The structure described by LiYb4Ti2O10 crystallizes in the monoclinic C2 space group. Li(1) is bonded in a trigonal bipyramidal geometry to one O(5), two equivalent O(1), and two equivalent O(3) atoms. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms. In the second Yb site, Yb(2) is bonded in a 7-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Yb(1), two equivalent Yb(2), and one Ti(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Yb(1), two equivalent Yb(2), and one Ti(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Yb(1), and one Ti(1) atom. In the fourth O site, O(4) is bonded to one Yb(1), two equivalent Yb(2), and one Ti(1) atom to form distorted OYb3Ti tetrahedra that share corners with two equivalent O(4)Yb3Ti tetrahedra and corners with three equivalent O(6)Yb2Ti2 trigonal pyramids. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Yb(1), and two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded to two equivalent Yb(2) and two equivalent Ti(1) atoms to form distorted corner-sharing OYb2Ti2 trigonal pyramids. is represented by the CIF file [CIF]
data_LiYb4Ti2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.247
_cell_length_b   6.449
_cell_length_c   7.854
_cell_angle_alpha   65.307
_cell_angle_beta   90.000
_cell_angle_gamma   65.993
_symmetry_Int_Tables_number   1
_cell_volume   215.896
_cell_formula_units_Z   1
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
  Li  Li0  1  0.808  0.000  0.750  1.0
  Yb  Yb1  1  0.587  0.662  0.804  1.0
  Yb  Yb2  1  0.617  0.707  0.271  1.0
  Yb  Yb3  1  0.249  0.338  0.696  1.0
  Yb  Yb4  1  0.324  0.293  0.229  1.0
  Ti  Ti5  1  0.992  0.985  0.473  1.0
  Ti  Ti6  1  0.977  0.015  0.027  1.0
  O  O7  1  0.847  0.752  0.014  1.0
  O  O8  1  0.368  0.840  0.469  1.0
  O  O9  1  0.941  0.723  0.656  1.0
  O  O10  1  0.664  0.277  0.844  1.0
  O  O11  1  0.317  0.681  0.075  1.0
  O  O12  1  0.997  0.319  0.425  1.0
  O  O13  1  0.599  0.248  0.486  1.0
  O  O14  1  0.166  0.000  0.750  1.0
  O  O15  1  0.208  0.160  0.031  1.0
  O  O16  1  0.815  0.000  0.250  1.0
[/CIF]
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The structure described by LiYb4Ti2O10 crystallizes in the monoclinic C2 space group. Li(1) is bonded in a trigonal bipyramidal geometry to one O(5), two equivalent O(1), and two equivalent O(3) atoms. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms. In the second Yb site, Yb(2) is bonded in a 7-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Yb(1), two equivalent Yb(2), and one Ti(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Yb(1), two equivalent Yb(2), and one Ti(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Yb(1), and one Ti(1) atom. In the fourth O site, O(4) is bonded to one Yb(1), two equivalent Yb(2), and one Ti(1) atom to form distorted OYb3Ti tetrahedra that share corners with two equivalent O(4)Yb3Ti tetrahedra and corners with three equivalent O(6)Yb2Ti2 trigonal pyramids. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Yb(1), and two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded to two equivalent Yb(2) and two equivalent Ti(1) atoms to form distorted corner-sharing OYb2Ti2 trigonal pyramids. is represented by the CIF file [CIF]
data_LiYb4Ti2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.247
_cell_length_b   6.449
_cell_length_c   7.854
_cell_angle_alpha   65.307
_cell_angle_beta   90.000
_cell_angle_gamma   65.993
_symmetry_Int_Tables_number   1
_cell_volume   215.896
_cell_formula_units_Z   1
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
  Li  Li0  1  0.808  0.000  0.750  1.0
  Yb  Yb1  1  0.587  0.662  0.804  1.0
  Yb  Yb2  1  0.617  0.707  0.271  1.0
  Yb  Yb3  1  0.249  0.338  0.696  1.0
  Yb  Yb4  1  0.324  0.293  0.229  1.0
  Ti  Ti5  1  0.992  0.985  0.473  1.0
  Ti  Ti6  1  0.977  0.015  0.027  1.0
  O  O7  1  0.847  0.752  0.014  1.0
  O  O8  1  0.368  0.840  0.469  1.0
  O  O9  1  0.941  0.723  0.656  1.0
  O  O10  1  0.664  0.277  0.844  1.0
  O  O11  1  0.317  0.681  0.075  1.0
  O  O12  1  0.997  0.319  0.425  1.0
  O  O13  1  0.599  0.248  0.486  1.0
  O  O14  1  0.166  0.000  0.750  1.0
  O  O15  1  0.208  0.160  0.031  1.0
  O  O16  1  0.815  0.000  0.250  1.0
[/CIF]
.