The structure described by Ba2YCl7 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 10-coordinate geometry to one Cl(1), one Cl(11), one Cl(12), one Cl(14), one Cl(2), one Cl(3), one Cl(5), one Cl(9), and two equivalent Cl(8) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one Cl(10), one Cl(11), one Cl(13), one Cl(3), one Cl(4), one Cl(5), one Cl(6), one Cl(7), and one Cl(9) atom. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one Cl(1), one Cl(10), one Cl(12), one Cl(14), one Cl(2), one Cl(4), one Cl(6), one Cl(8), and one Cl(9) atom. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to one Cl(1), one Cl(10), one Cl(11), one Cl(12), one Cl(13), one Cl(14), one Cl(2), one Cl(5), and two equivalent Cl(7) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in an octahedral geometry to one Cl(11), one Cl(13), one Cl(3), one Cl(5), one Cl(6), and one Cl(7) atom. In the second Y site, Y(2) is bonded in an octahedral geometry to one Cl(1), one Cl(12), one Cl(14), one Cl(2), one Cl(4), and one Cl(8) atom. There are fourteen inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Ba(1), one Ba(3), one Ba(4), and one Y(2) atom to form distorted edge-sharing ClBa3Y trigonal pyramids. In the second Cl site, Cl(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 Cl site, Cl(3) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the fourth Cl site, Cl(4) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ba(3), and one Y(2) atom. In the fifth Cl site, Cl(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 Cl site, Cl(6) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ba(3), and one Y(1) atom. In the seventh Cl site, Cl(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 Cl site, Cl(8) is bonded in a 1-coordinate geometry to one Ba(3), two equivalent Ba(1), and one Y(2) atom. In the ninth Cl site, Cl(9) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), and one Ba(3) atom. In the tenth Cl site, Cl(10) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ba(3), and one Ba(4) atom. In the eleventh Cl site, Cl(11) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), and one Y(1) atom. In the twelfth Cl site, Cl(12) is bonded to one Ba(1), one Ba(3), one Ba(4), and one Y(2) atom to form distorted edge-sharing ClBa3Y tetrahedra. In the thirteenth Cl site, Cl(13) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(4), and one Y(1) atom. In the fourteenth Cl site, Cl(14) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), and one Y(2) atom. is represented by the CIF card [CIF]
data_Ba2YCl7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.880
_cell_length_b   7.172
_cell_length_c   12.486
_cell_angle_alpha   84.808
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1237.802
_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  0.542  0.762  0.739  1.0
  Ba  Ba1  1  0.139  0.731  0.621  1.0
  Ba  Ba2  1  0.782  0.744  0.122  1.0
  Ba  Ba3  1  0.373  0.707  0.227  1.0
  Ba  Ba4  1  0.873  0.293  0.773  1.0
  Ba  Ba5  1  0.282  0.256  0.878  1.0
  Ba  Ba6  1  0.639  0.269  0.379  1.0
  Ba  Ba7  1  0.042  0.238  0.261  1.0
  Y  Y8  1  0.845  0.810  0.545  1.0
  Y  Y9  1  0.076  0.792  0.041  1.0
  Y  Y10  1  0.576  0.208  0.959  1.0
  Y  Y11  1  0.345  0.190  0.455  1.0
  Cl  Cl12  1  0.703  0.965  0.890  1.0
  Cl  Cl13  1  0.439  0.946  0.982  1.0
  Cl  Cl14  1  0.495  0.962  0.501  1.0
  Cl  Cl15  1  0.150  0.886  0.853  1.0
  Cl  Cl16  1  0.234  0.915  0.393  1.0
  Cl  Cl17  1  0.772  0.895  0.354  1.0
  Cl  Cl18  1  0.914  0.792  0.743  1.0
  Cl  Cl19  1  0.011  0.769  0.242  1.0
  Cl  Cl20  1  0.335  0.615  0.729  1.0
  Cl  Cl21  1  0.588  0.621  0.226  1.0
  Cl  Cl22  1  0.705  0.567  0.604  1.0
  Cl  Cl23  1  0.704  0.480  0.906  1.0
  Cl  Cl24  1  0.955  0.518  0.528  1.0
  Cl  Cl25  1  0.451  0.469  0.991  1.0
  Cl  Cl26  1  0.951  0.531  0.009  1.0
  Cl  Cl27  1  0.455  0.482  0.472  1.0
  Cl  Cl28  1  0.204  0.520  0.094  1.0
  Cl  Cl29  1  0.205  0.433  0.396  1.0
  Cl  Cl30  1  0.088  0.379  0.774  1.0
  Cl  Cl31  1  0.835  0.385  0.271  1.0
  Cl  Cl32  1  0.511  0.231  0.758  1.0
  Cl  Cl33  1  0.414  0.208  0.257  1.0
  Cl  Cl34  1  0.272  0.105  0.646  1.0
  Cl  Cl35  1  0.734  0.085  0.607  1.0
  Cl  Cl36  1  0.650  0.114  0.147  1.0
  Cl  Cl37  1  0.995  0.038  0.499  1.0
  Cl  Cl38  1  0.939  0.054  0.018  1.0
  Cl  Cl39  1  0.203  0.035  0.110  1.0
[/CIF]
.
