The compound described by MgSm2Se4 crystallizes in the tetragonal I-42d space group. Mg(1) is bonded in a distorted square co-planar geometry to eight equivalent Se(1) atoms. Sm(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 Sm(1) atoms. is represented by the CIF card [CIF]
data_Sm2MgSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.647
_cell_length_b   7.647
_cell_length_c   7.647
_cell_angle_alpha   110.754
_cell_angle_beta   110.754
_cell_angle_gamma   106.934
_symmetry_Int_Tables_number   1
_cell_volume   343.678
_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
  Sm  Sm0  1  0.875  0.756  0.381  1.0
  Sm  Sm1  1  0.506  0.125  0.881  1.0
  Sm  Sm2  1  0.375  0.494  0.619  1.0
  Sm  Sm3  1  0.244  0.625  0.119  1.0
  Mg  Mg4  1  0.000  0.000  0.000  1.0
  Mg  Mg5  1  0.750  0.250  0.500  1.0
  Se  Se6  1  0.507  0.377  0.265  1.0
  Se  Se7  1  0.758  0.493  0.870  1.0
  Se  Se8  1  0.112  0.242  0.735  1.0
  Se  Se9  1  0.623  0.888  0.130  1.0
  Se  Se10  1  0.243  0.008  0.370  1.0
  Se  Se11  1  0.992  0.362  0.235  1.0
  Se  Se12  1  0.638  0.873  0.630  1.0
  Se  Se13  1  0.127  0.757  0.765  1.0
[/CIF]
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The compound described by MgSm2Se4 crystallizes in the tetragonal I-42d space group. Mg(1) is bonded in a distorted square co-planar geometry to eight equivalent Se(1) atoms. Sm(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 Sm(1) atoms. is represented by the CIF card [CIF]
data_Sm2MgSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.647
_cell_length_b   7.647
_cell_length_c   7.647
_cell_angle_alpha   110.754
_cell_angle_beta   110.754
_cell_angle_gamma   106.934
_symmetry_Int_Tables_number   1
_cell_volume   343.678
_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
  Sm  Sm0  1  0.875  0.756  0.381  1.0
  Sm  Sm1  1  0.506  0.125  0.881  1.0
  Sm  Sm2  1  0.375  0.494  0.619  1.0
  Sm  Sm3  1  0.244  0.625  0.119  1.0
  Mg  Mg4  1  0.000  0.000  0.000  1.0
  Mg  Mg5  1  0.750  0.250  0.500  1.0
  Se  Se6  1  0.507  0.377  0.265  1.0
  Se  Se7  1  0.758  0.493  0.870  1.0
  Se  Se8  1  0.112  0.242  0.735  1.0
  Se  Se9  1  0.623  0.888  0.130  1.0
  Se  Se10  1  0.243  0.008  0.370  1.0
  Se  Se11  1  0.992  0.362  0.235  1.0
  Se  Se12  1  0.638  0.873  0.630  1.0
  Se  Se13  1  0.127  0.757  0.765  1.0
[/CIF]
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