The compound described by Ba3LaCl9 crystallizes in the monoclinic Pc space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one Cl(1), one Cl(10), one Cl(13), one Cl(14), one Cl(4), one Cl(5), and one Cl(9) atom to form distorted BaCl7 pentagonal bipyramids that share corners with two equivalent La(2)Cl7 pentagonal bipyramids. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one Cl(11), one Cl(12), one Cl(15), one Cl(2), one Cl(3), one Cl(6), one Cl(7), and one Cl(8) atom. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to one Cl(12), one Cl(13), one Cl(17), one Cl(18), one Cl(3), one Cl(8), and one Cl(9) atom. In the fourth Ba site, Ba(4) is bonded in a 8-coordinate geometry to one Cl(1), one Cl(10), one Cl(11), one Cl(14), one Cl(15), one Cl(16), one Cl(2), and one Cl(7) atom. In the fifth Ba site, Ba(5) is bonded in a 8-coordinate geometry to one Cl(11), one Cl(12), one Cl(15), one Cl(16), one Cl(17), one Cl(2), one Cl(3), and one Cl(6) atom. In the sixth Ba site, Ba(6) is bonded in a 7-coordinate geometry to one Cl(1), one Cl(10), one Cl(13), one Cl(14), one Cl(18), one Cl(4), and one Cl(5) atom. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one Cl(1), one Cl(10), one Cl(11), one Cl(16), one Cl(2), one Cl(5), one Cl(6), and one Cl(7) atom. In the second La site, La(2) is bonded to one Cl(12), one Cl(17), one Cl(18), one Cl(3), one Cl(4), one Cl(8), and one Cl(9) atom to form distorted LaCl7 pentagonal bipyramids that share corners with two equivalent Ba(1)Cl7 pentagonal bipyramids. There are eighteen inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Ba(1), one Ba(4), one Ba(6), and one La(1) atom to form a mixture of edge and corner-sharing ClBa3La tetrahedra. In the second Cl site, Cl(2) is bonded to one Ba(2), one Ba(4), one Ba(5), and one La(1) atom to form a mixture of edge and corner-sharing ClBa3La tetrahedra. In the third Cl site, Cl(3) is bonded to one Ba(2), one Ba(3), one Ba(5), and one La(2) atom to form a mixture of edge and corner-sharing ClBa3La tetrahedra. In the fourth Cl site, Cl(4) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(6), and one La(2) atom. In the fifth Cl site, Cl(5) is bonded in a trigonal planar geometry to one Ba(1), one Ba(6), and one La(1) atom. In the sixth Cl site, Cl(6) is bonded in a trigonal non-coplanar geometry to one Ba(2), one Ba(5), and one La(1) atom. In the seventh Cl site, Cl(7) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Ba(4), and one La(1) atom. In the eighth Cl site, Cl(8) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ba(3), and one La(2) atom. In the ninth Cl site, Cl(9) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ba(3), and one La(2) atom. In the tenth Cl site, Cl(10) is bonded to one Ba(1), one Ba(4), one Ba(6), and one La(1) atom to form a mixture of distorted edge and corner-sharing ClBa3La tetrahedra. In the eleventh Cl site, Cl(11) is bonded to one Ba(2), one Ba(4), one Ba(5), and one La(1) atom to form a mixture of distorted edge and corner-sharing ClBa3La tetrahedra. In the twelfth Cl site, Cl(12) is bonded to one Ba(2), one Ba(3), one Ba(5), and one La(2) atom to form a mixture of edge and corner-sharing ClBa3La tetrahedra. In the thirteenth Cl site, Cl(13) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ba(3), and one Ba(6) atom. In the fourteenth Cl site, Cl(14) is bonded in a trigonal planar geometry to one Ba(1), one Ba(4), and one Ba(6) atom. In the fifteenth Cl site, Cl(15) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Ba(4), and one Ba(5) atom. In the sixteenth Cl site, Cl(16) is bonded in a distorted trigonal non-coplanar geometry to one Ba(4), one Ba(5), and one La(1) atom. In the seventeenth Cl site, Cl(17) is bonded in a trigonal planar geometry to one Ba(3), one Ba(5), and one La(2) atom. In the eighteenth Cl site, Cl(18) is bonded in a trigonal non-coplanar geometry to one Ba(3), one Ba(6), and one La(2) atom. is represented by the CIF card [CIF]
