The structure described by Sr(YSe2)2 crystallizes in the orthorhombic Pnma space group. Sr(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 Y sites. In the first Y site, Y(1) is bonded to one Se(3), two equivalent Se(1), and three equivalent Se(4) atoms to form a mixture of corner and edge-sharing YSe6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. In the second Y site, Y(2) is bonded to one Se(1), two equivalent Se(3), and three equivalent Se(2) atoms to form a mixture of corner and edge-sharing YSe6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Sr(1), one Y(2), and two equivalent Y(1) atoms to form a mixture of distorted corner and edge-sharing SeSr2Y3 trigonal bipyramids. In the second Se site, Se(2) is bonded to two equivalent Sr(1) and three equivalent Y(2) atoms to form a mixture of corner and edge-sharing SeSr2Y3 square pyramids. In the third Se site, Se(3) is bonded to two equivalent Sr(1), one Y(1), and two equivalent Y(2) atoms to form a mixture of distorted corner and edge-sharing SeSr2Y3 trigonal bipyramids. In the fourth Se site, Se(4) is bonded to two equivalent Sr(1) and three equivalent Y(1) atoms to form a mixture of distorted corner and edge-sharing SeSr2Y3 trigonal bipyramids. is represented by the CIF file [CIF]
data_Sr(YSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.140
_cell_length_b   12.633
_cell_length_c   14.956
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   782.198
_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
  Sr  Sr0  1  0.750  0.740  0.165  1.0
  Sr  Sr1  1  0.750  0.240  0.335  1.0
  Sr  Sr2  1  0.250  0.260  0.835  1.0
  Sr  Sr3  1  0.250  0.760  0.665  1.0
  Y  Y4  1  0.750  0.061  0.111  1.0
  Y  Y5  1  0.750  0.561  0.389  1.0
  Y  Y6  1  0.250  0.939  0.889  1.0
  Y  Y7  1  0.250  0.439  0.611  1.0
  Y  Y8  1  0.750  0.085  0.598  1.0
  Y  Y9  1  0.750  0.585  0.902  1.0
  Y  Y10  1  0.250  0.915  0.402  1.0
  Y  Y11  1  0.250  0.415  0.098  1.0
  Se  Se12  1  0.750  0.297  0.672  1.0
  Se  Se13  1  0.750  0.797  0.828  1.0
  Se  Se14  1  0.250  0.703  0.328  1.0
  Se  Se15  1  0.250  0.203  0.172  1.0
  Se  Se16  1  0.750  0.372  0.969  1.0
  Se  Se17  1  0.750  0.872  0.531  1.0
  Se  Se18  1  0.250  0.628  0.031  1.0
  Se  Se19  1  0.250  0.128  0.469  1.0
  Se  Se20  1  0.750  0.470  0.216  1.0
  Se  Se21  1  0.750  0.970  0.284  1.0
  Se  Se22  1  0.250  0.530  0.784  1.0
  Se  Se23  1  0.250  0.030  0.716  1.0
  Se  Se24  1  0.750  0.092  0.923  1.0
  Se  Se25  1  0.750  0.592  0.577  1.0
  Se  Se26  1  0.250  0.908  0.077  1.0
  Se  Se27  1  0.250  0.408  0.423  1.0
[/CIF]
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The structure described by Sr(YSe2)2 crystallizes in the orthorhombic Pnma space group. Sr(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 Y sites. In the first Y site, Y(1) is bonded to one Se(3), two equivalent Se(1), and three equivalent Se(4) atoms to form a mixture of corner and edge-sharing YSe6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. In the second Y site, Y(2) is bonded to one Se(1), two equivalent Se(3), and three equivalent Se(2) atoms to form a mixture of corner and edge-sharing YSe6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Sr(1), one Y(2), and two equivalent Y(1) atoms to form a mixture of distorted corner and edge-sharing SeSr2Y3 trigonal bipyramids. In the second Se site, Se(2) is bonded to two equivalent Sr(1) and three equivalent Y(2) atoms to form a mixture of corner and edge-sharing SeSr2Y3 square pyramids. In the third Se site, Se(3) is bonded to two equivalent Sr(1), one Y(1), and two equivalent Y(2) atoms to form a mixture of distorted corner and edge-sharing SeSr2Y3 trigonal bipyramids. In the fourth Se site, Se(4) is bonded to two equivalent Sr(1) and three equivalent Y(1) atoms to form a mixture of distorted corner and edge-sharing SeSr2Y3 trigonal bipyramids. is represented by the CIF file [CIF]
data_Sr(YSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.140
_cell_length_b   12.633
_cell_length_c   14.956
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   782.198
_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
  Sr  Sr0  1  0.750  0.740  0.165  1.0
  Sr  Sr1  1  0.750  0.240  0.335  1.0
  Sr  Sr2  1  0.250  0.260  0.835  1.0
  Sr  Sr3  1  0.250  0.760  0.665  1.0
  Y  Y4  1  0.750  0.061  0.111  1.0
  Y  Y5  1  0.750  0.561  0.389  1.0
  Y  Y6  1  0.250  0.939  0.889  1.0
  Y  Y7  1  0.250  0.439  0.611  1.0
  Y  Y8  1  0.750  0.085  0.598  1.0
  Y  Y9  1  0.750  0.585  0.902  1.0
  Y  Y10  1  0.250  0.915  0.402  1.0
  Y  Y11  1  0.250  0.415  0.098  1.0
  Se  Se12  1  0.750  0.297  0.672  1.0
  Se  Se13  1  0.750  0.797  0.828  1.0
  Se  Se14  1  0.250  0.703  0.328  1.0
  Se  Se15  1  0.250  0.203  0.172  1.0
  Se  Se16  1  0.750  0.372  0.969  1.0
  Se  Se17  1  0.750  0.872  0.531  1.0
  Se  Se18  1  0.250  0.628  0.031  1.0
  Se  Se19  1  0.250  0.128  0.469  1.0
  Se  Se20  1  0.750  0.470  0.216  1.0
  Se  Se21  1  0.750  0.970  0.284  1.0
  Se  Se22  1  0.250  0.530  0.784  1.0
  Se  Se23  1  0.250  0.030  0.716  1.0
  Se  Se24  1  0.750  0.092  0.923  1.0
  Se  Se25  1  0.750  0.592  0.577  1.0
  Se  Se26  1  0.250  0.908  0.077  1.0
  Se  Se27  1  0.250  0.408  0.423  1.0
[/CIF]
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