The material structure described by Ba2Y5Cl19 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted rectangular see-saw-like geometry to one Cl(13), one Cl(2), one Cl(4), and one Cl(9) atom. In the second Ba site, Ba(2) is bonded in a distorted rectangular see-saw-like geometry to one Cl(11), one Cl(17), one Cl(19), one Cl(4), and one Cl(7) atom. There are five inequivalent Y sites. In the first Y site, Y(1) is bonded to one Cl(18), one Cl(6), one Cl(7), one Cl(8), and two equivalent Cl(1) atoms to form corner-sharing YCl6 octahedra. The corner-sharing octahedral tilt angles range from 24-37°. In the second Y site, Y(2) is bonded to one Cl(10), one Cl(14), one Cl(15), one Cl(3), and two equivalent Cl(5) atoms to form corner-sharing YCl6 octahedra. The corner-sharing octahedral tilt angles range from 15-27°. In the third Y site, Y(3) is bonded to one Cl(11), one Cl(12), one Cl(16), one Cl(2), one Cl(3), and one Cl(4) atom to form corner-sharing YCl6 octahedra. The corner-sharing octahedral tilt angles range from 23-43°. In the fourth Y site, Y(4) is bonded to one Cl(17), one Cl(18), one Cl(19), one Cl(6), one Cl(8), and one Cl(9) atom to form corner-sharing YCl6 octahedra. The corner-sharing octahedral tilt angles range from 30-37°. In the fifth Y site, Y(5) is bonded to one Cl(10), one Cl(12), one Cl(13), one Cl(14), one Cl(15), and one Cl(16) atom to form corner-sharing YCl6 octahedra. The corner-sharing octahedral tilt angles range from 20-43°. There are nineteen inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a bent 150 degrees geometry to two equivalent Y(1) atoms. In the second Cl site, Cl(2) is bonded in a bent 150 degrees geometry to one Ba(1) and one Y(3) atom. In the third Cl site, Cl(3) is bonded in a bent 150 degrees geometry to one Y(2) and one Y(3) atom. In the fourth Cl site, Cl(4) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(3) atom. In the fifth Cl site, Cl(5) is bonded in a linear geometry to two equivalent Y(2) atoms. In the sixth Cl site, Cl(6) is bonded in a bent 150 degrees geometry to one Y(1) and one Y(4) atom. In the seventh Cl site, Cl(7) is bonded in a bent 150 degrees geometry to one Ba(2) and one Y(1) atom. In the eighth Cl site, Cl(8) is bonded in a bent 150 degrees geometry to one Y(1) and one Y(4) atom. In the ninth Cl site, Cl(9) is bonded in a bent 120 degrees geometry to one Ba(1) and one Y(4) atom. In the tenth Cl site, Cl(10) is bonded in a bent 150 degrees geometry to one Y(2) and one Y(5) atom. In the eleventh Cl site, Cl(11) is bonded in a bent 120 degrees geometry to one Ba(2) and one Y(3) atom. In the twelfth Cl site, Cl(12) is bonded in a bent 150 degrees geometry to one Y(3) and one Y(5) atom. In the thirteenth Cl site, Cl(13) is bonded in a bent 150 degrees geometry to one Ba(1) and one Y(5) atom. In the fourteenth Cl site, Cl(14) is bonded in a bent 150 degrees geometry to one