The material structure described by Na2Lu3Te4(O4I)3 is Zircon-derived structured and crystallizes in the monoclinic P2/c space group. Na(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(6), one I(1), and three equivalent I(2) atoms. There are two inequivalent Lu sites. In the first Lu site, Lu(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(5) atoms. In the second Lu site, Lu(2) is bonded in a distorted body-centered cubic geometry to one O(1), one O(2), one O(3), one O(5), two equivalent O(4), and two equivalent O(6) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted T-shaped geometry to one O(1), one O(2), one O(3), and one I(2) atom. In the second Te site, Te(2) is bonded in a distorted T-shaped geometry to one O(4), one O(5), one O(6), and two equivalent I(2) atoms. There are six inequivalent O sites. In the first O site, O(3) is bonded to one Na(1), one Lu(1), one Lu(2), and one Te(1) atom to form a mixture of corner and edge-sharing ONaLu2Te tetrahedra. In the second O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Lu(2), and one Te(2) atom. In the third O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Lu(1), one Lu(2), and one Te(2) atom. In the fourth O site, O(6) is bonded to one Na(1), two equivalent Lu(2), and one Te(2) atom to form a mixture of corner and edge-sharing ONaLu2Te tetrahedra. In the fifth O site, O(1) is bonded to one Na(1), one Lu(1), one Lu(2), and one Te(1) atom to form a mixture of distorted corner and edge-sharing ONaLu2Te tetrahedra. In the sixth O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Lu(1), one Lu(2), and one Te(1) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted linear geometry to two equivalent Na(1) atoms. In the second I site, I(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Na(1), one Te(1), and two equivalent Te(2) atoms. is represented by the CIF card [CIF]
data_Na2Lu3Te4(IO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.490
_cell_length_b   9.219
_cell_length_c   16.523
_cell_angle_alpha   89.996
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   836.219
_cell_formula_units_Z   2
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
  Na  Na0  1  0.262  0.706  0.087  1.0
  Na  Na1  1  0.262  0.294  0.413  1.0
  Na  Na2  1  0.738  0.294  0.913  1.0
  Na  Na3  1  0.738  0.706  0.587  1.0
  Lu  Lu4  1  0.246  0.000  0.250  1.0
  Lu  Lu5  1  0.754  0.000  0.750  1.0
  Lu  Lu6  1  0.254  0.999  0.915  1.0
  Lu  Lu7  1  0.254  0.001  0.585  1.0
  Lu  Lu8  1  0.746  0.001  0.085  1.0
  Lu  Lu9  1  0.746  0.999  0.415  1.0
  Te  Te10  1  0.209  0.752  0.733  1.0
  Te  Te11  1  0.209  0.248  0.767  1.0
  Te  Te12  1  0.791  0.248  0.267  1.0
  Te  Te13  1  0.791  0.752  0.233  1.0
  Te  Te14  1  0.286  0.755  0.434  1.0
  Te  Te15  1  0.286  0.245  0.066  1.0
  Te  Te16  1  0.714  0.245  0.566  1.0
  Te  Te17  1  0.714  0.755  0.934  1.0
  I  I18  1  0.256  0.500  0.250  1.0
  I  I19  1  0.744  0.500  0.750  1.0
  I  I20  1  0.244  0.505  0.917  1.0
  I  I21  1  0.244  0.495  0.583  1.0
  I  I22  1  0.756  0.495  0.083  1.0
  I  I23  1  0.756  0.505  0.417  1.0
  O  O24  1  0.460  0.868  0.688  1.0
  O  O25  1  0.460  0.132  0.812  1.0
  O  O26  1  0.540  0.132  0.312  1.0
  O  O27  1  0.540  0.868  0.188  1.0
  O  O28  1  0.076  0.873  0.814  1.0
  O  O29  1  0.076  0.127  0.686  1.0
  O  O30  1  0.924  0.127  0.186  1.0
  O  O31  1  0.924  0.873  0.314  1.0
  O  O32  1  0.006  0.844  0.159  1.0
  O  O33  1  0.006  0.156  0.341  1.0
  O  O34  1  0.994  0.156  0.841  1.0
  O  O35  1  0.994  0.844  0.659  1.0
  O  O36  1  0.041  0.873  0.479  1.0
  O  O37  1  0.041  0.127  0.021  1.0
  O  O38  1  0.959  0.127  0.521  1.0
  O  O39  1  0.959  0.873  0.979  1.0
  O  O40  1  0.418  0.881  0.354  1.0
  O  O41  1  0.418  0.119  0.146  1.0
  O  O42  1  0.582  0.119  0.646  1.0
  O  O43  1  0.582  0.881  0.854  1.0
  O  O44  1  0.494  0.849  0.007  1.0
  O  O45  1  0.494  0.151  0.493  1.0
  O  O46  1  0.506  0.151  0.993  1.0
  O  O47  1  0.506  0.849  0.507  1.0
[/CIF]
.
