The material described by Ba2YInTe5 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one Te(3), one Te(5), two equivalent Te(1), two equivalent Te(2), and two equivalent Te(4) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one Te(2), one Te(5), two equivalent Te(1), two equivalent Te(3), and two equivalent Te(4) atoms. Y(1) is bonded to one Te(1), one Te(5), two equivalent Te(2), and two equivalent Te(3) atoms to form YTe6 octahedra that share edges with two equivalent Y(1)Te6 octahedra and edges with two equivalent In(1)Te4 tetrahedra. In(1) is bonded to one Te(3), one Te(4), and two equivalent Te(5) atoms to form InTe4 tetrahedra that share corners with two equivalent In(1)Te4 tetrahedra and edges with two equivalent Y(1)Te6 octahedra. There are five inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), and one Y(1) atom to form TeBa4Y square pyramids that share corners with two equivalent Te(3)Ba3Y2In octahedra, corners with four equivalent Te(4)Ba4In square pyramids, corners with two equivalent Te(2)Ba3Y2 trigonal bipyramids, edges with three equivalent Te(3)Ba3Y2In octahedra, edges with two equivalent Te(4)Ba4In square pyramids, edges with two equivalent Te(1)Ba4Y square pyramids, and edges with three equivalent Te(2)Ba3Y2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 31°. In the second Te site, Te(2) is bonded to one Ba(2), two equivalent Ba(1), and two equivalent Y(1) atoms to form distorted TeBa3Y2 trigonal bipyramids that share corners with two equivalent Te(3)Ba3Y2In octahedra, corners with two equivalent Te(1)Ba4Y square pyramids, corners with four equivalent Te(4)Ba4In square pyramids, edges with three equivalent Te(3)Ba3Y2In octahedra,  an edgeedge with one Te(4)Ba4In square pyramid, edges with three equivalent Te(1)Ba4Y square pyramids, and edges with two equivalent Te(2)Ba3Y2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 8°. In the third Te site, Te(3) is bonded to one Ba(1), two equivalent Ba(2), two equivalent Y(1), and one In(1) atom to form TeBa3Y2In octahedra that share corners with two equivalent Te(1)Ba4Y square pyramids, corners with four equivalent Te(4)Ba4In square pyramids, corners with two equivalent Te(2)Ba3Y2 trigonal bipyramids, edges with two equivalent Te(3)Ba3Y2In octahedra, edges with three equivalent Te(1)Ba4Y square pyramids, edges with three equivalent Te(2)Ba3Y2 trigonal bipyramids, and  a faceface with one Te(4)Ba4In square pyramid. In the fourth Te site, Te(4) is bonded to two equivalent Ba(1), two equivalent Ba(2), and one In(1) atom to form TeBa4In square pyramids that share corners with four equivalent Te(3)Ba3Y2In octahedra, corners with four equivalent Te(1)Ba4Y square pyramids, corners with four equivalent Te(2)Ba3Y2 trigonal bipyramids, edges with two equivalent Te(4)Ba4In square pyramids, edges with two equivalent Te(1)Ba4Y square pyramids,  an edgeedge with one Te(2)Ba3Y2 trigonal bipyramid, and  a faceface with one Te(3)Ba3Y2In octahedra. The corner-sharing octahedral tilt angles range from 42-62°. In the fifth Te site, Te(5) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Y(1), and two equivalent In(1) atoms. is represented by the CIF card [CIF]
data_Ba2YInTe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.433
_cell_length_b   10.433
_cell_length_c   14.133
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   153.663
_symmetry_Int_Tables_number   1
_cell_volume   682.481
_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  0.130  0.870  0.816  1.0
  Ba  Ba1  1  0.870  0.130  0.316  1.0
  Ba  Ba2  1  0.119  0.881  0.181  1.0
  Ba  Ba3  1  0.881  0.119  0.681  1.0
  Y  Y4  1  0.209  0.791  0.519  1.0
  Y  Y5  1  0.791  0.209  0.019  1.0
  In  In6  1  0.444  0.556  0.936  1.0
  In  In7  1  0.556  0.444  0.436  1.0
  Te  Te8  1  0.356  0.644  0.502  1.0
  Te  Te9  1  0.644  0.356  0.002  1.0
  Te  Te10  1  0.294  0.706  0.159  1.0
  Te  Te11  1  0.706  0.294  0.659  1.0
  Te  Te12  1  0.309  0.691  0.867  1.0
  Te  Te13  1  0.691  0.309  0.367  1.0
  Te  Te14  1  0.506  0.494  0.760  1.0
  Te  Te15  1  0.494  0.506  0.260  1.0
  Te  Te16  1  0.052  0.948  0.553  1.0
  Te  Te17  1  0.948  0.052  0.053  1.0
[/CIF]
