The material described by MgPr2Se4 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. Pr(1) is bonded in a 8-coordinate geometry to eight equivalent Se(1) atoms. Se(1) is bonded in a 5-coordinate geometry to one Mg(1) and four equivalent Pr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2MgSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.733
_cell_length_b   7.733
_cell_length_c   7.733
_cell_angle_alpha   110.957
_cell_angle_beta   110.957
_cell_angle_gamma   106.538
_symmetry_Int_Tables_number   1
_cell_volume   355.346
_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
  Pr  Pr0  1  0.875  0.754  0.379  1.0
  Pr  Pr1  1  0.504  0.125  0.879  1.0
  Pr  Pr2  1  0.375  0.496  0.621  1.0
  Pr  Pr3  1  0.246  0.625  0.121  1.0
  Mg  Mg4  1  0.000  0.000  0.000  1.0
  Mg  Mg5  1  0.750  0.250  0.500  1.0
  Se  Se6  1  0.506  0.376  0.267  1.0
  Se  Se7  1  0.761  0.494  0.870  1.0
  Se  Se8  1  0.109  0.239  0.733  1.0
  Se  Se9  1  0.624  0.891  0.130  1.0
  Se  Se10  1  0.244  0.011  0.370  1.0
  Se  Se11  1  0.989  0.359  0.233  1.0
  Se  Se12  1  0.641  0.874  0.630  1.0
  Se  Se13  1  0.126  0.756  0.767  1.0
[/CIF]
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The material described by MgPr2Se4 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. Pr(1) is bonded in a 8-coordinate geometry to eight equivalent Se(1) atoms. Se(1) is bonded in a 5-coordinate geometry to one Mg(1) and four equivalent Pr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2MgSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.733
_cell_length_b   7.733
_cell_length_c   7.733
_cell_angle_alpha   110.957
_cell_angle_beta   110.957
_cell_angle_gamma   106.538
_symmetry_Int_Tables_number   1
_cell_volume   355.346
_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
  Pr  Pr0  1  0.875  0.754  0.379  1.0
  Pr  Pr1  1  0.504  0.125  0.879  1.0
  Pr  Pr2  1  0.375  0.496  0.621  1.0
  Pr  Pr3  1  0.246  0.625  0.121  1.0
  Mg  Mg4  1  0.000  0.000  0.000  1.0
  Mg  Mg5  1  0.750  0.250  0.500  1.0
  Se  Se6  1  0.506  0.376  0.267  1.0
  Se  Se7  1  0.761  0.494  0.870  1.0
  Se  Se8  1  0.109  0.239  0.733  1.0
  Se  Se9  1  0.624  0.891  0.130  1.0
  Se  Se10  1  0.244  0.011  0.370  1.0
  Se  Se11  1  0.989  0.359  0.233  1.0
  Se  Se12  1  0.641  0.874  0.630  1.0
  Se  Se13  1  0.126  0.756  0.767  1.0
[/CIF]
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