The material described by Yb2TeO6 crystallizes in the triclinic P1 space group. There are six inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 6-coordinate geometry to one O(12), one O(14), one O(16), one O(2), one O(4), and one O(7) atom. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(13), one O(15), one O(18), one O(5), and one O(9) atom. In the third Yb site, Yb(3) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(13), one O(17), one O(3), one O(6), and one O(8) atom. In the fourth Yb site, Yb(4) is bonded in a 8-coordinate geometry to one O(11), one O(13), one O(16), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. In the fifth Yb site, Yb(5) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(14), one O(18), one O(2), one O(5), one O(6), and one O(9) atom. In the sixth Yb site, Yb(6) is bonded in a 8-coordinate geometry to one O(1), one O(12), one O(15), one O(17), one O(3), one O(4), one O(6), and one O(8) atom. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom. In the second Te site, Te(2) is bonded in an octahedral geometry to one O(16), one O(17), one O(18), one O(4), one O(5), and one O(6) atom. In the third Te site, Te(3) is bonded in a distorted octahedral geometry to one O(10), one O(11), one O(12), one O(13), one O(14), and one O(15) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded to one Yb(2), one Yb(5), one Yb(6), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OYb3Te trigonal pyramids. In the second O site, O(2) is bonded to one Yb(1), one Yb(4), one Yb(5), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OYb3Te trigonal pyramids. In the third O site, O(3) is bonded to one Yb(3), one Yb(4), one Yb(6), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OYb3Te trigonal pyramids. In the fourth O site, O(4) is bonded to one Yb(1), one Yb(4), one Yb(6), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OYb3Te trigonal pyramids. In the fifth O site, O(5) is bonded to one Yb(2), one Yb(4), one Yb(5), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OYb3Te trigonal pyramids. In the sixth O site, O(6) is bonded to one Yb(3), one Yb(5), one Yb(6), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OYb3Te trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Yb(1), one Yb(4), and one Te(1) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Yb(3), one Yb(6), and one Te(1) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Yb(2), one Yb(5), and one Te(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Yb(3), one Yb(5), and one Te(3) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Yb(2), one Yb(3), one Yb(4), and one Te(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Yb(1), one Yb(6), and one Te(3) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Yb(2), one Yb(3), one Yb(4), and one Te(3) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Yb(1), one Yb(5), and one Te(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Yb(2), one Yb(6), and one Te(3) atom. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one Yb(1), one Yb(4), and one Te(2) atom. In the seventeenth O site, O(17) is bonded in a distorted T-shaped geometry to one Yb(3), one Yb(6), and one Te(2) atom. In the eighteenth O site, O(18) is bonded in a distorted T-shaped geometry to one Yb(2), one Yb(5), and one Te(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb2TeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.782
_cell_length_b   8.782
_cell_length_c   5.094
_cell_angle_alpha   90.344
_cell_angle_beta   89.637
_cell_angle_gamma   119.817
_symmetry_Int_Tables_number   1
_cell_volume   340.858
_cell_formula_units_Z   3
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
  Yb  Yb0  1  0.719  0.718  0.500  1.0
  Yb  Yb1  1  0.005  0.279  0.494  1.0
  Yb  Yb2  1  0.279  0.006  0.506  1.0
  Yb  Yb3  1  0.403  0.403  0.000  1.0
  Yb  Yb4  1  0.001  0.591  0.000  1.0
  Yb  Yb5  1  0.591  0.001  1.000  1.0
  Te  Te6  1  0.668  0.333  0.619  1.0
  Te  Te7  1  0.333  0.668  0.381  1.0
  Te  Te8  1  0.008  0.008  0.999  1.0
  O  O9  1  0.813  0.275  0.815  1.0
  O  O10  1  0.724  0.535  0.820  1.0
  O  O11  1  0.468  0.189  0.826  1.0
  O  O12  1  0.535  0.725  0.181  1.0
  O  O13  1  0.190  0.468  0.175  1.0
  O  O14  1  0.275  0.812  0.185  1.0
  O  O15  1  0.552  0.417  0.380  1.0
  O  O16  1  0.579  0.134  0.379  1.0
  O  O17  1  0.865  0.447  0.377  1.0
  O  O18  1  0.054  0.853  0.790  1.0
  O  O19  1  0.147  0.191  0.765  1.0
  O  O20  1  0.805  0.946  0.788  1.0
  O  O21  1  0.191  0.147  0.234  1.0
  O  O22  1  0.945  0.804  0.210  1.0
  O  O23  1  0.854  0.054  0.208  1.0
  O  O24  1  0.417  0.553  0.622  1.0
  O  O25  1  0.446  0.865  0.624  1.0
  O  O26  1  0.134  0.578  0.622  1.0
[/CIF]
.
