The compound described by LiTa2Te4OBr10 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one Te(4), one Br(1), one Br(2), one Br(8), and one Br(9) atom. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(1), one Br(1), one Br(2), one Br(3), one Br(4), and one Br(6) atom to form distorted corner-sharing TaBr5O octahedra. The corner-sharing octahedral tilt angles are 3°. In the second Ta site, Ta(2) is bonded to one O(1), one Br(10), one Br(5), one Br(7), one Br(8), and one Br(9) atom to form distorted corner-sharing TaBr5O 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(3), one Te(4), and one Br(10) atom. In the second Te site, Te(2) is bonded in a distorted T-shaped geometry to one Te(3), one Te(4), and one Br(1) atom. In the third Te site, Te(3) is bonded in an L-shaped geometry to one Te(1) and one Te(2) atom. In the fourth Te site, Te(4) is bonded in a distorted T-shaped geometry to one Li(1), one Te(1), and one Te(2) atom. O(1) is bonded in a linear geometry to one Ta(1) and one Ta(2) atom. There are ten inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted L-shaped geometry to one Li(1), one Ta(1), and one Te(2) atom. In the second Br site, Br(2) is bonded in an L-shaped geometry to one Li(1) and one Ta(1) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one Ta(1) atom. In the fourth Br site, Br(4) is bonded in a single-bond geometry to one Ta(1) atom. In the fifth Br site, Br(5) is bonded in a single-bond geometry to one Ta(2) atom. In the sixth Br site, Br(6) is bonded in a single-bond geometry to one Ta(1) atom. In the seventh Br site, Br(7) is bonded in a single-bond geometry to one Ta(2) atom. In the eighth Br site, Br(8) is bonded in an L-shaped geometry to one Li(1) and one Ta(2) atom. In the ninth Br site, Br(9) is bonded in an L-shaped geometry to one Li(1) and one Ta(2) atom. In the tenth Br site, Br(10) is bonded in a single-bond geometry to one Ta(2) and one Te(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiTa2Te4Br10O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.916
_cell_length_b   9.096
_cell_length_c   9.613
_cell_angle_alpha   85.456
_cell_angle_beta   95.699
_cell_angle_gamma   79.753
_symmetry_Int_Tables_number   1
_cell_volume   674.441
_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  0.608  0.384  0.983  1.0
  Ta  Ta1  1  0.506  0.375  0.368  1.0
  Ta  Ta2  1  0.513  0.654  0.644  1.0
  Te  Te3  1  0.923  0.819  0.019  1.0
  Te  Te4  1  0.123  0.181  0.980  1.0
  Te  Te5  1  0.216  0.908  0.138  1.0
  Te  Te6  1  0.833  0.088  0.852  1.0
  Br  Br7  1  0.500  0.192  0.155  1.0
  Br  Br8  1  0.645  0.541  0.195  1.0
  Br  Br9  1  0.212  0.525  0.253  1.0
  Br  Br10  1  0.800  0.230  0.451  1.0
  Br  Br11  1  0.694  0.790  0.507  1.0
  Br  Br12  1  0.357  0.204  0.502  1.0
  Br  Br13  1  0.231  0.799  0.540  1.0
  Br  Br14  1  0.794  0.479  0.783  1.0
  Br  Br15  1  0.348  0.494  0.802  1.0
  Br  Br16  1  0.533  0.834  0.839  1.0
  O  O17  1  0.514  0.509  0.507  1.0
[/CIF]
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The compound described by LiTa2Te4OBr10 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one Te(4), one Br(1), one Br(2), one Br(8), and one Br(9) atom. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(1), one Br(1), one Br(2), one Br(3), one Br(4), and one Br(6) atom to form distorted corner-sharing TaBr5O octahedra. The corner-sharing octahedral tilt angles are 3°. In the second Ta site, Ta(2) is bonded to one O(1), one Br(10), one Br(5), one Br(7), one Br(8), and one Br(9) atom to form distorted corner-sharing TaBr5O 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(3), one Te(4), and one Br(10) atom. In the second Te site, Te(2) is bonded in a distorted T-shaped geometry to one Te(3), one Te(4), and one Br(1) atom. In the third Te site, Te(3) is bonded in an L-shaped geometry to one Te(1) and one Te(2) atom. In the fourth Te site, Te(4) is bonded in a distorted T-shaped geometry to one Li(1), one Te(1), and one Te(2) atom. O(1) is bonded in a linear geometry to one Ta(1) and one Ta(2) atom. There are ten inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted L-shaped geometry to one Li(1), one Ta(1), and one Te(2) atom. In the second Br site, Br(2) is bonded in an L-shaped geometry to one Li(1) and one Ta(1) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one Ta(1) atom. In the fourth Br site, Br(4) is bonded in a single-bond geometry to one Ta(1) atom. In the fifth Br site, Br(5) is bonded in a single-bond geometry to one Ta(2) atom. In the sixth Br site, Br(6) is bonded in a single-bond geometry to one Ta(1) atom. In the seventh Br site, Br(7) is bonded in a single-bond geometry to one Ta(2) atom. In the eighth Br site, Br(8) is bonded in an L-shaped geometry to one Li(1) and one Ta(2) atom. In the ninth Br site, Br(9) is bonded in an L-shaped geometry to one Li(1) and one Ta(2) atom. In the tenth Br site, Br(10) is bonded in a single-bond geometry to one Ta(2) and one Te(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiTa2Te4Br10O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.916
_cell_length_b   9.096
_cell_length_c   9.613
_cell_angle_alpha   85.456
_cell_angle_beta   95.699
_cell_angle_gamma   79.753
_symmetry_Int_Tables_number   1
_cell_volume   674.441
_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  0.608  0.384  0.983  1.0
  Ta  Ta1  1  0.506  0.375  0.368  1.0
  Ta  Ta2  1  0.513  0.654  0.644  1.0
  Te  Te3  1  0.923  0.819  0.019  1.0
  Te  Te4  1  0.123  0.181  0.980  1.0
  Te  Te5  1  0.216  0.908  0.138  1.0
  Te  Te6  1  0.833  0.088  0.852  1.0
  Br  Br7  1  0.500  0.192  0.155  1.0
  Br  Br8  1  0.645  0.541  0.195  1.0
  Br  Br9  1  0.212  0.525  0.253  1.0
  Br  Br10  1  0.800  0.230  0.451  1.0
  Br  Br11  1  0.694  0.790  0.507  1.0
  Br  Br12  1  0.357  0.204  0.502  1.0
  Br  Br13  1  0.231  0.799  0.540  1.0
  Br  Br14  1  0.794  0.479  0.783  1.0
  Br  Br15  1  0.348  0.494  0.802  1.0
  Br  Br16  1  0.533  0.834  0.839  1.0
  O  O17  1  0.514  0.509  0.507  1.0
[/CIF]
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