The material described by Mg(InSe2)2 crystallizes in the tetragonal I-42d space group. Mg(1) is bonded to four equivalent Se(1) atoms to form distorted MgSe4 trigonal pyramids that share corners with eight equivalent In(1)Se4 tetrahedra. In(1) is bonded to four equivalent Se(1) atoms to form distorted InSe4 tetrahedra that share corners with four equivalent In(1)Se4 tetrahedra and corners with four equivalent Mg(1)Se4 trigonal pyramids. Se(1) is bonded in a trigonal non-coplanar geometry to one Mg(1) and two equivalent In(1) atoms. is represented by the CIF file [CIF]
data_Mg(InSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.042
_cell_length_b   8.042
_cell_length_c   8.042
_cell_angle_alpha   107.730
_cell_angle_beta   107.730
_cell_angle_gamma   113.013
_symmetry_Int_Tables_number   1
_cell_volume   399.167
_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  0.250  0.750  0.500  1.0
  In  In2  1  0.747  0.875  0.372  1.0
  In  In3  1  0.125  0.497  0.872  1.0
  In  In4  1  0.503  0.375  0.628  1.0
  In  In5  1  0.625  0.253  0.128  1.0
  Se  Se6  1  0.358  0.600  0.243  1.0
  Se  Se7  1  0.400  0.643  0.758  1.0
  Se  Se8  1  0.357  0.115  0.757  1.0
  Se  Se9  1  0.885  0.642  0.242  1.0
  Se  Se10  1  0.893  0.150  0.258  1.0
  Se  Se11  1  0.365  0.107  0.257  1.0
  Se  Se12  1  0.892  0.635  0.742  1.0
  Se  Se13  1  0.850  0.108  0.743  1.0
[/CIF]
.
The material described by Mg(InSe2)2 crystallizes in the tetragonal I-42d space group. Mg(1) is bonded to four equivalent Se(1) atoms to form distorted MgSe4 trigonal pyramids that share corners with eight equivalent In(1)Se4 tetrahedra. In(1) is bonded to four equivalent Se(1) atoms to form distorted InSe4 tetrahedra that share corners with four equivalent In(1)Se4 tetrahedra and corners with four equivalent Mg(1)Se4 trigonal pyramids. Se(1) is bonded in a trigonal non-coplanar geometry to one Mg(1) and two equivalent In(1) atoms. is represented by the CIF file [CIF]
data_Mg(InSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.042
_cell_length_b   8.042
_cell_length_c   8.042
_cell_angle_alpha   107.730
_cell_angle_beta   107.730
_cell_angle_gamma   113.013
_symmetry_Int_Tables_number   1
_cell_volume   399.167
_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  0.250  0.750  0.500  1.0
  In  In2  1  0.747  0.875  0.372  1.0
  In  In3  1  0.125  0.497  0.872  1.0
  In  In4  1  0.503  0.375  0.628  1.0
  In  In5  1  0.625  0.253  0.128  1.0
  Se  Se6  1  0.358  0.600  0.243  1.0
  Se  Se7  1  0.400  0.643  0.758  1.0
  Se  Se8  1  0.357  0.115  0.757  1.0
  Se  Se9  1  0.885  0.642  0.242  1.0
  Se  Se10  1  0.893  0.150  0.258  1.0
  Se  Se11  1  0.365  0.107  0.257  1.0
  Se  Se12  1  0.892  0.635  0.742  1.0
  Se  Se13  1  0.850  0.108  0.743  1.0
[/CIF]
.