The compound described by MgYbSe3 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form distorted edge-sharing MgSe6 pentagonal pyramids. Yb(1) is bonded in a 8-coordinate geometry to two equivalent Se(2) and six equivalent Se(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to two equivalent Mg(1) and three equivalent Yb(1) atoms. In the second Se site, Se(2) is bonded to two equivalent Mg(1) and two equivalent Yb(1) atoms to form distorted edge-sharing SeYb2Mg2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbMgSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.888
_cell_length_b   5.888
_cell_length_c   7.571
_cell_angle_alpha   80.297
_cell_angle_beta   80.297
_cell_angle_gamma   100.819
_symmetry_Int_Tables_number   1
_cell_volume   248.612
_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
  Yb  Yb0  1  0.187  0.187  0.603  1.0
  Yb  Yb1  1  0.813  0.813  0.397  1.0
  Mg  Mg2  1  0.296  0.704  0.000  1.0
  Mg  Mg3  1  0.704  0.296  0.000  1.0
  Se  Se4  1  0.043  0.620  0.736  1.0
  Se  Se5  1  0.957  0.380  0.264  1.0
  Se  Se6  1  0.380  0.957  0.264  1.0
  Se  Se7  1  0.620  0.043  0.736  1.0
  Se  Se8  1  0.476  0.476  0.263  1.0
  Se  Se9  1  0.524  0.524  0.737  1.0
[/CIF]
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The compound described by MgYbSe3 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form distorted edge-sharing MgSe6 pentagonal pyramids. Yb(1) is bonded in a 8-coordinate geometry to two equivalent Se(2) and six equivalent Se(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to two equivalent Mg(1) and three equivalent Yb(1) atoms. In the second Se site, Se(2) is bonded to two equivalent Mg(1) and two equivalent Yb(1) atoms to form distorted edge-sharing SeYb2Mg2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbMgSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.888
_cell_length_b   5.888
_cell_length_c   7.571
_cell_angle_alpha   80.297
_cell_angle_beta   80.297
_cell_angle_gamma   100.819
_symmetry_Int_Tables_number   1
_cell_volume   248.612
_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
  Yb  Yb0  1  0.187  0.187  0.603  1.0
  Yb  Yb1  1  0.813  0.813  0.397  1.0
  Mg  Mg2  1  0.296  0.704  0.000  1.0
  Mg  Mg3  1  0.704  0.296  0.000  1.0
  Se  Se4  1  0.043  0.620  0.736  1.0
  Se  Se5  1  0.957  0.380  0.264  1.0
  Se  Se6  1  0.380  0.957  0.264  1.0
  Se  Se7  1  0.620  0.043  0.736  1.0
  Se  Se8  1  0.476  0.476  0.263  1.0
  Se  Se9  1  0.524  0.524  0.737  1.0
[/CIF]
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