Y(2) and one Y(5) atom. In the fifteenth Cl site, Cl(15) is bonded in a bent 150 degrees geometry to one Y(2) and one Y(5) atom. In the sixteenth Cl site, Cl(16) is bonded in a bent 150 degrees geometry to one Y(3) and one Y(5) atom. In the seventeenth Cl site, Cl(17) is bonded in a 2-coordinate geometry to one Ba(2) and one Y(4) atom. In the eighteenth Cl site, Cl(18) is bonded in a bent 150 degrees geometry to one Y(1) and one Y(4) atom. In the nineteenth Cl site, Cl(19) is bonded in a bent 150 degrees geometry to one Ba(2) and one Y(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2Y5Cl19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.437
_cell_length_b   9.197
_cell_length_c   29.757
_cell_angle_alpha   84.004
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   2024.216
_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  0.214  0.772  0.743  1.0
  Ba  Ba1  1  0.290  0.755  0.175  1.0
  Ba  Ba2  1  0.790  0.245  0.825  1.0
  Ba  Ba3  1  0.714  0.228  0.257  1.0
  Y  Y4  1  0.762  0.835  0.970  1.0
  Y  Y5  1  0.743  0.823  0.539  1.0
  Y  Y6  1  0.235  0.853  0.327  1.0
  Y  Y7  1  0.271  0.568  0.896  1.0
  Y  Y8  1  0.250  0.460  0.604  1.0
  Y  Y9  1  0.750  0.540  0.396  1.0
  Y  Y10  1  0.771  0.432  0.104  1.0
  Y  Y11  1  0.735  0.147  0.673  1.0
  Y  Y12  1  0.243  0.177  0.461  1.0
  Y  Y13  1  0.262  0.165  0.030  1.0
  Cl  Cl14  1  0.065  0.963  0.993  1.0
  Cl  Cl15  1  0.434  0.030  0.707  1.0
  Cl  Cl16  1  0.760  0.939  0.617  1.0
  Cl  Cl17  1  0.896  0.978  0.741  1.0
  Cl  Cl18  1  0.026  0.971  0.502  1.0
  Cl  Cl19  1  0.454  0.698  0.957  1.0
  Cl  Cl20  1  0.244  0.021  0.110  1.0
  Cl  Cl21  1  0.955  0.630  0.934  1.0
  Cl  Cl22  1  0.269  0.810  0.840  1.0
  Cl  Cl23  1  0.446  0.693  0.574  1.0
  Cl  Cl24  1  0.230  0.648  0.272  1.0
  Cl  Cl25  1  0.551  0.767  0.363  1.0
  Cl  Cl26  1  0.269  0.528  0.686  1.0
  Cl  Cl27  1  0.722  0.641  0.477  1.0
  Cl  Cl28  1  0.961  0.625  0.583  1.0
  Cl  Cl29  1  0.058  0.688  0.390  1.0
  Cl  Cl30  1  0.614  0.560  0.172  1.0
  Cl  Cl31  1  0.259  0.314  0.948  1.0
  Cl  Cl32  1  0.572  0.479  0.861  1.0
  Cl  Cl33  1  0.072  0.521  0.139  1.0
  Cl  Cl34  1  0.759  0.686  0.052  1.0
  Cl  Cl35  1  0.114  0.440  0.828  1.0
  Cl  Cl36  1  0.558  0.312  0.610  1.0
  Cl  Cl37  1  0.461  0.375  0.417  1.0
  Cl  Cl38  1  0.222  0.359  0.523  1.0
  Cl  Cl39  1  0.769  0.472  0.314  1.0
  Cl  Cl40  1  0.051  0.233  0.637  1.0
  Cl  Cl41  1  0.730  0.352  0.728  1.0
  Cl  Cl42  1  0.946  0.307  0.426  1.0
  Cl  Cl43  1  0.769  0.190  0.160  1.0
  Cl  Cl44  1  0.455  0.370  0.066  1.0
  Cl  Cl45  1  0.744  0.979  0.890  1.0
  Cl  Cl46  1  0.954  0.302  0.043  1.0
  Cl  Cl47  1  0.526  0.029  0.498  1.0
  Cl  Cl48  1  0.396  0.022  0.259  1.0
  Cl  Cl49  1  0.260  0.061  0.383  1.0
  Cl  Cl50  1  0.934  0.970  0.293  1.0
  Cl  Cl51  1  0.565  0.037  0.007  1.0
[/CIF]
.
