The crystal structure described by WTe3O12 crystallizes in the monoclinic P2 space group. W(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form WO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and edges with two equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form TeO6 octahedra that share corners with two equivalent W(1)O6 octahedra and edges with two equivalent Te(3)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. In the second Te site, Te(2) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form TeO6 octahedra that share corners with two equivalent Te(3)O6 octahedra and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles are 43°. In the third Te site, Te(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form a mixture of edge and corner-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one W(1) and one Te(1) atom. In the second O site, O(2) is bonded in a water-like geometry to one Te(1) and one Te(3) atom. In the third O site, O(3) is bonded in a water-like geometry to one W(1) and one Te(2) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one Te(1) and one Te(3) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one W(1) and one Te(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Te(2) and one Te(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Te3WO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.540
_cell_length_b   4.986
_cell_length_c   5.239
_cell_angle_alpha   88.710
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   223.026
_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
  Te  Te0  1  0.580  0.500  0.000  1.0
  Te  Te1  1  0.088  0.000  0.500  1.0
  Te  Te2  1  0.398  0.500  0.500  1.0
  W  W3  1  0.899  0.000  0.000  1.0
  O  O4  1  0.743  0.256  0.894  1.0
  O  O5  1  0.420  0.286  0.817  1.0
  O  O6  1  0.063  0.204  0.809  1.0
  O  O7  1  0.564  0.708  0.681  1.0
  O  O8  1  0.927  0.791  0.691  1.0
  O  O9  1  0.245  0.749  0.637  1.0
  O  O10  1  0.245  0.251  0.363  1.0
  O  O11  1  0.927  0.209  0.309  1.0
  O  O12  1  0.564  0.292  0.319  1.0
  O  O13  1  0.063  0.796  0.191  1.0
  O  O14  1  0.420  0.714  0.183  1.0
  O  O15  1  0.743  0.744  0.106  1.0
[/CIF]
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The crystal structure described by WTe3O12 crystallizes in the monoclinic P2 space group. W(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form WO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and edges with two equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form TeO6 octahedra that share corners with two equivalent W(1)O6 octahedra and edges with two equivalent Te(3)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. In the second Te site, Te(2) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form TeO6 octahedra that share corners with two equivalent Te(3)O6 octahedra and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles are 43°. In the third Te site, Te(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form a mixture of edge and corner-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one W(1) and one Te(1) atom. In the second O site, O(2) is bonded in a water-like geometry to one Te(1) and one Te(3) atom. In the third O site, O(3) is bonded in a water-like geometry to one W(1) and one Te(2) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one Te(1) and one Te(3) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one W(1) and one Te(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Te(2) and one Te(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Te3WO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.540
_cell_length_b   4.986
_cell_length_c   5.239
_cell_angle_alpha   88.710
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   223.026
_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
  Te  Te0  1  0.580  0.500  0.000  1.0
  Te  Te1  1  0.088  0.000  0.500  1.0
  Te  Te2  1  0.398  0.500  0.500  1.0
  W  W3  1  0.899  0.000  0.000  1.0
  O  O4  1  0.743  0.256  0.894  1.0
  O  O5  1  0.420  0.286  0.817  1.0
  O  O6  1  0.063  0.204  0.809  1.0
  O  O7  1  0.564  0.708  0.681  1.0
  O  O8  1  0.927  0.791  0.691  1.0
  O  O9  1  0.245  0.749  0.637  1.0
  O  O10  1  0.245  0.251  0.363  1.0
  O  O11  1  0.927  0.209  0.309  1.0
  O  O12  1  0.564  0.292  0.319  1.0
  O  O13  1  0.063  0.796  0.191  1.0
  O  O14  1  0.420  0.714  0.183  1.0
  O  O15  1  0.743  0.744  0.106  1.0
[/CIF]
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