The material structure described by Ba2GdGaTe5 crystallizes in the triclinic P-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(4), two equivalent Te(1), two equivalent Te(3), and two equivalent Te(5) atoms. Gd(1) is bonded to one Te(2), one Te(3), two equivalent Te(4), and two equivalent Te(5) atoms to form GdTe6 octahedra that share edges with two equivalent Gd(1)Te6 octahedra and edges with two equivalent Ga(1)Te4 tetrahedra. Ga(1) is bonded to one Te(1), one Te(2), one Te(3), and one Te(5) atom to form GaTe4 tetrahedra that share edges with two equivalent Gd(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 Ga(1) atom to form TeBa4Ga square pyramids that share corners with four equivalent Te(5)Ba3Gd2Ga octahedra, corners with four equivalent Te(4)Ba3Gd2 trigonal bipyramids, edges with two equivalent Te(1)Ba4Ga square pyramids,  an edgeedge with one Te(4)Ba3Gd2 trigonal bipyramid, and  a faceface with one Te(5)Ba3Gd2Ga octahedra. The corner-sharing octahedral tilt angles range from 44-64°. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one Gd(1), and one Ga(1) atom. In the third Te site, Te(3) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Gd(1), and one Ga(1) atom. In the fourth Te site, Te(4) is bonded to one Ba(2), two equivalent Ba(1), and two equivalent Gd(1) atoms to form distorted TeBa3Gd2 trigonal bipyramids that share corners with two equivalent Te(5)Ba3Gd2Ga octahedra, corners with four equivalent Te(1)Ba4Ga square pyramids, edges with three equivalent Te(5)Ba3Gd2Ga octahedra,  an edgeedge with one Te(1)Ba4Ga square pyramid, and edges with two equivalent Te(4)Ba3Gd2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-6°. In the fifth Te site, Te(5) is bonded to one Ba(1), two equivalent Ba(2), two equivalent Gd(1), and one Ga(1) atom to form distorted TeBa3Gd2Ga octahedra that share corners with four equivalent Te(1)Ba4Ga square pyramids, corners with two equivalent Te(4)Ba3Gd2 trigonal bipyramids, edges with two equivalent Te(5)Ba3Gd2Ga octahedra, edges with three equivalent Te(4)Ba3Gd2 trigonal bipyramids, and  a faceface with one Te(1)Ba4Ga square pyramid. is represented by the CIF card [CIF]
data_Ba2GdGaTe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.887
_cell_length_b   9.386
_cell_length_c   10.214
_cell_angle_alpha   103.464
_cell_angle_beta   103.162
_cell_angle_gamma   107.377
_symmetry_Int_Tables_number   1
_cell_volume   664.797
_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  0.355  0.514  0.712  1.0
  Ba  Ba1  1  0.645  0.486  0.288  1.0
  Ba  Ba2  1  0.639  0.981  0.292  1.0
  Ba  Ba3  1  0.361  0.019  0.708  1.0
  Gd  Gd4  1  0.999  0.733  0.999  1.0
  Gd  Gd5  1  0.001  0.267  0.001  1.0
  Ga  Ga6  1  0.808  0.873  0.688  1.0
  Ga  Ga7  1  0.192  0.127  0.312  1.0
  Te  Te8  1  0.484  0.741  0.491  1.0
  Te  Te9  1  0.516  0.259  0.509  1.0
  Te  Te10  1  0.987  0.674  0.680  1.0
  Te  Te11  1  0.013  0.326  0.320  1.0
  Te  Te12  1  0.987  0.160  0.683  1.0
  Te  Te13  1  0.013  0.840  0.317  1.0
  Te  Te14  1  0.698  0.408  0.943  1.0
  Te  Te15  1  0.302  0.592  0.057  1.0
  Te  Te16  1  0.708  0.909  0.930  1.0
  Te  Te17  1  0.292  0.091  0.070  1.0
[/CIF]
