The material structure described by MgYb2Se4 crystallizes in the tetragonal I-42d space group. Mg(1) is bonded in a distorted square co-planar geometry to four equivalent Se(1) atoms. Yb(1) is bonded to eight equivalent Se(1) atoms to form a mixture of distorted face, edge, and corner-sharing YbSe8 hexagonal bipyramids. Se(1) is bonded in a 5-coordinate geometry to one Mg(1) and four equivalent Yb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb2MgSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.573
_cell_length_b   7.573
_cell_length_c   7.573
_cell_angle_alpha   101.918
_cell_angle_beta   113.375
_cell_angle_gamma   113.375
_symmetry_Int_Tables_number   1
_cell_volume   330.111
_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  0.500  0.750  0.250  1.0
  Se  Se2  1  0.287  0.775  0.886  1.0
  Se  Se3  1  0.889  0.114  0.401  1.0
  Se  Se4  1  0.713  0.599  0.488  1.0
  Se  Se5  1  0.111  0.512  0.225  1.0
  Se  Se6  1  0.389  0.151  0.364  1.0
  Se  Se7  1  0.213  0.238  0.849  1.0
  Se  Se8  1  0.611  0.975  0.762  1.0
  Se  Se9  1  0.787  0.636  0.025  1.0
  Yb  Yb10  1  0.372  0.497  0.625  1.0
  Yb  Yb11  1  0.872  0.375  0.747  1.0
  Yb  Yb12  1  0.628  0.253  0.125  1.0
  Yb  Yb13  1  0.128  0.875  0.503  1.0
[/CIF]
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The material structure described by MgYb2Se4 crystallizes in the tetragonal I-42d space group. Mg(1) is bonded in a distorted square co-planar geometry to four equivalent Se(1) atoms. Yb(1) is bonded to eight equivalent Se(1) atoms to form a mixture of distorted face, edge, and corner-sharing YbSe8 hexagonal bipyramids. Se(1) is bonded in a 5-coordinate geometry to one Mg(1) and four equivalent Yb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb2MgSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.573
_cell_length_b   7.573
_cell_length_c   7.573
_cell_angle_alpha   101.918
_cell_angle_beta   113.375
_cell_angle_gamma   113.375
_symmetry_Int_Tables_number   1
_cell_volume   330.111
_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  0.500  0.750  0.250  1.0
  Se  Se2  1  0.287  0.775  0.886  1.0
  Se  Se3  1  0.889  0.114  0.401  1.0
  Se  Se4  1  0.713  0.599  0.488  1.0
  Se  Se5  1  0.111  0.512  0.225  1.0
  Se  Se6  1  0.389  0.151  0.364  1.0
  Se  Se7  1  0.213  0.238  0.849  1.0
  Se  Se8  1  0.611  0.975  0.762  1.0
  Se  Se9  1  0.787  0.636  0.025  1.0
  Yb  Yb10  1  0.372  0.497  0.625  1.0
  Yb  Yb11  1  0.872  0.375  0.747  1.0
  Yb  Yb12  1  0.628  0.253  0.125  1.0
  Yb  Yb13  1  0.128  0.875  0.503  1.0
[/CIF]
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