The material described by Eu(ScSe2)2 crystallizes in the orthorhombic Pnma space group. Eu(1) is bonded in a 8-coordinate geometry to two equivalent Se(1), two equivalent Se(2), two equivalent Se(3), and two equivalent Se(4) atoms. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one Se(2), two equivalent Se(3), and three equivalent Se(1) atoms to form a mixture of corner and edge-sharing ScSe6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. In the second Sc site, Sc(2) is bonded to one Se(3), two equivalent Se(2), and three equivalent Se(4) atoms to form a mixture of corner and edge-sharing ScSe6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Eu(1) and three equivalent Sc(1) atoms to form a mixture of corner and edge-sharing SeEu2Sc3 square pyramids. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to two equivalent Eu(1), one Sc(1), and two equivalent Sc(2) atoms. In the third Se site, Se(3) is bonded to two equivalent Eu(1), one Sc(2), and two equivalent Sc(1) atoms to form a mixture of distorted corner and edge-sharing SeEu2Sc3 trigonal bipyramids. In the fourth Se site, Se(4) is bonded to two equivalent Eu(1) and three equivalent Sc(2) atoms to form a mixture of distorted corner and edge-sharing SeEu2Sc3 trigonal bipyramids. is represented by the CIF card [CIF]
data_Eu(ScSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.784
_cell_length_b   11.490
_cell_length_c   13.687
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   595.010
_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
  Eu  Eu0  1  0.250  0.238  0.332  1.0
  Eu  Eu1  1  0.750  0.262  0.832  1.0
  Eu  Eu2  1  0.250  0.738  0.168  1.0
  Eu  Eu3  1  0.750  0.762  0.668  1.0
  Sc  Sc4  1  0.250  0.084  0.597  1.0
  Sc  Sc5  1  0.250  0.059  0.111  1.0
  Sc  Sc6  1  0.750  0.416  0.097  1.0
  Sc  Sc7  1  0.750  0.941  0.889  1.0
  Sc  Sc8  1  0.750  0.441  0.611  1.0
  Sc  Sc9  1  0.250  0.559  0.389  1.0
  Sc  Sc10  1  0.750  0.916  0.403  1.0
  Sc  Sc11  1  0.250  0.584  0.903  1.0
  Se  Se12  1  0.250  0.871  0.531  1.0
  Se  Se13  1  0.250  0.796  0.837  1.0
  Se  Se14  1  0.250  0.972  0.284  1.0
  Se  Se15  1  0.750  0.405  0.423  1.0
  Se  Se16  1  0.250  0.472  0.216  1.0
  Se  Se17  1  0.250  0.095  0.923  1.0
  Se  Se18  1  0.750  0.204  0.163  1.0
  Se  Se19  1  0.750  0.028  0.716  1.0
  Se  Se20  1  0.250  0.595  0.577  1.0
  Se  Se21  1  0.750  0.704  0.337  1.0
  Se  Se22  1  0.250  0.296  0.663  1.0
  Se  Se23  1  0.250  0.371  0.969  1.0
  Se  Se24  1  0.750  0.629  0.031  1.0
  Se  Se25  1  0.750  0.528  0.784  1.0
  Se  Se26  1  0.750  0.129  0.469  1.0
  Se  Se27  1  0.750  0.905  0.077  1.0
[/CIF]
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The material described by Eu(ScSe2)2 crystallizes in the orthorhombic Pnma space group. Eu(1) is bonded in a 8-coordinate geometry to two equivalent Se(1), two equivalent Se(2), two equivalent Se(3), and two equivalent Se(4) atoms. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one Se(2), two equivalent Se(3), and three equivalent Se(1) atoms to form a mixture of corner and edge-sharing ScSe6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. In the second Sc site, Sc(2) is bonded to one Se(3), two equivalent Se(2), and three equivalent Se(4) atoms to form a mixture of corner and edge-sharing ScSe6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Eu(1) and three equivalent Sc(1) atoms to form a mixture of corner and edge-sharing SeEu2Sc3 square pyramids. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to two equivalent Eu(1), one Sc(1), and two equivalent Sc(2) atoms. In the third Se site, Se(3) is bonded to two equivalent Eu(1), one Sc(2), and two equivalent Sc(1) atoms to form a mixture of distorted corner and edge-sharing SeEu2Sc3 trigonal bipyramids. In the fourth Se site, Se(4) is bonded to two equivalent Eu(1) and three equivalent Sc(2) atoms to form a mixture of distorted corner and edge-sharing SeEu2Sc3 trigonal bipyramids. is represented by the CIF card [CIF]
data_Eu(ScSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.784
_cell_length_b   11.490
_cell_length_c   13.687
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   595.010
_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
  Eu  Eu0  1  0.250  0.238  0.332  1.0
  Eu  Eu1  1  0.750  0.262  0.832  1.0
  Eu  Eu2  1  0.250  0.738  0.168  1.0
  Eu  Eu3  1  0.750  0.762  0.668  1.0
  Sc  Sc4  1  0.250  0.084  0.597  1.0
  Sc  Sc5  1  0.250  0.059  0.111  1.0
  Sc  Sc6  1  0.750  0.416  0.097  1.0
  Sc  Sc7  1  0.750  0.941  0.889  1.0
  Sc  Sc8  1  0.750  0.441  0.611  1.0
  Sc  Sc9  1  0.250  0.559  0.389  1.0
  Sc  Sc10  1  0.750  0.916  0.403  1.0
  Sc  Sc11  1  0.250  0.584  0.903  1.0
  Se  Se12  1  0.250  0.871  0.531  1.0
  Se  Se13  1  0.250  0.796  0.837  1.0
  Se  Se14  1  0.250  0.972  0.284  1.0
  Se  Se15  1  0.750  0.405  0.423  1.0
  Se  Se16  1  0.250  0.472  0.216  1.0
  Se  Se17  1  0.250  0.095  0.923  1.0
  Se  Se18  1  0.750  0.204  0.163  1.0
  Se  Se19  1  0.750  0.028  0.716  1.0
  Se  Se20  1  0.250  0.595  0.577  1.0
  Se  Se21  1  0.750  0.704  0.337  1.0
  Se  Se22  1  0.250  0.296  0.663  1.0
  Se  Se23  1  0.250  0.371  0.969  1.0
  Se  Se24  1  0.750  0.629  0.031  1.0
  Se  Se25  1  0.750  0.528  0.784  1.0
  Se  Se26  1  0.750  0.129  0.469  1.0
  Se  Se27  1  0.750  0.905  0.077  1.0
[/CIF]
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