The material described by Yb2TeO6 crystallizes in the triclinic P1 space group. There are six inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 6-coordinate geometry to one O(12), one O(14), one O(16), one O(2), one O(4), and one O(7) atom. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(13), one O(15), one O(18), one O(5), and one O(9) atom. In the third Yb site, Yb(3) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(13), one O(17), one O(3), one O(6), and one O(8) atom. In the fourth Yb site, Yb(4) is bonded in a 8-coordinate geometry to one O(11), one O(13), one O(16), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. In the fifth Yb site, Yb(5) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(14), one O(18), one O(2), one O(5), one O(6), and one O(9) atom. In the sixth Yb site, Yb(6) is bonded in a 8-coordinate geometry to one O(1), one O(12), one O(15), one O(17), one O(3), one O(4), one O(6), and one O(8) atom. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom. In the second Te site, Te(2) is bonded in an octahedral geometry to one O(16), one O(17), one O(18), one O(4), one O(5), and one O(6) atom. In the third Te site, Te(3) is bonded in a distorted octahedral geometry to one O(10), one O(11), one O(12), one O(13), one O(14), and one O(15) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded to one Yb(2), one Yb(5), one Yb(6), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OYb3Te trigonal pyramids. In the second O site, O(2) is bonded to one Yb(1), one Yb(4), one Yb(5), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OYb3Te trigonal pyramids. In the third O site, O(3) is bonded to one Yb(3), one Yb(4), one Yb(6), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OYb3Te trigonal pyramids. In the fourth O site, O(4) is bonded to one Yb(1), one Yb(4), one Yb(6), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OYb3Te trigonal pyramids. In the fifth O site, O(5) is bonded to one Yb(2), one Yb(4), one Yb(5), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OYb3Te trigonal pyramids. In the sixth O site, O(6) is bonded to one Yb(3), one Yb(5), one Yb(6), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OYb3Te trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Yb(1), one Yb(4), and one Te(1) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Yb(3), one Yb(6), and one Te(1) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Yb(2), one Yb(5), and one Te(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Yb(3), one Yb(5), and one Te(3) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Yb(2), one Yb(3), one Yb(4), and one Te(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Yb(1), one Yb(6), and one Te(3) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Yb(2), one Yb(3), one Yb(4), and one Te(3) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Yb(1), one Yb(5), and one Te(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Yb(2), one Yb(6), and one Te(3) atom. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one Yb(1), one Yb(4), and one Te(2) atom. In the seventeenth O site, O(17) is bonded in a distorted T-shaped geometry to one Yb(3), one Yb(6), and one Te(2) atom. In the eighteenth O site, O(18) is bonded in a distorted T-shaped geometry to one Yb(2), one Yb(5), and one Te(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb2TeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.782
_cell_length_b   8.782
_cell_length_c   5.094
_cell_angle_alpha   90.344
_cell_angle_beta   89.637
_cell_angle_gamma   119.817
_symmetry_Int_Tables_number   1
_cell_volume   340.858
_cell_formula_units_Z   3
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
  Yb  Yb0  1  0.719  0.718  0.500  1.0
  Yb  Yb1  1  0.005  0.279  0.494  1.0
  Yb  Yb2  1  0.279  0.006  0.506  1.0
  Yb  Yb3  1  0.403  0.403  0.000  1.0
  Yb  Yb4  1  0.001  0.591  0.000  1.0
  Yb  Yb5  1  0.591  0.001  1.000  1.0
  Te  Te6  1  0.668  0.333  0.619  1.0
  Te  Te7  1  0.333  0.668  0.381  1.0
  Te  Te8  1  0.008  0.008  0.999  1.0
  O  O9  1  0.813  0.275  0.815  1.0
  O  O10  1  0.724  0.535  0.820  1.0
  O  O11  1  0.468  0.189  0.826  1.0
  O  O12  1  0.535  0.725  0.181  1.0
  O  O13  1  0.190  0.468  0.175  1.0
  O  O14  1  0.275  0.812  0.185  1.0
  O  O15  1  0.552  0.417  0.380  1.0
  O  O16  1  0.579  0.134  0.379  1.0
  O  O17  1  0.865  0.447  0.377  1.0
  O  O18  1  0.054  0.853  0.790  1.0
  O  O19  1  0.147  0.191  0.765  1.0
  O  O20  1  0.805  0.946  0.788  1.0
  O  O21  1  0.191  0.147  0.234  1.0
  O  O22  1  0.945  0.804  0.210  1.0
  O  O23  1  0.854  0.054  0.208  1.0
  O  O24  1  0.417  0.553  0.622  1.0
  O  O25  1  0.446  0.865  0.624  1.0
  O  O26  1  0.134  0.578  0.622  1.0
[/CIF]
.