The material structure described by MgYb2Se4 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a 4-coordinate geometry to one Se(3), two equivalent Se(1), and three equivalent Se(2) atoms. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 9-coordinate geometry to two equivalent Se(3), three equivalent Se(2), and four equivalent Se(1) atoms. In the second Yb site, Yb(2) is bonded in a 8-coordinate geometry to one Se(2), three equivalent Se(3), and four equivalent Se(1) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 7-coordinate geometry to one Mg(1), two equivalent Yb(1), two equivalent Yb(2), and two equivalent Se(1) atoms. In the second Se site, Se(2) is bonded in a 7-coordinate geometry to three equivalent Mg(1), one Yb(2), and three equivalent Yb(1) atoms. In the third Se site, Se(3) is bonded in a 6-coordinate geometry to one Mg(1), two equivalent Yb(1), and three equivalent Yb(2) atoms. is represented by the CIF file [CIF]
data_Yb2MgSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.486
_cell_length_b   9.256
_cell_length_c   13.447
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   682.819
_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
  Yb  Yb0  1  0.750  0.013  0.322  1.0
  Yb  Yb1  1  0.250  0.987  0.678  1.0
  Yb  Yb2  1  0.250  0.487  0.822  1.0
  Yb  Yb3  1  0.750  0.513  0.178  1.0
  Yb  Yb4  1  0.250  0.092  0.051  1.0
  Yb  Yb5  1  0.750  0.908  0.949  1.0
  Yb  Yb6  1  0.750  0.408  0.551  1.0
  Yb  Yb7  1  0.250  0.592  0.449  1.0
  Mg  Mg8  1  0.250  0.177  0.467  1.0
  Mg  Mg9  1  0.750  0.823  0.533  1.0
  Mg  Mg10  1  0.750  0.323  0.967  1.0
  Mg  Mg11  1  0.250  0.677  0.033  1.0
  Se  Se12  1  0.499  0.177  0.836  1.0
  Se  Se13  1  0.501  0.823  0.164  1.0
  Se  Se14  1  0.501  0.323  0.336  1.0
  Se  Se15  1  0.499  0.677  0.664  1.0
  Se  Se16  1  0.001  0.677  0.664  1.0
  Se  Se17  1  0.999  0.323  0.336  1.0
  Se  Se18  1  0.999  0.823  0.164  1.0
  Se  Se19  1  0.001  0.177  0.836  1.0
  Se  Se20  1  0.250  0.912  0.433  1.0
  Se  Se21  1  0.750  0.088  0.567  1.0
  Se  Se22  1  0.750  0.588  0.933  1.0
  Se  Se23  1  0.250  0.412  0.067  1.0
  Se  Se24  1  0.750  0.153  0.112  1.0
  Se  Se25  1  0.250  0.847  0.888  1.0
  Se  Se26  1  0.250  0.347  0.612  1.0
  Se  Se27  1  0.750  0.653  0.388  1.0
[/CIF]
.
The material structure described by MgYb2Se4 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a 4-coordinate geometry to one Se(3), two equivalent Se(1), and three equivalent Se(2) atoms. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 9-coordinate geometry to two equivalent Se(3), three equivalent Se(2), and four equivalent Se(1) atoms. In the second Yb site, Yb(2) is bonded in a 8-coordinate geometry to one Se(2), three equivalent Se(3), and four equivalent Se(1) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 7-coordinate geometry to one Mg(1), two equivalent Yb(1), two equivalent Yb(2), and two equivalent Se(1) atoms. In the second Se site, Se(2) is bonded in a 7-coordinate geometry to three equivalent Mg(1), one Yb(2), and three equivalent Yb(1) atoms. In the third Se site, Se(3) is bonded in a 6-coordinate geometry to one Mg(1), two equivalent Yb(1), and three equivalent Yb(2) atoms. is represented by the CIF file [CIF]
data_Yb2MgSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.486
_cell_length_b   9.256
_cell_length_c   13.447
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   682.819
_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
  Yb  Yb0  1  0.750  0.013  0.322  1.0
  Yb  Yb1  1  0.250  0.987  0.678  1.0
  Yb  Yb2  1  0.250  0.487  0.822  1.0
  Yb  Yb3  1  0.750  0.513  0.178  1.0
  Yb  Yb4  1  0.250  0.092  0.051  1.0
  Yb  Yb5  1  0.750  0.908  0.949  1.0
  Yb  Yb6  1  0.750  0.408  0.551  1.0
  Yb  Yb7  1  0.250  0.592  0.449  1.0
  Mg  Mg8  1  0.250  0.177  0.467  1.0
  Mg  Mg9  1  0.750  0.823  0.533  1.0
  Mg  Mg10  1  0.750  0.323  0.967  1.0
  Mg  Mg11  1  0.250  0.677  0.033  1.0
  Se  Se12  1  0.499  0.177  0.836  1.0
  Se  Se13  1  0.501  0.823  0.164  1.0
  Se  Se14  1  0.501  0.323  0.336  1.0
  Se  Se15  1  0.499  0.677  0.664  1.0
  Se  Se16  1  0.001  0.677  0.664  1.0
  Se  Se17  1  0.999  0.323  0.336  1.0
  Se  Se18  1  0.999  0.823  0.164  1.0
  Se  Se19  1  0.001  0.177  0.836  1.0
  Se  Se20  1  0.250  0.912  0.433  1.0
  Se  Se21  1  0.750  0.088  0.567  1.0
  Se  Se22  1  0.750  0.588  0.933  1.0
  Se  Se23  1  0.250  0.412  0.067  1.0
  Se  Se24  1  0.750  0.153  0.112  1.0
  Se  Se25  1  0.250  0.847  0.888  1.0
  Se  Se26  1  0.250  0.347  0.612  1.0
  Se  Se27  1  0.750  0.653  0.388  1.0
[/CIF]
.