The crystal structure described by LiNb2Te4OCl10 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 5-coordinate geometry to one Te(2), one Te(4), one Cl(10), one Cl(2), and one Cl(6) atom. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one Cl(10), one Cl(2), one Cl(7), one Cl(8), and one Cl(9) atom to form distorted corner-sharing NbCl5O octahedra. The corner-sharing octahedral tilt angles are 3°. In the second Nb site, Nb(2) is bonded to one O(1), one Cl(1), one Cl(3), one Cl(4), one Cl(5), and one Cl(6) atom to form corner-sharing NbCl5O octahedra. The corner-sharing octahedral tilt angles are 3°. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a 3-coordinate geometry to one Te(2), one Te(3), and one Cl(4) atom. In the second Te site, Te(2) is bonded in a distorted single-bond geometry to one Li(1), one Te(1), and one Te(4) atom. In the third Te site, Te(3) is bonded in an L-shaped geometry to one Te(1) and one Te(4) atom. In the fourth Te site, Te(4) is bonded in a distorted T-shaped geometry to one Li(1), one Te(2), and one Te(3) atom. O(1) is bonded in a linear geometry to one Nb(1) and one Nb(2) atom. There are ten inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Nb(2) atom. In the second Cl site, Cl(2) is bonded in a bent 120 degrees geometry to one Li(1) and one Nb(1) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Nb(2) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Nb(2) and one Te(1) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one Nb(2) atom. In the sixth Cl site, Cl(6) is bonded in a bent 120 degrees geometry to one Li(1) and one Nb(2) atom. In the seventh Cl site, Cl(7) is bonded in a single-bond geometry to one Nb(1) atom. In the eighth Cl site, Cl(8) is bonded in a single-bond geometry to one Nb(1) atom. In the ninth Cl site, Cl(9) is bonded in a single-bond geometry to one Nb(1) atom. In the tenth Cl site, Cl(10) is bonded in a bent 120 degrees geometry to one Li(1) and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiNb2Te4Cl10O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.399
_cell_length_b   8.325
_cell_length_c   9.556
_cell_angle_alpha   83.222
_cell_angle_beta   89.839
_cell_angle_gamma   75.548
_symmetry_Int_Tables_number   1
_cell_volume   565.824
_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  0.409  0.167  0.779  1.0
  Nb  Nb1  1  0.518  0.643  0.636  1.0
  Nb  Nb2  1  0.487  0.356  0.357  1.0
  Te  Te3  1  0.174  0.898  0.162  1.0
  Te  Te4  1  0.083  0.204  0.994  1.0
  Te  Te5  1  0.916  0.794  0.013  1.0
  Te  Te6  1  0.852  0.084  0.828  1.0
  Cl  Cl7  1  0.453  0.164  0.192  1.0
  Cl  Cl8  1  0.405  0.461  0.820  1.0
  Cl  Cl9  1  0.786  0.190  0.423  1.0
  Cl  Cl10  1  0.171  0.525  0.293  1.0
  Cl  Cl11  1  0.602  0.528  0.186  1.0
  Cl  Cl12  1  0.335  0.198  0.533  1.0
  Cl  Cl13  1  0.828  0.488  0.724  1.0
  Cl  Cl14  1  0.655  0.804  0.473  1.0
  Cl  Cl15  1  0.210  0.799  0.589  1.0
  Cl  Cl16  1  0.531  0.850  0.817  1.0
  O  O17  1  0.503  0.497  0.503  1.0
[/CIF]
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The crystal structure described by LiNb2Te4OCl10 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 5-coordinate geometry to one Te(2), one Te(4), one Cl(10), one Cl(2), and one Cl(6) atom. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one Cl(10), one Cl(2), one Cl(7), one Cl(8), and one Cl(9) atom to form distorted corner-sharing NbCl5O octahedra. The corner-sharing octahedral tilt angles are 3°. In the second Nb site, Nb(2) is bonded to one O(1), one Cl(1), one Cl(3), one Cl(4), one Cl(5), and one Cl(6) atom to form corner-sharing NbCl5O octahedra. The corner-sharing octahedral tilt angles are 3°. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a 3-coordinate geometry to one Te(2), one Te(3), and one Cl(4) atom. In the second Te site, Te(2) is bonded in a distorted single-bond geometry to one Li(1), one Te(1), and one Te(4) atom. In the third Te site, Te(3) is bonded in an L-shaped geometry to one Te(1) and one Te(4) atom. In the fourth Te site, Te(4) is bonded in a distorted T-shaped geometry to one Li(1), one Te(2), and one Te(3) atom. O(1) is bonded in a linear geometry to one Nb(1) and one Nb(2) atom. There are ten inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Nb(2) atom. In the second Cl site, Cl(2) is bonded in a bent 120 degrees geometry to one Li(1) and one Nb(1) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Nb(2) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Nb(2) and one Te(1) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one Nb(2) atom. In the sixth Cl site, Cl(6) is bonded in a bent 120 degrees geometry to one Li(1) and one Nb(2) atom. In the seventh Cl site, Cl(7) is bonded in a single-bond geometry to one Nb(1) atom. In the eighth Cl site, Cl(8) is bonded in a single-bond geometry to one Nb(1) atom. In the ninth Cl site, Cl(9) is bonded in a single-bond geometry to one Nb(1) atom. In the tenth Cl site, Cl(10) is bonded in a bent 120 degrees geometry to one Li(1) and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiNb2Te4Cl10O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.399
_cell_length_b   8.325
_cell_length_c   9.556
_cell_angle_alpha   83.222
_cell_angle_beta   89.839
_cell_angle_gamma   75.548
_symmetry_Int_Tables_number   1
_cell_volume   565.824
_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  0.409  0.167  0.779  1.0
  Nb  Nb1  1  0.518  0.643  0.636  1.0
  Nb  Nb2  1  0.487  0.356  0.357  1.0
  Te  Te3  1  0.174  0.898  0.162  1.0
  Te  Te4  1  0.083  0.204  0.994  1.0
  Te  Te5  1  0.916  0.794  0.013  1.0
  Te  Te6  1  0.852  0.084  0.828  1.0
  Cl  Cl7  1  0.453  0.164  0.192  1.0
  Cl  Cl8  1  0.405  0.461  0.820  1.0
  Cl  Cl9  1  0.786  0.190  0.423  1.0
  Cl  Cl10  1  0.171  0.525  0.293  1.0
  Cl  Cl11  1  0.602  0.528  0.186  1.0
  Cl  Cl12  1  0.335  0.198  0.533  1.0
  Cl  Cl13  1  0.828  0.488  0.724  1.0
  Cl  Cl14  1  0.655  0.804  0.473  1.0
  Cl  Cl15  1  0.210  0.799  0.589  1.0
  Cl  Cl16  1  0.531  0.850  0.817  1.0
  O  O17  1  0.503  0.497  0.503  1.0
[/CIF]
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