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The material described by Ba2YInTe5 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one Te(3), one Te(5), two equivalent Te(1), two equivalent Te(2), and two equivalent Te(4) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one Te(2), one Te(5), two equivalent Te(1), two equivalent Te(3), and two equivalent Te(4) atoms. Y(1) is bonded to one Te(1), one Te(5), two equivalent Te(2), and two equivalent Te(3) atoms to form YTe6 octahedra that share edges with two equivalent Y(1)Te6 octahedra and edges with two equivalent In(1)Te4 tetrahedra. In(1) is bonded to one Te(3), one Te(4), and two equivalent Te(5) atoms to form InTe4 tetrahedra that share corners with two equivalent In(1)Te4 tetrahedra and edges with two equivalent Y(1)Te6 octahedra. There are five inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), and one Y(1) atom to form TeBa4Y square pyramids that share corners with two equivalent Te(3)Ba3Y2In octahedra, corners with four equivalent Te(4)Ba4In square pyramids, corners with two equivalent Te(2)Ba3Y2 trigonal bipyramids, edges with three equivalent Te(3)Ba3Y2In octahedra, edges with two equivalent Te(4)Ba4In square pyramids, edges with two equivalent Te(1)Ba4Y square pyramids, and edges with three equivalent Te(2)Ba3Y2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 31°. In the second Te site, Te(2) is bonded to one Ba(2), two equivalent Ba(1), and two equivalent Y(1) atoms to form distorted TeBa3Y2 trigonal bipyramids that share corners with two equivalent Te(3)Ba3Y2In octahedra, corners with two equivalent Te(1)Ba4Y square pyramids, corners with four equivalent Te(4)Ba4In square pyramids, edges with three equivalent Te(3)Ba3Y2In octahedra,  an edgeedge with one Te(4)Ba4In square pyramid, edges with three equivalent Te(1)Ba4Y square pyramids, and edges with two equivalent Te(2)Ba3Y2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 8°. In the third Te site, Te(3) is bonded to one Ba(1), two equivalent Ba(2), two equivalent Y(1), and one In(1) atom to form TeBa3Y2In octahedra that share corners with two equivalent Te(1)Ba4Y square pyramids, corners with four equivalent Te(4)Ba4In square pyramids, corners with two equivalent Te(2)Ba3Y2 trigonal bipyramids, edges with two equivalent Te(3)Ba3Y2In octahedra, edges with three equivalent Te(1)Ba4Y square pyramids, edges with three equivalent Te(2)Ba3Y2 trigonal bipyramids, and  a faceface with one Te(4)Ba4In square pyramid. In the fourth Te site, Te(4) is bonded to two equivalent Ba(1), two equivalent Ba(2), and one In(1) atom to form TeBa4In square pyramids that share corners with four equivalent Te(3)Ba3Y2In octahedra, corners with four equivalent Te(1)Ba4Y square pyramids, corners with four equivalent Te(2)Ba3Y2 trigonal bipyramids, edges with two equivalent Te(4)Ba4In square pyramids, edges with two equivalent Te(1)Ba4Y square pyramids,  an edgeedge with one Te(2)Ba3Y2 trigonal bipyramid, and  a faceface with one Te(3)Ba3Y2In octahedra. The corner-sharing octahedral tilt angles range from 42-62°. In the fifth Te site, Te(5) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Y(1), and two equivalent In(1) atoms. is represented by the CIF card [CIF]
data_Ba2YInTe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.433
_cell_length_b   10.433
_cell_length_c   14.133
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   153.663
_symmetry_Int_Tables_number   1
_cell_volume   682.481
_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  0.130  0.870  0.816  1.0
  Ba  Ba1  1  0.870  0.130  0.316  1.0
  Ba  Ba2  1  0.119  0.881  0.181  1.0
  Ba  Ba3  1  0.881  0.119  0.681  1.0
  Y  Y4  1  0.209  0.791  0.519  1.0
  Y  Y5  1  0.791  0.209  0.019  1.0
  In  In6  1  0.444  0.556  0.936  1.0
  In  In7  1  0.556  0.444  0.436  1.0
  Te  Te8  1  0.356  0.644  0.502  1.0
  Te  Te9  1  0.644  0.356  0.002  1.0
  Te  Te10  1  0.294  0.706  0.159  1.0
  Te  Te11  1  0.706  0.294  0.659  1.0
  Te  Te12  1  0.309  0.691  0.867  1.0
  Te  Te13  1  0.691  0.309  0.367  1.0
  Te  Te14  1  0.506  0.494  0.760  1.0
  Te  Te15  1  0.494  0.506  0.260  1.0
  Te  Te16  1  0.052  0.948  0.553  1.0
  Te  Te17  1  0.948  0.052  0.053  1.0
[/CIF]
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