The material structure described by Na2Lu3Te4(O4I)3 is Zircon-derived structured and crystallizes in the monoclinic P2/c space group. Na(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(6), one I(1), and three equivalent I(2) atoms. There are two inequivalent Lu sites. In the first Lu site, Lu(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(5) atoms. In the second Lu site, Lu(2) is bonded in a distorted body-centered cubic geometry to one O(1), one O(2), one O(3), one O(5), two equivalent O(4), and two equivalent O(6) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted T-shaped geometry to one O(1), one O(2), one O(3), and one I(2) atom. In the second Te site, Te(2) is bonded in a distorted T-shaped geometry to one O(4), one O(5), one O(6), and two equivalent I(2) atoms. There are six inequivalent O sites. In the first O site, O(3) is bonded to one Na(1), one Lu(1), one Lu(2), and one Te(1) atom to form a mixture of corner and edge-sharing ONaLu2Te tetrahedra. In the second O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Lu(2), and one Te(2) atom. In the third O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Lu(1), one Lu(2), and one Te(2) atom. In the fourth O site, O(6) is bonded to one Na(1), two equivalent Lu(2), and one Te(2) atom to form a mixture of corner and edge-sharing ONaLu2Te tetrahedra. In the fifth O site, O(1) is bonded to one Na(1), one Lu(1), one Lu(2), and one Te(1) atom to form a mixture of distorted corner and edge-sharing ONaLu2Te tetrahedra. In the sixth O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Lu(1), one Lu(2), and one Te(1) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted linear geometry to two equivalent Na(1) atoms. In the second I site, I(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Na(1), one Te(1), and two equivalent Te(2) atoms. is represented by the CIF card [CIF]
data_Na2Lu3Te4(IO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.490
_cell_length_b   9.219
_cell_length_c   16.523
_cell_angle_alpha   89.996
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   836.219
_cell_formula_units_Z   2
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
  Na  Na0  1  0.262  0.706  0.087  1.0
  Na  Na1  1  0.262  0.294  0.413  1.0
  Na  Na2  1  0.738  0.294  0.913  1.0
  Na  Na3  1  0.738  0.706  0.587  1.0
  Lu  Lu4  1  0.246  0.000  0.250  1.0
  Lu  Lu5  1  0.754  0.000  0.750  1.0
  Lu  Lu6  1  0.254  0.999  0.915  1.0
  Lu  Lu7  1  0.254  0.001  0.585  1.0
  Lu  Lu8  1  0.746  0.001  0.085  1.0
  Lu  Lu9  1  0.746  0.999  0.415  1.0
  Te  Te10  1  0.209  0.752  0.733  1.0
  Te  Te11  1  0.209  0.248  0.767  1.0
  Te  Te12  1  0.791  0.248  0.267  1.0
  Te  Te13  1  0.791  0.752  0.233  1.0
  Te  Te14  1  0.286  0.755  0.434  1.0
  Te  Te15  1  0.286  0.245  0.066  1.0
  Te  Te16  1  0.714  0.245  0.566  1.0
  Te  Te17  1  0.714  0.755  0.934  1.0
  I  I18  1  0.256  0.500  0.250  1.0
  I  I19  1  0.744  0.500  0.750  1.0
  I  I20  1  0.244  0.505  0.917  1.0
  I  I21  1  0.244  0.495  0.583  1.0
  I  I22  1  0.756  0.495  0.083  1.0
  I  I23  1  0.756  0.505  0.417  1.0
  O  O24  1  0.460  0.868  0.688  1.0
  O  O25  1  0.460  0.132  0.812  1.0
  O  O26  1  0.540  0.132  0.312  1.0
  O  O27  1  0.540  0.868  0.188  1.0
  O  O28  1  0.076  0.873  0.814  1.0
  O  O29  1  0.076  0.127  0.686  1.0
  O  O30  1  0.924  0.127  0.186  1.0
  O  O31  1  0.924  0.873  0.314  1.0
  O  O32  1  0.006  0.844  0.159  1.0
  O  O33  1  0.006  0.156  0.341  1.0
  O  O34  1  0.994  0.156  0.841  1.0
  O  O35  1  0.994  0.844  0.659  1.0
  O  O36  1  0.041  0.873  0.479  1.0
  O  O37  1  0.041  0.127  0.021  1.0
  O  O38  1  0.959  0.127  0.521  1.0
  O  O39  1  0.959  0.873  0.979  1.0
  O  O40  1  0.418  0.881  0.354  1.0
  O  O41  1  0.418  0.119  0.146  1.0
  O  O42  1  0.582  0.119  0.646  1.0
  O  O43  1  0.582  0.881  0.854  1.0
  O  O44  1  0.494  0.849  0.007  1.0
  O  O45  1  0.494  0.151  0.493  1.0
  O  O46  1  0.506  0.151  0.993  1.0
  O  O47  1  0.506  0.849  0.507  1.0
[/CIF]
.