The material described by MgDySe3 is Ilmenite-like structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent Se(2) and four equivalent Se(1) atoms. Dy(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 4-coordinate geometry to two equivalent Mg(1) and two equivalent Dy(1) atoms. In the second Se site, Se(2) is bonded to two equivalent Mg(1) and two equivalent Dy(1) atoms to form edge-sharing SeDy2Mg2 trigonal pyramids. is represented by the CIF file [CIF]
data_DyMgSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.289
_cell_length_b   7.289
_cell_length_c   6.740
_cell_angle_alpha   73.210
_cell_angle_beta   73.210
_cell_angle_gamma   110.853
_symmetry_Int_Tables_number   1
_cell_volume   288.029
_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
  Dy  Dy0  1  0.780  0.780  0.234  1.0
  Dy  Dy1  1  0.220  0.220  0.766  1.0
  Mg  Mg2  1  0.333  0.667  0.000  1.0
  Mg  Mg3  1  0.667  0.333  0.000  1.0
  Se  Se4  1  0.205  0.896  0.196  1.0
  Se  Se5  1  0.795  0.104  0.804  1.0
  Se  Se6  1  0.104  0.795  0.804  1.0
  Se  Se7  1  0.896  0.205  0.196  1.0
  Se  Se8  1  0.580  0.580  0.711  1.0
  Se  Se9  1  0.420  0.420  0.289  1.0
[/CIF]
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The material described by MgDySe3 is Ilmenite-like structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent Se(2) and four equivalent Se(1) atoms. Dy(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 4-coordinate geometry to two equivalent Mg(1) and two equivalent Dy(1) atoms. In the second Se site, Se(2) is bonded to two equivalent Mg(1) and two equivalent Dy(1) atoms to form edge-sharing SeDy2Mg2 trigonal pyramids. is represented by the CIF file [CIF]
data_DyMgSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.289
_cell_length_b   7.289
_cell_length_c   6.740
_cell_angle_alpha   73.210
_cell_angle_beta   73.210
_cell_angle_gamma   110.853
_symmetry_Int_Tables_number   1
_cell_volume   288.029
_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
  Dy  Dy0  1  0.780  0.780  0.234  1.0
  Dy  Dy1  1  0.220  0.220  0.766  1.0
  Mg  Mg2  1  0.333  0.667  0.000  1.0
  Mg  Mg3  1  0.667  0.333  0.000  1.0
  Se  Se4  1  0.205  0.896  0.196  1.0
  Se  Se5  1  0.795  0.104  0.804  1.0
  Se  Se6  1  0.104  0.795  0.804  1.0
  Se  Se7  1  0.896  0.205  0.196  1.0
  Se  Se8  1  0.580  0.580  0.711  1.0
  Se  Se9  1  0.420  0.420  0.289  1.0
[/CIF]
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