The structure described by SrYb2O4 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one O(4), two equivalent O(2), and three equivalent O(3) atoms to form edge-sharing YbO6 octahedra. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to one O(2), two equivalent O(4), and three equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1) and three equivalent Yb(2) atoms to form a mixture of distorted corner and edge-sharing OSr2Yb3 trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Sr(1), one Yb(2), and two equivalent Yb(1) atoms to form a mixture of distorted corner and edge-sharing OSr2Yb3 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Sr(1) and three equivalent Yb(1) atoms to form a mixture of distorted corner and edge-sharing OSr2Yb3 square pyramids. In the fourth O site, O(4) is bonded to two equivalent Sr(1), one Yb(1), and two equivalent Yb(2) atoms to form a mixture of distorted corner and edge-sharing OSr2Yb3 trigonal bipyramids. is represented by the CIF file [CIF]
data_SrYb2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.472
_cell_length_b   9.813
_cell_length_c   11.948
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   407.082
_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  0.250  0.843  1.0
  Sr  Sr1  1  0.250  0.750  0.157  1.0
  Sr  Sr2  1  0.750  0.750  0.657  1.0
  Sr  Sr3  1  0.250  0.250  0.343  1.0
  Yb  Yb4  1  0.250  0.576  0.891  1.0
  Yb  Yb5  1  0.750  0.424  0.109  1.0
  Yb  Yb6  1  0.250  0.076  0.609  1.0
  Yb  Yb7  1  0.750  0.924  0.391  1.0
  Yb  Yb8  1  0.750  0.915  0.895  1.0
  Yb  Yb9  1  0.250  0.085  0.105  1.0
  Yb  Yb10  1  0.750  0.415  0.605  1.0
  Yb  Yb11  1  0.250  0.585  0.395  1.0
  O  O12  1  0.250  0.577  0.585  1.0
  O  O13  1  0.750  0.423  0.415  1.0
  O  O14  1  0.250  0.077  0.915  1.0
  O  O15  1  0.750  0.923  0.085  1.0
  O  O16  1  0.250  0.489  0.222  1.0
  O  O17  1  0.750  0.511  0.778  1.0
  O  O18  1  0.250  0.989  0.278  1.0
  O  O19  1  0.750  0.011  0.722  1.0
  O  O20  1  0.250  0.868  0.520  1.0
  O  O21  1  0.750  0.132  0.480  1.0
  O  O22  1  0.250  0.368  0.980  1.0
  O  O23  1  0.750  0.632  0.020  1.0
  O  O24  1  0.750  0.714  0.318  1.0
  O  O25  1  0.250  0.286  0.682  1.0
  O  O26  1  0.750  0.214  0.182  1.0
  O  O27  1  0.250  0.786  0.818  1.0
[/CIF]
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The structure described by SrYb2O4 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one O(4), two equivalent O(2), and three equivalent O(3) atoms to form edge-sharing YbO6 octahedra. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to one O(2), two equivalent O(4), and three equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1) and three equivalent Yb(2) atoms to form a mixture of distorted corner and edge-sharing OSr2Yb3 trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Sr(1), one Yb(2), and two equivalent Yb(1) atoms to form a mixture of distorted corner and edge-sharing OSr2Yb3 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Sr(1) and three equivalent Yb(1) atoms to form a mixture of distorted corner and edge-sharing OSr2Yb3 square pyramids. In the fourth O site, O(4) is bonded to two equivalent Sr(1), one Yb(1), and two equivalent Yb(2) atoms to form a mixture of distorted corner and edge-sharing OSr2Yb3 trigonal bipyramids. is represented by the CIF file [CIF]
data_SrYb2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.472
_cell_length_b   9.813
_cell_length_c   11.948
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   407.082
_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  0.250  0.843  1.0
  Sr  Sr1  1  0.250  0.750  0.157  1.0
  Sr  Sr2  1  0.750  0.750  0.657  1.0
  Sr  Sr3  1  0.250  0.250  0.343  1.0
  Yb  Yb4  1  0.250  0.576  0.891  1.0
  Yb  Yb5  1  0.750  0.424  0.109  1.0
  Yb  Yb6  1  0.250  0.076  0.609  1.0
  Yb  Yb7  1  0.750  0.924  0.391  1.0
  Yb  Yb8  1  0.750  0.915  0.895  1.0
  Yb  Yb9  1  0.250  0.085  0.105  1.0
  Yb  Yb10  1  0.750  0.415  0.605  1.0
  Yb  Yb11  1  0.250  0.585  0.395  1.0
  O  O12  1  0.250  0.577  0.585  1.0
  O  O13  1  0.750  0.423  0.415  1.0
  O  O14  1  0.250  0.077  0.915  1.0
  O  O15  1  0.750  0.923  0.085  1.0
  O  O16  1  0.250  0.489  0.222  1.0
  O  O17  1  0.750  0.511  0.778  1.0
  O  O18  1  0.250  0.989  0.278  1.0
  O  O19  1  0.750  0.011  0.722  1.0
  O  O20  1  0.250  0.868  0.520  1.0
  O  O21  1  0.750  0.132  0.480  1.0
  O  O22  1  0.250  0.368  0.980  1.0
  O  O23  1  0.750  0.632  0.020  1.0
  O  O24  1  0.750  0.714  0.318  1.0
  O  O25  1  0.250  0.286  0.682  1.0
  O  O26  1  0.750  0.214  0.182  1.0
  O  O27  1  0.250  0.786  0.818  1.0
[/CIF]
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