The structure described by Ba2YCl7 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 10-coordinate geometry to one Cl(1), one Cl(11), one Cl(12), one Cl(14), one Cl(2), one Cl(3), one Cl(5), one Cl(9), and two equivalent Cl(8) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one Cl(10), one Cl(11), one Cl(13), one Cl(3), one Cl(4), one Cl(5), one Cl(6), one Cl(7), and one Cl(9) atom. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one Cl(1), one Cl(10), one Cl(12), one Cl(14), one Cl(2), one Cl(4), one Cl(6), one Cl(8), and one Cl(9) atom. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to one Cl(1), one Cl(10), one Cl(11), one Cl(12), one Cl(13), one Cl(14), one Cl(2), one Cl(5), and two equivalent Cl(7) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in an octahedral geometry to one Cl(11), one Cl(13), one Cl(3), one Cl(5), one Cl(6), and one Cl(7) atom. In the second Y site, Y(2) is bonded in an octahedral geometry to one Cl(1), one Cl(12), one Cl(14), one Cl(2), one Cl(4), and one Cl(8) atom. There are fourteen inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Ba(1), one Ba(3), one Ba(4), and one Y(2) atom to form distorted edge-sharing ClBa3Y trigonal pyramids. In the second Cl site, Cl(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 Cl site, Cl(3) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the fourth Cl site, Cl(4) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ba(3), and one Y(2) atom. In the fifth Cl site, Cl(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 Cl site, Cl(6) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ba(3), and one Y(1) atom. In the seventh Cl site, Cl(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 Cl site, Cl(8) is bonded in a 1-coordinate geometry to one Ba(3), two equivalent Ba(1), and one Y(2) atom. In the ninth Cl site, Cl(9) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), and one Ba(3) atom. In the tenth Cl site, Cl(10) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ba(3), and one Ba(4) atom. In the eleventh Cl site, Cl(11) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), and one Y(1) atom. In the twelfth Cl site, Cl(12) is bonded to one Ba(1), one Ba(3), one Ba(4), and one Y(2) atom to form distorted edge-sharing ClBa3Y tetrahedra. In the thirteenth Cl site, Cl(13) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(4), and one Y(1) atom. In the fourteenth Cl site, Cl(14) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), and one Y(2) atom. is represented by the CIF card [CIF]
data_Ba2YCl7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.880
_cell_length_b   7.172
_cell_length_c   12.486
_cell_angle_alpha   84.808
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1237.802
_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  0.542  0.762  0.739  1.0
  Ba  Ba1  1  0.139  0.731  0.621  1.0
  Ba  Ba2  1  0.782  0.744  0.122  1.0
  Ba  Ba3  1  0.373  0.707  0.227  1.0
  Ba  Ba4  1  0.873  0.293  0.773  1.0
  Ba  Ba5  1  0.282  0.256  0.878  1.0
  Ba  Ba6  1  0.639  0.269  0.379  1.0
  Ba  Ba7  1  0.042  0.238  0.261  1.0
  Y  Y8  1  0.845  0.810  0.545  1.0
  Y  Y9  1  0.076  0.792  0.041  1.0
  Y  Y10  1  0.576  0.208  0.959  1.0
  Y  Y11  1  0.345  0.190  0.455  1.0
  Cl  Cl12  1  0.703  0.965  0.890  1.0
  Cl  Cl13  1  0.439  0.946  0.982  1.0
  Cl  Cl14  1  0.495  0.962  0.501  1.0
  Cl  Cl15  1  0.150  0.886  0.853  1.0
  Cl  Cl16  1  0.234  0.915  0.393  1.0
  Cl  Cl17  1  0.772  0.895  0.354  1.0
  Cl  Cl18  1  0.914  0.792  0.743  1.0
  Cl  Cl19  1  0.011  0.769  0.242  1.0
  Cl  Cl20  1  0.335  0.615  0.729  1.0
  Cl  Cl21  1  0.588  0.621  0.226  1.0
  Cl  Cl22  1  0.705  0.567  0.604  1.0
  Cl  Cl23  1  0.704  0.480  0.906  1.0
  Cl  Cl24  1  0.955  0.518  0.528  1.0
  Cl  Cl25  1  0.451  0.469  0.991  1.0
  Cl  Cl26  1  0.951  0.531  0.009  1.0
  Cl  Cl27  1  0.455  0.482  0.472  1.0
  Cl  Cl28  1  0.204  0.520  0.094  1.0
  Cl  Cl29  1  0.205  0.433  0.396  1.0
  Cl  Cl30  1  0.088  0.379  0.774  1.0
  Cl  Cl31  1  0.835  0.385  0.271  1.0
  Cl  Cl32  1  0.511  0.231  0.758  1.0
  Cl  Cl33  1  0.414  0.208  0.257  1.0
  Cl  Cl34  1  0.272  0.105  0.646  1.0
  Cl  Cl35  1  0.734  0.085  0.607  1.0
  Cl  Cl36  1  0.650  0.114  0.147  1.0
  Cl  Cl37  1  0.995  0.038  0.499  1.0
  Cl  Cl38  1  0.939  0.054  0.018  1.0
  Cl  Cl39  1  0.203  0.035  0.110  1.0
[/CIF]
.