The structure described by Ba2YBr7 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one Br(1), one Br(11), one Br(12), one Br(14), one Br(2), one Br(3), one Br(5), one Br(8), and one Br(9) atom. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one Br(10), one Br(13), one Br(3), one Br(4), one Br(5), one Br(6), one Br(7), and one Br(9) atom. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one Br(1), one Br(10), one Br(12), one Br(14), one Br(2), one Br(4), one Br(6), one Br(8), and one Br(9) atom. In the fourth Ba site, Ba(4) is bonded in a 9-coordinate geometry to one Br(1), one Br(10), one Br(11), one Br(12), one Br(13), one Br(2), one Br(5), and two equivalent Br(7) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in an octahedral geometry to one Br(11), one Br(13), one Br(3), one Br(5), one Br(6), and one Br(7) atom. In the second Y site, Y(2) is bonded in an octahedral geometry to one Br(1), one Br(12), one Br(14), one Br(2), one Br(4), and one Br(8) atom. There are fourteen inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted trigonal pyramidal geometry to one Ba(1), one Ba(3), one Ba(4), and one Y(2) atom. In the second Br site, Br(2) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), and one Y(2) atom. In the third Br site, Br(3) is bonded in a distorted trigonal planar 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 trigonal planar geometry to one Ba(2), one Ba(3), and one Y(2) atom. In the fifth Br site, Br(5) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), and one Y(1) atom. In the sixth Br site, Br(6) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ba(3), and one Y(1) atom. In the seventh Br site, Br(7) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(4), and one Y(1) atom. In the eighth Br site, Br(8) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(3), and one Y(2) atom. In the ninth Br site, Br(9) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), and one Ba(3) atom. In the tenth Br site, Br(10) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Ba(3), and one Ba(4) atom. In the eleventh Br site, Br(11) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(4), and one Y(1) atom. In the twelfth Br site, Br(12) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), and one Y(2) atom. In the thirteenth Br site, Br(13) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(4), and one Y(1) atom. In the fourteenth Br site, Br(14) is bonded in a distorted L-shaped geometry to one Ba(1), one Ba(3), and one Y(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2YBr7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.432
_cell_length_b   7.595
_cell_length_c   13.278
_cell_angle_alpha   83.168
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1445.106
_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  0.544  0.769  0.744  1.0
  Ba  Ba1  1  0.136  0.735  0.625  1.0
  Ba  Ba2  1  0.786  0.747  0.125  1.0
  Ba  Ba3  1  0.369  0.702  0.233  1.0
  Ba  Ba4  1  0.869  0.298  0.767  1.0
  Ba  Ba5  1  0.286  0.253  0.875  1.0
  Ba  Ba6  1  0.636  0.265  0.375  1.0
  Ba  Ba7  1  0.044  0.231  0.256  1.0
  Y  Y8  1  0.845  0.813  0.547  1.0
  Y  Y9  1  0.076  0.795  0.044  1.0
  Y  Y10  1  0.576  0.205  0.956  1.0
  Y  Y11  1  0.345  0.187  0.453  1.0
  Br  Br12  1  0.706  0.962  0.890  1.0
  Br  Br13  1  0.437  0.941  0.984  1.0
  Br  Br14  1  0.497  0.958  0.502  1.0
  Br  Br15  1  0.151  0.884  0.856  1.0
  Br  Br16  1  0.233  0.910  0.394  1.0
  Br  Br17  1  0.771  0.893  0.356  1.0
  Br  Br18  1  0.915  0.791  0.744  1.0
  Br  Br19  1  0.010  0.772  0.245  1.0
  Br  Br20  1  0.336  0.616  0.727  1.0
  Br  Br21  1  0.587  0.623  0.224  1.0
  Br  Br22  1  0.702  0.570  0.607  1.0
  Br  Br23  1  0.705  0.479  0.903  1.0
  Br  Br24  1  0.955  0.518  0.530  1.0
  Br  Br25  1  0.451  0.465  0.989  1.0
  Br  Br26  1  0.951  0.535  0.011  1.0
  Br  Br27  1  0.455  0.482  0.470  1.0
  Br  Br28  1  0.205  0.521  0.097  1.0
  Br  Br29  1  0.202  0.430  0.393  1.0
  Br  Br30  1  0.087  0.377  0.776  1.0
  Br  Br31  1  0.836  0.384  0.273  1.0
  Br  Br32  1  0.510  0.228  0.755  1.0
  Br  Br33  1  0.415  0.209  0.256  1.0
  Br  Br34  1  0.271  0.107  0.644  1.0
  Br  Br35  1  0.733  0.090  0.606  1.0
  Br  Br36  1  0.651  0.116  0.144  1.0
  Br  Br37  1  0.997  0.042  0.498  1.0
  Br  Br38  1  0.937  0.059  0.016  1.0
  Br  Br39  1  0.206  0.038  0.110  1.0
[/CIF]
.
