The material structure described by BaTbWO6In crystallizes in the orthorhombic Pnnn space group. The structure consists of four 7440-74-6 atoms inside a BaTbWO6 framework. In the BaTbWO6 framework, there are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Tb(1)O6 octahedra, and faces with four equivalent W(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Tb(1)O6 octahedra, and faces with four equivalent W(1)O6 octahedra. Tb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TbO6 octahedra that share corners with six equivalent W(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 5-7°. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Tb(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 5-7°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(1), one Ba(2), one Tb(1), and one W(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(1), one Ba(2), one Tb(1), and one W(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Ba(2), one Tb(1), and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaTbInWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.004
_cell_length_b   6.004
_cell_length_c   8.509
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.932
_symmetry_Int_Tables_number   1
_cell_volume   306.775
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Ba  Ba1  1  1.000  0.000  0.500  1.0
  In  In2  1  0.500  0.500  0.500  1.0
  In  In3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.269  0.769  0.250  1.0
  O  O5  1  0.231  0.731  0.750  1.0
  O  O6  1  0.731  0.231  0.250  1.0
  O  O7  1  0.769  0.269  0.750  1.0
  O  O8  1  0.500  0.000  0.020  1.0
  O  O9  1  0.000  0.500  0.980  1.0
  O  O10  1  0.254  0.216  0.250  1.0
  O  O11  1  0.746  0.784  0.250  1.0
  O  O12  1  0.216  0.254  0.750  1.0
  O  O13  1  0.784  0.746  0.750  1.0
  O  O14  1  0.500  0.000  0.480  1.0
  O  O15  1  0.000  0.500  0.520  1.0
  Tb  Tb16  1  0.500  0.000  0.750  1.0
  Tb  Tb17  1  0.000  0.500  0.250  1.0
  W  W18  1  0.500  0.000  0.250  1.0
  W  W19  1  0.000  0.500  0.750  1.0
[/CIF]
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The material structure described by BaTbWO6In crystallizes in the orthorhombic Pnnn space group. The structure consists of four 7440-74-6 atoms inside a BaTbWO6 framework. In the BaTbWO6 framework, there are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Tb(1)O6 octahedra, and faces with four equivalent W(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Tb(1)O6 octahedra, and faces with four equivalent W(1)O6 octahedra. Tb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TbO6 octahedra that share corners with six equivalent W(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 5-7°. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Tb(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 5-7°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(1), one Ba(2), one Tb(1), and one W(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(1), one Ba(2), one Tb(1), and one W(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Ba(2), one Tb(1), and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaTbInWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.004
_cell_length_b   6.004
_cell_length_c   8.509
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.932
_symmetry_Int_Tables_number   1
_cell_volume   306.775
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Ba  Ba1  1  1.000  0.000  0.500  1.0
  In  In2  1  0.500  0.500  0.500  1.0
  In  In3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.269  0.769  0.250  1.0
  O  O5  1  0.231  0.731  0.750  1.0
  O  O6  1  0.731  0.231  0.250  1.0
  O  O7  1  0.769  0.269  0.750  1.0
  O  O8  1  0.500  0.000  0.020  1.0
  O  O9  1  0.000  0.500  0.980  1.0
  O  O10  1  0.254  0.216  0.250  1.0
  O  O11  1  0.746  0.784  0.250  1.0
  O  O12  1  0.216  0.254  0.750  1.0
  O  O13  1  0.784  0.746  0.750  1.0
  O  O14  1  0.500  0.000  0.480  1.0
  O  O15  1  0.000  0.500  0.520  1.0
  Tb  Tb16  1  0.500  0.000  0.750  1.0
  Tb  Tb17  1  0.000  0.500  0.250  1.0
  W  W18  1  0.500  0.000  0.250  1.0
  W  W19  1  0.000  0.500  0.750  1.0
[/CIF]
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