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The material structure described by Ba2GdGaTe5 crystallizes in the triclinic P-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(4), two equivalent Te(1), two equivalent Te(3), and two equivalent Te(5) atoms. Gd(1) is bonded to one Te(2), one Te(3), two equivalent Te(4), and two equivalent Te(5) atoms to form GdTe6 octahedra that share edges with two equivalent Gd(1)Te6 octahedra and edges with two equivalent Ga(1)Te4 tetrahedra. Ga(1) is bonded to one Te(1), one Te(2), one Te(3), and one Te(5) atom to form GaTe4 tetrahedra that share edges with two equivalent Gd(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 Ga(1) atom to form TeBa4Ga square pyramids that share corners with four equivalent Te(5)Ba3Gd2Ga octahedra, corners with four equivalent Te(4)Ba3Gd2 trigonal bipyramids, edges with two equivalent Te(1)Ba4Ga square pyramids,  an edgeedge with one Te(4)Ba3Gd2 trigonal bipyramid, and  a faceface with one Te(5)Ba3Gd2Ga octahedra. The corner-sharing octahedral tilt angles range from 44-64°. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one Gd(1), and one Ga(1) atom. In the third Te site, Te(3) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Gd(1), and one Ga(1) atom. In the fourth Te site, Te(4) is bonded to one Ba(2), two equivalent Ba(1), and two equivalent Gd(1) atoms to form distorted TeBa3Gd2 trigonal bipyramids that share corners with two equivalent Te(5)Ba3Gd2Ga octahedra, corners with four equivalent Te(1)Ba4Ga square pyramids, edges with three equivalent Te(5)Ba3Gd2Ga octahedra,  an edgeedge with one Te(1)Ba4Ga square pyramid, and edges with two equivalent Te(4)Ba3Gd2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-6°. In the fifth Te site, Te(5) is bonded to one Ba(1), two equivalent Ba(2), two equivalent Gd(1), and one Ga(1) atom to form distorted TeBa3Gd2Ga octahedra that share corners with four equivalent Te(1)Ba4Ga square pyramids, corners with two equivalent Te(4)Ba3Gd2 trigonal bipyramids, edges with two equivalent Te(5)Ba3Gd2Ga octahedra, edges with three equivalent Te(4)Ba3Gd2 trigonal bipyramids, and  a faceface with one Te(1)Ba4Ga square pyramid. is represented by the CIF card [CIF]
data_Ba2GdGaTe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.887
_cell_length_b   9.386
_cell_length_c   10.214
_cell_angle_alpha   103.464
_cell_angle_beta   103.162
_cell_angle_gamma   107.377
_symmetry_Int_Tables_number   1
_cell_volume   664.797
_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  0.355  0.514  0.712  1.0
  Ba  Ba1  1  0.645  0.486  0.288  1.0
  Ba  Ba2  1  0.639  0.981  0.292  1.0
  Ba  Ba3  1  0.361  0.019  0.708  1.0
  Gd  Gd4  1  0.999  0.733  0.999  1.0
  Gd  Gd5  1  0.001  0.267  0.001  1.0
  Ga  Ga6  1  0.808  0.873  0.688  1.0
  Ga  Ga7  1  0.192  0.127  0.312  1.0
  Te  Te8  1  0.484  0.741  0.491  1.0
  Te  Te9  1  0.516  0.259  0.509  1.0
  Te  Te10  1  0.987  0.674  0.680  1.0
  Te  Te11  1  0.013  0.326  0.320  1.0
  Te  Te12  1  0.987  0.160  0.683  1.0
  Te  Te13  1  0.013  0.840  0.317  1.0
  Te  Te14  1  0.698  0.408  0.943  1.0
  Te  Te15  1  0.302  0.592  0.057  1.0
  Te  Te16  1  0.708  0.909  0.930  1.0
  Te  Te17  1  0.292  0.091  0.070  1.0
[/CIF]
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