The compound described by Sr(YbSe2)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 Yb sites. In the first Yb site, Yb(1) is bonded in a 6-coordinate geometry to one Se(2), one Se(3), two equivalent Se(1), and three equivalent Se(4) atoms. In the second Yb site, Yb(2) is bonded to one Se(1), two equivalent Se(3), and three equivalent Se(2) atoms to form edge-sharing YbSe6 octahedra. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Sr(1), one Yb(2), and two equivalent Yb(1) atoms to form distorted edge-sharing SeSr2Yb3 square pyramids. In the second Se site, Se(2) is bonded in a 7-coordinate geometry to two equivalent Sr(1), one Yb(1), three equivalent Yb(2), and one Se(4) atom. In the third Se site, Se(3) is bonded to two equivalent Sr(1), one Yb(1), and two equivalent Yb(2) atoms to form a mixture of distorted edge and corner-sharing SeSr2Yb3 trigonal bipyramids. In the fourth Se site, Se(4) is bonded in a 6-coordinate geometry to two equivalent Sr(1), three equivalent Yb(1), and one Se(2) atom. is represented by the CIF card [CIF]
data_Sr(YbSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.686
_cell_length_b   11.070
_cell_length_c   15.093
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   782.931
_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  0.724  0.181  1.0
  Sr  Sr1  1  0.750  0.224  0.319  1.0
  Sr  Sr2  1  0.250  0.276  0.819  1.0
  Sr  Sr3  1  0.250  0.776  0.681  1.0
  Yb  Yb4  1  0.750  0.060  0.104  1.0
  Yb  Yb5  1  0.750  0.560  0.396  1.0
  Yb  Yb6  1  0.250  0.940  0.896  1.0
  Yb  Yb7  1  0.250  0.440  0.604  1.0
  Yb  Yb8  1  0.750  0.097  0.603  1.0
  Yb  Yb9  1  0.750  0.597  0.897  1.0
  Yb  Yb10  1  0.250  0.903  0.397  1.0
  Yb  Yb11  1  0.250  0.403  0.103  1.0
  Se  Se12  1  0.750  0.335  0.672  1.0
  Se  Se13  1  0.750  0.835  0.828  1.0
  Se  Se14  1  0.250  0.665  0.328  1.0
  Se  Se15  1  0.250  0.165  0.172  1.0
  Se  Se16  1  0.750  0.326  0.973  1.0
  Se  Se17  1  0.750  0.826  0.527  1.0
  Se  Se18  1  0.250  0.674  0.027  1.0
  Se  Se19  1  0.250  0.174  0.473  1.0
  Se  Se20  1  0.750  0.454  0.206  1.0
  Se  Se21  1  0.750  0.954  0.294  1.0
  Se  Se22  1  0.250  0.546  0.794  1.0
  Se  Se23  1  0.250  0.046  0.706  1.0
  Se  Se24  1  0.750  0.111  0.909  1.0
  Se  Se25  1  0.750  0.611  0.591  1.0
  Se  Se26  1  0.250  0.889  0.091  1.0
  Se  Se27  1  0.250  0.389  0.409  1.0
[/CIF]
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The compound described by Sr(YbSe2)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 Yb sites. In the first Yb site, Yb(1) is bonded in a 6-coordinate geometry to one Se(2), one Se(3), two equivalent Se(1), and three equivalent Se(4) atoms. In the second Yb site, Yb(2) is bonded to one Se(1), two equivalent Se(3), and three equivalent Se(2) atoms to form edge-sharing YbSe6 octahedra. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Sr(1), one Yb(2), and two equivalent Yb(1) atoms to form distorted edge-sharing SeSr2Yb3 square pyramids. In the second Se site, Se(2) is bonded in a 7-coordinate geometry to two equivalent Sr(1), one Yb(1), three equivalent Yb(2), and one Se(4) atom. In the third Se site, Se(3) is bonded to two equivalent Sr(1), one Yb(1), and two equivalent Yb(2) atoms to form a mixture of distorted edge and corner-sharing SeSr2Yb3 trigonal bipyramids. In the fourth Se site, Se(4) is bonded in a 6-coordinate geometry to two equivalent Sr(1), three equivalent Yb(1), and one Se(2) atom. is represented by the CIF card [CIF]
data_Sr(YbSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.686
_cell_length_b   11.070
_cell_length_c   15.093
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   782.931
_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  0.724  0.181  1.0
  Sr  Sr1  1  0.750  0.224  0.319  1.0
  Sr  Sr2  1  0.250  0.276  0.819  1.0
  Sr  Sr3  1  0.250  0.776  0.681  1.0
  Yb  Yb4  1  0.750  0.060  0.104  1.0
  Yb  Yb5  1  0.750  0.560  0.396  1.0
  Yb  Yb6  1  0.250  0.940  0.896  1.0
  Yb  Yb7  1  0.250  0.440  0.604  1.0
  Yb  Yb8  1  0.750  0.097  0.603  1.0
  Yb  Yb9  1  0.750  0.597  0.897  1.0
  Yb  Yb10  1  0.250  0.903  0.397  1.0
  Yb  Yb11  1  0.250  0.403  0.103  1.0
  Se  Se12  1  0.750  0.335  0.672  1.0
  Se  Se13  1  0.750  0.835  0.828  1.0
  Se  Se14  1  0.250  0.665  0.328  1.0
  Se  Se15  1  0.250  0.165  0.172  1.0
  Se  Se16  1  0.750  0.326  0.973  1.0
  Se  Se17  1  0.750  0.826  0.527  1.0
  Se  Se18  1  0.250  0.674  0.027  1.0
  Se  Se19  1  0.250  0.174  0.473  1.0
  Se  Se20  1  0.750  0.454  0.206  1.0
  Se  Se21  1  0.750  0.954  0.294  1.0
  Se  Se22  1  0.250  0.546  0.794  1.0
  Se  Se23  1  0.250  0.046  0.706  1.0
  Se  Se24  1  0.750  0.111  0.909  1.0
  Se  Se25  1  0.750  0.611  0.591  1.0
  Se  Se26  1  0.250  0.889  0.091  1.0
  Se  Se27  1  0.250  0.389  0.409  1.0
[/CIF]
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