The material structure described by Ba2YBr7 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one Br(1), two equivalent Br(2), two equivalent Br(3), and two equivalent Br(4) atoms to form distorted BaBr7 pentagonal bipyramids that share corners with two equivalent Y(1)Br6 pentagonal pyramids, edges with two equivalent Ba(2)Br7 pentagonal bipyramids, edges with two equivalent Y(1)Br6 pentagonal pyramids, and  a faceface with one Ba(2)Br7 pentagonal bipyramid. In the second Ba site, Ba(2) is bonded to one Br(1), two equivalent Br(2), two equivalent Br(3), and two equivalent Br(4) atoms to form distorted BaBr7 pentagonal bipyramids that share corners with two equivalent Y(1)Br6 pentagonal pyramids, edges with two equivalent Ba(1)Br7 pentagonal bipyramids, edges with two equivalent Y(1)Br6 pentagonal pyramids, and  a faceface with one Ba(1)Br7 pentagonal bipyramid. Y(1) is bonded to two equivalent Br(2), two equivalent Br(3), and two equivalent Br(4) atoms to form distorted YBr6 pentagonal pyramids that share corners with two equivalent Ba(1)Br7 pentagonal bipyramids, corners with two equivalent Ba(2)Br7 pentagonal bipyramids, edges with two equivalent Ba(1)Br7 pentagonal bipyramids, and edges with two equivalent Ba(2)Br7 pentagonal bipyramids. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in an L-shaped geometry to one Ba(1) and one Ba(2) atom. In the second Br site, Br(2) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the third Br site, Br(3) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the fourth Br site, Br(4) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one Y(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2YBr7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.209
_cell_length_b   13.669
_cell_length_c   15.297
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1716.527
_cell_formula_units_Z   4
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  0.250  0.241  0.471  1.0
  Ba  Ba1  1  0.250  0.253  0.770  1.0
  Ba  Ba2  1  0.750  0.247  0.270  1.0
  Ba  Ba3  1  0.750  0.259  0.971  1.0
  Ba  Ba4  1  0.250  0.741  0.029  1.0
  Ba  Ba5  1  0.250  0.753  0.730  1.0
  Ba  Ba6  1  0.750  0.747  0.230  1.0
  Ba  Ba7  1  0.750  0.759  0.529  1.0
  Y  Y8  1  0.250  0.939  0.287  1.0
  Y  Y9  1  0.750  0.561  0.787  1.0
  Y  Y10  1  0.250  0.439  0.213  1.0
  Y  Y11  1  0.750  0.061  0.713  1.0
  Br  Br12  1  0.750  0.102  0.117  1.0
  Br  Br13  1  0.029  0.088  0.348  1.0
  Br  Br14  1  0.471  0.088  0.348  1.0
  Br  Br15  1  0.966  0.105  0.853  1.0
  Br  Br16  1  0.534  0.105  0.853  1.0
  Br  Br17  1  0.969  0.183  0.623  1.0
  Br  Br18  1  0.531  0.183  0.623  1.0
  Br  Br19  1  0.031  0.317  0.123  1.0
  Br  Br20  1  0.469  0.317  0.123  1.0
  Br  Br21  1  0.034  0.395  0.353  1.0
  Br  Br22  1  0.466  0.395  0.353  1.0
  Br  Br23  1  0.529  0.412  0.848  1.0
  Br  Br24  1  0.971  0.412  0.848  1.0
  Br  Br25  1  0.250  0.398  0.617  1.0
  Br  Br26  1  0.750  0.602  0.383  1.0
  Br  Br27  1  0.029  0.588  0.152  1.0
  Br  Br28  1  0.471  0.588  0.152  1.0
  Br  Br29  1  0.966  0.605  0.647  1.0
  Br  Br30  1  0.534  0.605  0.647  1.0
  Br  Br31  1  0.969  0.683  0.877  1.0
  Br  Br32  1  0.531  0.683  0.877  1.0
  Br  Br33  1  0.469  0.817  0.377  1.0
  Br  Br34  1  0.031  0.817  0.377  1.0
  Br  Br35  1  0.466  0.895  0.147  1.0
  Br  Br36  1  0.034  0.895  0.147  1.0
  Br  Br37  1  0.529  0.912  0.652  1.0
  Br  Br38  1  0.971  0.912  0.652  1.0
  Br  Br39  1  0.250  0.898  0.883  1.0
[/CIF]
.