The material structure described by Ba2Y5Cl19 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted rectangular see-saw-like geometry to one Cl(13), one Cl(2), one Cl(4), and one Cl(9) atom. In the second Ba site, Ba(2) is bonded in a distorted rectangular see-saw-like geometry to one Cl(11), one Cl(17), one Cl(19), one Cl(4), and one Cl(7) atom. There are five inequivalent Y sites. In the first Y site, Y(1) is bonded to one Cl(18), one Cl(6), one Cl(7), one Cl(8), and two equivalent Cl(1) atoms to form corner-sharing YCl6 octahedra. The corner-sharing octahedral tilt angles range from 24-37°. In the second Y site, Y(2) is bonded to one Cl(10), one Cl(14), one Cl(15), one Cl(3), and two equivalent Cl(5) atoms to form corner-sharing YCl6 octahedra. The corner-sharing octahedral tilt angles range from 15-27°. In the third Y site, Y(3) is bonded to one Cl(11), one Cl(12), one Cl(16), one Cl(2), one Cl(3), and one Cl(4) atom to form corner-sharing YCl6 octahedra. The corner-sharing octahedral tilt angles range from 23-43°. In the fourth Y site, Y(4) is bonded to one Cl(17), one Cl(18), one Cl(19), one Cl(6), one Cl(8), and one Cl(9) atom to form corner-sharing YCl6 octahedra. The corner-sharing octahedral tilt angles range from 30-37°. In the fifth Y site, Y(5) is bonded to one Cl(10), one Cl(12), one Cl(13), one Cl(14), one Cl(15), and one Cl(16) atom to form corner-sharing YCl6 octahedra. The corner-sharing octahedral tilt angles range from 20-43°. There are nineteen inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a bent 150 degrees geometry to two equivalent Y(1) atoms. In the second Cl site, Cl(2) is bonded in a bent 150 degrees geometry to one Ba(1) and one Y(3) atom. In the third Cl site, Cl(3) is bonded in a bent 150 degrees geometry to one Y(2) and one Y(3) atom. In the fourth Cl site, Cl(4) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(3) atom. In the fifth Cl site, Cl(5) is bonded in a linear geometry to two equivalent Y(2) atoms. In the sixth Cl site, Cl(6) is bonded in a bent 150 degrees geometry to one Y(1) and one Y(4) atom. In the seventh Cl site, Cl(7) is bonded in a bent 150 degrees geometry to one Ba(2) and one Y(1) atom. In the eighth Cl site, Cl(8) is bonded in a bent 150 degrees geometry to one Y(1) and one Y(4) atom. In the ninth Cl site, Cl(9) is bonded in a bent 120 degrees geometry to one Ba(1) and one Y(4) atom. In the tenth Cl site, Cl(10) is bonded in a bent 150 degrees geometry to one Y(2) and one Y(5) atom. In the eleventh Cl site, Cl(11) is bonded in a bent 120 degrees geometry to one Ba(2) and one Y(3) atom. In the twelfth Cl site, Cl(12) is bonded in a bent 150 degrees geometry to one Y(3) and one Y(5) atom. In the thirteenth Cl site, Cl(13) is bonded in a bent 150 degrees geometry to one Ba(1) and one Y(5) atom. In the fourteenth Cl site, Cl(14) is bonded in a bent 150 degrees geometry to one