The material described by MgCeSe3 is Ilmenite-like structured and 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 octahedra. Ce(1) is bonded in a 6-coordinate geometry to two equivalent Se(2) and four equivalent Se(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Ce(1) atoms. In the second Se site, Se(2) is bonded to two equivalent Mg(1) and two equivalent Ce(1) atoms to form edge-sharing SeCe2Mg2 trigonal pyramids. is represented by the CIF file [CIF]
data_CeMgSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.023
_cell_length_b   7.023
_cell_length_c   7.170
_cell_angle_alpha   72.556
_cell_angle_beta   72.556
_cell_angle_gamma   108.945
_symmetry_Int_Tables_number   1
_cell_volume   286.566
_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
  Ce  Ce0  1  0.799  0.799  0.248  1.0
  Ce  Ce1  1  0.201  0.201  0.752  1.0
  Mg  Mg2  1  0.324  0.676  0.000  1.0
  Mg  Mg3  1  0.676  0.324  0.000  1.0
  Se  Se4  1  0.240  0.938  0.182  1.0
  Se  Se5  1  0.760  0.062  0.818  1.0
  Se  Se6  1  0.062  0.760  0.818  1.0
  Se  Se7  1  0.938  0.240  0.182  1.0
  Se  Se8  1  0.565  0.565  0.713  1.0
  Se  Se9  1  0.435  0.435  0.287  1.0
[/CIF]
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The material described by MgCeSe3 is Ilmenite-like structured and 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 octahedra. Ce(1) is bonded in a 6-coordinate geometry to two equivalent Se(2) and four equivalent Se(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Ce(1) atoms. In the second Se site, Se(2) is bonded to two equivalent Mg(1) and two equivalent Ce(1) atoms to form edge-sharing SeCe2Mg2 trigonal pyramids. is represented by the CIF file [CIF]
data_CeMgSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.023
_cell_length_b   7.023
_cell_length_c   7.170
_cell_angle_alpha   72.556
_cell_angle_beta   72.556
_cell_angle_gamma   108.945
_symmetry_Int_Tables_number   1
_cell_volume   286.566
_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
  Ce  Ce0  1  0.799  0.799  0.248  1.0
  Ce  Ce1  1  0.201  0.201  0.752  1.0
  Mg  Mg2  1  0.324  0.676  0.000  1.0
  Mg  Mg3  1  0.676  0.324  0.000  1.0
  Se  Se4  1  0.240  0.938  0.182  1.0
  Se  Se5  1  0.760  0.062  0.818  1.0
  Se  Se6  1  0.062  0.760  0.818  1.0
  Se  Se7  1  0.938  0.240  0.182  1.0
  Se  Se8  1  0.565  0.565  0.713  1.0
  Se  Se9  1  0.435  0.435  0.287  1.0
[/CIF]
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