The material structure described by Ba2YBr7 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one Br(1), two equivalent Br(2), two equivalent Br(3), and two equivalent Br(4) atoms to form distorted BaBr7 pentagonal bipyramids that share corners with two equivalent Y(1)Br6 pentagonal pyramids, edges with two equivalent Ba(2)Br7 pentagonal bipyramids, edges with two equivalent Y(1)Br6 pentagonal pyramids, and  a faceface with one Ba(2)Br7 pentagonal bipyramid. In the second Ba site, Ba(2) is bonded to one Br(1), two equivalent Br(2), two equivalent Br(3), and two equivalent Br(4) atoms to form distorted BaBr7 pentagonal bipyramids that share corners with two equivalent Y(1)Br6 pentagonal pyramids, edges with two equivalent Ba(1)Br7 pentagonal bipyramids, edges with two equivalent Y(1)Br6 pentagonal pyramids, and  a faceface with one Ba(1)Br7 pentagonal bipyramid. Y(1) is bonded to two equivalent Br(2), two equivalent Br(3), and two equivalent Br(4) atoms to form distorted YBr6 pentagonal pyramids that share corners with two equivalent Ba(1)Br7 pentagonal bipyramids, corners with two equivalent Ba(2)Br7 pentagonal bipyramids, edges with two equivalent Ba(1)Br7 pentagonal bipyramids, and edges with two equivalent Ba(2)Br7 pentagonal bipyramids. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in an L-shaped geometry to one Ba(1) and one Ba(2) atom. In the second Br site, Br(2) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the third Br site, Br(3) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the fourth Br site, Br(4) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one Y(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2YBr7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.209
_cell_length_b   13.669
_cell_length_c   15.297
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1716.527
_cell_formula_units_Z   4
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  0.250  0.241  0.471  1.0
  Ba  Ba1  1  0.250  0.253  0.770  1.0
  Ba  Ba2  1  0.750  0.247  0.270  1.0
  Ba  Ba3  1  0.750  0.259  0.971  1.0
  Ba  Ba4  1  0.250  0.741  0.029  1.0
  Ba  Ba5  1  0.250  0.753  0.730  1.0
  Ba  Ba6  1  0.750  0.747  0.230  1.0
  Ba  Ba7  1  0.750  0.759  0.529  1.0
  Y  Y8  1  0.250  0.939  0.287  1.0
  Y  Y9  1  0.750  0.561  0.787  1.0
  Y  Y10  1  0.250  0.439  0.213  1.0
  Y  Y11  1  0.750  0.061  0.713  1.0
  Br  Br12  1  0.750  0.102  0.117  1.0
  Br  Br13  1  0.029  0.088  0.348  1.0
  Br  Br14  1  0.471  0.088  0.348  1.0
  Br  Br15  1  0.966  0.105  0.853  1.0
  Br  Br16  1  0.534  0.105  0.853  1.0
  Br  Br17  1  0.969  0.183  0.623  1.0
  Br  Br18  1  0.531  0.183  0.623  1.0
  Br  Br19  1  0.031  0.317  0.123  1.0
  Br  Br20  1  0.469  0.317  0.123  1.0
  Br  Br21  1  0.034  0.395  0.353  1.0
  Br  Br22  1  0.466  0.395  0.353  1.0
  Br  Br23  1  0.529  0.412  0.848  1.0
  Br  Br24  1  0.971  0.412  0.848  1.0
  Br  Br25  1  0.250  0.398  0.617  1.0
  Br  Br26  1  0.750  0.602  0.383  1.0
  Br  Br27  1  0.029  0.588  0.152  1.0
  Br  Br28  1  0.471  0.588  0.152  1.0
  Br  Br29  1  0.966  0.605  0.647  1.0
  Br  Br30  1  0.534  0.605  0.647  1.0
  Br  Br31  1  0.969  0.683  0.877  1.0
  Br  Br32  1  0.531  0.683  0.877  1.0
  Br  Br33  1  0.469  0.817  0.377  1.0
  Br  Br34  1  0.031  0.817  0.377  1.0
  Br  Br35  1  0.466  0.895  0.147  1.0
  Br  Br36  1  0.034  0.895  0.147  1.0
  Br  Br37  1  0.529  0.912  0.652  1.0
  Br  Br38  1  0.971  0.912  0.652  1.0
  Br  Br39  1  0.250  0.898  0.883  1.0
[/CIF]
.