Y(2) and one Y(5) atom. In the fifteenth Cl site, Cl(15) is bonded in a bent 150 degrees geometry to one Y(2) and one Y(5) atom. In the sixteenth Cl site, Cl(16) is bonded in a bent 150 degrees geometry to one Y(3) and one Y(5) atom. In the seventeenth Cl site, Cl(17) is bonded in a 2-coordinate geometry to one Ba(2) and one Y(4) atom. In the eighteenth Cl site, Cl(18) is bonded in a bent 150 degrees geometry to one Y(1) and one Y(4) atom. In the nineteenth Cl site, Cl(19) is bonded in a bent 150 degrees geometry to one Ba(2) and one Y(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2Y5Cl19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.437
_cell_length_b   9.197
_cell_length_c   29.757
_cell_angle_alpha   84.004
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   2024.216
_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  0.214  0.772  0.743  1.0
  Ba  Ba1  1  0.290  0.755  0.175  1.0
  Ba  Ba2  1  0.790  0.245  0.825  1.0
  Ba  Ba3  1  0.714  0.228  0.257  1.0
  Y  Y4  1  0.762  0.835  0.970  1.0
  Y  Y5  1  0.743  0.823  0.539  1.0
  Y  Y6  1  0.235  0.853  0.327  1.0
  Y  Y7  1  0.271  0.568  0.896  1.0
  Y  Y8  1  0.250  0.460  0.604  1.0
  Y  Y9  1  0.750  0.540  0.396  1.0
  Y  Y10  1  0.771  0.432  0.104  1.0
  Y  Y11  1  0.735  0.147  0.673  1.0
  Y  Y12  1  0.243  0.177  0.461  1.0
  Y  Y13  1  0.262  0.165  0.030  1.0
  Cl  Cl14  1  0.065  0.963  0.993  1.0
  Cl  Cl15  1  0.434  0.030  0.707  1.0
  Cl  Cl16  1  0.760  0.939  0.617  1.0
  Cl  Cl17  1  0.896  0.978  0.741  1.0
  Cl  Cl18  1  0.026  0.971  0.502  1.0
  Cl  Cl19  1  0.454  0.698  0.957  1.0
  Cl  Cl20  1  0.244  0.021  0.110  1.0
  Cl  Cl21  1  0.955  0.630  0.934  1.0
  Cl  Cl22  1  0.269  0.810  0.840  1.0
  Cl  Cl23  1  0.446  0.693  0.574  1.0
  Cl  Cl24  1  0.230  0.648  0.272  1.0
  Cl  Cl25  1  0.551  0.767  0.363  1.0
  Cl  Cl26  1  0.269  0.528  0.686  1.0
  Cl  Cl27  1  0.722  0.641  0.477  1.0
  Cl  Cl28  1  0.961  0.625  0.583  1.0
  Cl  Cl29  1  0.058  0.688  0.390  1.0
  Cl  Cl30  1  0.614  0.560  0.172  1.0
  Cl  Cl31  1  0.259  0.314  0.948  1.0
  Cl  Cl32  1  0.572  0.479  0.861  1.0
  Cl  Cl33  1  0.072  0.521  0.139  1.0
  Cl  Cl34  1  0.759  0.686  0.052  1.0
  Cl  Cl35  1  0.114  0.440  0.828  1.0
  Cl  Cl36  1  0.558  0.312  0.610  1.0
  Cl  Cl37  1  0.461  0.375  0.417  1.0
  Cl  Cl38  1  0.222  0.359  0.523  1.0
  Cl  Cl39  1  0.769  0.472  0.314  1.0
  Cl  Cl40  1  0.051  0.233  0.637  1.0
  Cl  Cl41  1  0.730  0.352  0.728  1.0
  Cl  Cl42  1  0.946  0.307  0.426  1.0
  Cl  Cl43  1  0.769  0.190  0.160  1.0
  Cl  Cl44  1  0.455  0.370  0.066  1.0
  Cl  Cl45  1  0.744  0.979  0.890  1.0
  Cl  Cl46  1  0.954  0.302  0.043  1.0
  Cl  Cl47  1  0.526  0.029  0.498  1.0
  Cl  Cl48  1  0.396  0.022  0.259  1.0
  Cl  Cl49  1  0.260  0.061  0.383  1.0
  Cl  Cl50  1  0.934  0.970  0.293  1.0
  Cl  Cl51  1  0.565  0.037  0.007  1.0
[/CIF]
.