sc(2) atom. In the third Se site, Se(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Sc(2), and two 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   8.169
_cell_length_b   7.718
_cell_length_c   11.320
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   713.747
_cell_formula_units_Z   4
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  0.171  0.250  0.397  1.0
  Mg  Mg1  1  0.829  0.750  0.603  1.0
  Mg  Mg2  1  0.329  0.750  0.897  1.0
  Mg  Mg3  1  0.671  0.250  0.103  1.0
  Sc  Sc4  1  0.001  0.750  0.294  1.0
  Sc  Sc5  1  0.999  0.250  0.706  1.0
  Sc  Sc6  1  0.499  0.250  0.794  1.0
  Sc  Sc7  1  0.501  0.750  0.206  1.0
  Sc  Sc8  1  0.062  0.250  0.010  1.0
  Sc  Sc9  1  0.938  0.750  0.990  1.0
  Sc  Sc10  1  0.438  0.750  0.510  1.0
  Sc  Sc11  1  0.562  0.250  0.490  1.0
  Se  Se12  1  0.098  0.524  0.842  1.0
  Se  Se13  1  0.902  0.476  0.158  1.0
  Se  Se14  1  0.402  0.476  0.342  1.0
  Se  Se15  1  0.598  0.524  0.658  1.0
  Se  Se16  1  0.598  0.976  0.658  1.0
  Se  Se17  1  0.402  0.024  0.342  1.0
  Se  Se18  1  0.902  0.024  0.158  1.0
  Se  Se19  1  0.098  0.976  0.842  1.0
  Se  Se20  1  0.885  0.250  0.489  1.0
  Se  Se21  1  0.115  0.750  0.511  1.0
  Se  Se22  1  0.615  0.750  0.989  1.0
  Se  Se23  1  0.385  0.250  0.011  1.0
  Se  Se24  1  0.214  0.750  0.118  1.0
  Se  Se25  1  0.786  0.250  0.882  1.0
  Se  Se26  1  0.286  0.250  0.618  1.0
  Se  Se27  1  0.714  0.750  0.382  1.0
[/CIF]
.