The material described by Lu2TeO6 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. In the second Lu site, Lu(2) is bonded to one O(2), one O(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted LuO7 hexagonal pyramids that share corners with three equivalent Te(1)O6 octahedra, edges with two equivalent Lu(2)O7 hexagonal pyramids, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-46°. Te(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TeO6 octahedra that share corners with three equivalent Lu(2)O7 hexagonal pyramids and edges with two equivalent Lu(2)O7 hexagonal pyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Lu(1) and one Te(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Lu(1), one Lu(2), and one Te(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Lu(1), one Lu(2), and one Te(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Lu(1), one Lu(2), and one Te(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Lu(1), two equivalent Lu(2), and one Te(1) atom. In the sixth O site, O(6) is bonded to one Lu(1), two equivalent Lu(2), and one Te(1) atom to form distorted corner-sharing OLu3Te tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu2TeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.135
_cell_length_b   8.883
_cell_length_c   9.741
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   444.308
_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
  Lu  Lu0  1  0.015  0.396  0.037  1.0
  Lu  Lu1  1  0.040  0.283  0.634  1.0
  Lu  Lu2  1  0.460  0.717  0.134  1.0
  Lu  Lu3  1  0.485  0.604  0.537  1.0
  Lu  Lu4  1  0.515  0.104  0.963  1.0
  Lu  Lu5  1  0.540  0.217  0.366  1.0
  Lu  Lu6  1  0.960  0.783  0.866  1.0
  Lu  Lu7  1  0.985  0.896  0.463  1.0
  Te  Te8  1  0.036  0.005  0.150  1.0
  Te  Te9  1  0.464  0.995  0.650  1.0
  Te  Te10  1  0.536  0.495  0.850  1.0
  Te  Te11  1  0.964  0.505  0.350  1.0
  O  O12  1  0.095  0.658  0.470  1.0
  O  O13  1  0.171  0.549  0.195  1.0
  O  O14  1  0.192  0.856  0.263  1.0
  O  O15  1  0.176  0.858  0.680  1.0
  O  O16  1  0.239  0.383  0.429  1.0
  O  O17  1  0.241  0.916  0.003  1.0
  O  O18  1  0.259  0.084  0.503  1.0
  O  O19  1  0.261  0.617  0.929  1.0
  O  O20  1  0.324  0.142  0.180  1.0
  O  O21  1  0.308  0.144  0.763  1.0
  O  O22  1  0.329  0.451  0.695  1.0
  O  O23  1  0.405  0.342  0.970  1.0
  O  O24  1  0.595  0.842  0.530  1.0
  O  O25  1  0.671  0.951  0.805  1.0
  O  O26  1  0.692  0.644  0.737  1.0
  O  O27  1  0.676  0.642  0.320  1.0
  O  O28  1  0.739  0.117  0.571  1.0
  O  O29  1  0.741  0.584  0.997  1.0
  O  O30  1  0.759  0.416  0.497  1.0
  O  O31  1  0.761  0.883  0.071  1.0
  O  O32  1  0.824  0.358  0.820  1.0
  O  O33  1  0.808  0.356  0.237  1.0
  O  O34  1  0.829  0.049  0.305  1.0
  O  O35  1  0.905  0.158  0.030  1.0
[/CIF]
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The material described by Lu2TeO6 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. In the second Lu site, Lu(2) is bonded to one O(2), one O(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted LuO7 hexagonal pyramids that share corners with three equivalent Te(1)O6 octahedra, edges with two equivalent Lu(2)O7 hexagonal pyramids, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-46°. Te(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TeO6 octahedra that share corners with three equivalent Lu(2)O7 hexagonal pyramids and edges with two equivalent Lu(2)O7 hexagonal pyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Lu(1) and one Te(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Lu(1), one Lu(2), and one Te(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Lu(1), one Lu(2), and one Te(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Lu(1), one Lu(2), and one Te(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Lu(1), two equivalent Lu(2), and one Te(1) atom. In the sixth O site, O(6) is bonded to one Lu(1), two equivalent Lu(2), and one Te(1) atom to form distorted corner-sharing OLu3Te tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu2TeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.135
_cell_length_b   8.883
_cell_length_c   9.741
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   444.308
_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
  Lu  Lu0  1  0.015  0.396  0.037  1.0
  Lu  Lu1  1  0.040  0.283  0.634  1.0
  Lu  Lu2  1  0.460  0.717  0.134  1.0
  Lu  Lu3  1  0.485  0.604  0.537  1.0
  Lu  Lu4  1  0.515  0.104  0.963  1.0
  Lu  Lu5  1  0.540  0.217  0.366  1.0
  Lu  Lu6  1  0.960  0.783  0.866  1.0
  Lu  Lu7  1  0.985  0.896  0.463  1.0
  Te  Te8  1  0.036  0.005  0.150  1.0
  Te  Te9  1  0.464  0.995  0.650  1.0
  Te  Te10  1  0.536  0.495  0.850  1.0
  Te  Te11  1  0.964  0.505  0.350  1.0
  O  O12  1  0.095  0.658  0.470  1.0
  O  O13  1  0.171  0.549  0.195  1.0
  O  O14  1  0.192  0.856  0.263  1.0
  O  O15  1  0.176  0.858  0.680  1.0
  O  O16  1  0.239  0.383  0.429  1.0
  O  O17  1  0.241  0.916  0.003  1.0
  O  O18  1  0.259  0.084  0.503  1.0
  O  O19  1  0.261  0.617  0.929  1.0
  O  O20  1  0.324  0.142  0.180  1.0
  O  O21  1  0.308  0.144  0.763  1.0
  O  O22  1  0.329  0.451  0.695  1.0
  O  O23  1  0.405  0.342  0.970  1.0
  O  O24  1  0.595  0.842  0.530  1.0
  O  O25  1  0.671  0.951  0.805  1.0
  O  O26  1  0.692  0.644  0.737  1.0
  O  O27  1  0.676  0.642  0.320  1.0
  O  O28  1  0.739  0.117  0.571  1.0
  O  O29  1  0.741  0.584  0.997  1.0
  O  O30  1  0.759  0.416  0.497  1.0
  O  O31  1  0.761  0.883  0.071  1.0
  O  O32  1  0.824  0.358  0.820  1.0
  O  O33  1  0.808  0.356  0.237  1.0
  O  O34  1  0.829  0.049  0.305  1.0
  O  O35  1  0.905  0.158  0.030  1.0
[/CIF]
.