The structure described by Ba2YBr7 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one Br(1), one Br(11), one Br(12), one Br(14), one Br(2), one Br(3), one Br(5), one Br(8), and one Br(9) atom. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one Br(10), one Br(13), one Br(3), one Br(4), one Br(5), one Br(6), one Br(7), and one Br(9) atom. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one Br(1), one Br(10), one Br(12), one Br(14), one Br(2), one Br(4), one Br(6), one Br(8), and one Br(9) atom. In the fourth Ba site, Ba(4) is bonded in a 9-coordinate geometry to one Br(1), one Br(10), one Br(11), one Br(12), one Br(13), one Br(2), one Br(5), and two equivalent Br(7) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in an octahedral geometry to one Br(11), one Br(13), one Br(3), one Br(5), one Br(6), and one Br(7) atom. In the second Y site, Y(2) is bonded in an octahedral geometry to one Br(1), one Br(12), one Br(14), one Br(2), one Br(4), and one Br(8) atom. There are fourteen inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted trigonal pyramidal geometry to one Ba(1), one Ba(3), one Ba(4), and one Y(2) atom. In the second Br site, Br(2) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), and one Y(2) atom. In the third Br site, Br(3) is bonded in a distorted trigonal planar 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 trigonal planar geometry to one Ba(2), one Ba(3), and one Y(2) atom. In the fifth Br site, Br(5) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), and one Y(1) atom. In the sixth Br site, Br(6) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ba(3), and one Y(1) atom. In the seventh Br site, Br(7) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(4), and one Y(1) atom. In the eighth Br site, Br(8) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(3), and one Y(2) atom. In the ninth Br site, Br(9) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), and one Ba(3) atom. In the tenth Br site, Br(10) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Ba(3), and one Ba(4) atom. In the eleventh Br site, Br(11) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(4), and one Y(1) atom. In the twelfth Br site, Br(12) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), and one Y(2) atom. In the thirteenth Br site, Br(13) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(4), and one Y(1) atom. In the fourteenth Br site, Br(14) is bonded in a distorted L-shaped geometry to one Ba(1), one Ba(3), and one Y(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2YBr7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.432
_cell_length_b   7.595
_cell_length_c   13.278
_cell_angle_alpha   83.168
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1445.106
_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  0.544  0.769  0.744  1.0
  Ba  Ba1  1  0.136  0.735  0.625  1.0
  Ba  Ba2  1  0.786  0.747  0.125  1.0
  Ba  Ba3  1  0.369  0.702  0.233  1.0
  Ba  Ba4  1  0.869  0.298  0.767  1.0
  Ba  Ba5  1  0.286  0.253  0.875  1.0
  Ba  Ba6  1  0.636  0.265  0.375  1.0
  Ba  Ba7  1  0.044  0.231  0.256  1.0
  Y  Y8  1  0.845  0.813  0.547  1.0
  Y  Y9  1  0.076  0.795  0.044  1.0
  Y  Y10  1  0.576  0.205  0.956  1.0
  Y  Y11  1  0.345  0.187  0.453  1.0
  Br  Br12  1  0.706  0.962  0.890  1.0
  Br  Br13  1  0.437  0.941  0.984  1.0
  Br  Br14  1  0.497  0.958  0.502  1.0
  Br  Br15  1  0.151  0.884  0.856  1.0
  Br  Br16  1  0.233  0.910  0.394  1.0
  Br  Br17  1  0.771  0.893  0.356  1.0
  Br  Br18  1  0.915  0.791  0.744  1.0
  Br  Br19  1  0.010  0.772  0.245  1.0
  Br  Br20  1  0.336  0.616  0.727  1.0
  Br  Br21  1  0.587  0.623  0.224  1.0
  Br  Br22  1  0.702  0.570  0.607  1.0
  Br  Br23  1  0.705  0.479  0.903  1.0
  Br  Br24  1  0.955  0.518  0.530  1.0
  Br  Br25  1  0.451  0.465  0.989  1.0
  Br  Br26  1  0.951  0.535  0.011  1.0
  Br  Br27  1  0.455  0.482  0.470  1.0
  Br  Br28  1  0.205  0.521  0.097  1.0
  Br  Br29  1  0.202  0.430  0.393  1.0
  Br  Br30  1  0.087  0.377  0.776  1.0
  Br  Br31  1  0.836  0.384  0.273  1.0
  Br  Br32  1  0.510  0.228  0.755  1.0
  Br  Br33  1  0.415  0.209  0.256  1.0
  Br  Br34  1  0.271  0.107  0.644  1.0
  Br  Br35  1  0.733  0.090  0.606  1.0
  Br  Br36  1  0.651  0.116  0.144  1.0
  Br  Br37  1  0.997  0.042  0.498  1.0
  Br  Br38  1  0.937  0.059  0.016  1.0
  Br  Br39  1  0.206  0.038  0.110  1.0
[/CIF]
.