data_Ba3LaCl9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.183
_cell_length_b   7.704
_cell_length_c   29.939
_cell_angle_alpha   87.899
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1655.570
_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  0.973  0.684  0.933  1.0
  Ba  Ba1  1  0.005  0.713  0.692  1.0
  Ba  Ba2  1  0.027  0.684  0.433  1.0
  Ba  Ba3  1  0.995  0.713  0.192  1.0
  Ba  Ba4  1  0.990  0.313  0.570  1.0
  Ba  Ba5  1  0.986  0.281  0.808  1.0
  Ba  Ba6  1  0.010  0.313  0.070  1.0
  Ba  Ba7  1  0.014  0.281  0.308  1.0
  Ba  Ba8  1  0.524  0.219  0.692  1.0
  Ba  Ba9  1  0.515  0.182  0.931  1.0
  Ba  Ba10  1  0.476  0.219  0.192  1.0
  Ba  Ba11  1  0.485  0.182  0.431  1.0
  La  La12  1  0.520  0.793  0.807  1.0
  La  La13  1  0.544  0.818  0.567  1.0
  La  La14  1  0.480  0.793  0.307  1.0
  La  La15  1  0.456  0.818  0.067  1.0
  Cl  Cl16  1  0.791  0.976  0.868  1.0
  Cl  Cl17  1  0.810  0.982  0.753  1.0
  Cl  Cl18  1  0.804  0.992  0.627  1.0
  Cl  Cl19  1  0.209  0.976  0.368  1.0
  Cl  Cl20  1  0.190  0.982  0.253  1.0
  Cl  Cl21  1  0.700  0.891  0.994  1.0
  Cl  Cl22  1  0.196  0.992  0.127  1.0
  Cl  Cl23  1  0.336  0.847  0.891  1.0
  Cl  Cl24  1  0.300  0.891  0.494  1.0
  Cl  Cl25  1  0.403  0.841  0.710  1.0
  Cl  Cl26  1  0.664  0.847  0.391  1.0
  Cl  Cl27  1  0.597  0.841  0.210  1.0
  Cl  Cl28  1  0.163  0.647  0.796  1.0
  Cl  Cl29  1  0.215  0.650  0.600  1.0
  Cl  Cl30  1  0.837  0.647  0.296  1.0
  Cl  Cl31  1  0.785  0.650  0.100  1.0
  Cl  Cl32  1  0.744  0.590  0.512  1.0
  Cl  Cl33  1  0.680  0.512  0.866  1.0
  Cl  Cl34  1  0.692  0.517  0.753  1.0
  Cl  Cl35  1  0.699  0.531  0.627  1.0
  Cl  Cl36  1  0.256  0.590  0.012  1.0
  Cl  Cl37  1  0.320  0.512  0.366  1.0
  Cl  Cl38  1  0.308  0.517  0.253  1.0
  Cl  Cl39  1  0.301  0.531  0.127  1.0
  Cl  Cl40  1  0.764  0.401  0.990  1.0
  Cl  Cl41  1  0.236  0.401  0.490  1.0
  Cl  Cl42  1  0.147  0.344  0.901  1.0
  Cl  Cl43  1  0.105  0.322  0.699  1.0
  Cl  Cl44  1  0.853  0.344  0.401  1.0
  Cl  Cl45  1  0.895  0.322  0.199  1.0
  Cl  Cl46  1  0.397  0.144  0.797  1.0
  Cl  Cl47  1  0.357  0.119  0.599  1.0
  Cl  Cl48  1  0.603  0.144  0.297  1.0
  Cl  Cl49  1  0.643  0.119  0.099  1.0
  Cl  Cl50  1  0.753  0.060  0.511  1.0
  Cl  Cl51  1  0.247  0.060  0.011  1.0
[/CIF]
.
The compound described by Ba3LaCl9 crystallizes in the monoclinic Pc space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one Cl(1), one Cl(10), one Cl(13), one Cl(14), one Cl(4), one Cl(5), and one Cl(9) atom to form distorted BaCl7 pentagonal bipyramids that share corners with two equivalent La(2)Cl7 pentagonal bipyramids. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one Cl(11), one Cl(12), one Cl(15), one Cl(2), one Cl(3), one Cl(6), one Cl(7), and one Cl(8) atom. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to one Cl(12), one Cl(13), one Cl(17), one Cl(18), one Cl(3), one Cl(8), and one Cl(9) atom. In the fourth Ba site, Ba(4) is bonded in a 8-coordinate geometry to one Cl(1), one Cl(10), one Cl(11), one Cl(14), one Cl(15), one Cl(16), one Cl(2), and one Cl(7) atom. In the fifth Ba site, Ba(5) is bonded in a 8-coordinate geometry to one Cl(11), one Cl(12), one Cl(15), one Cl(16), one Cl(17), one Cl(2), one Cl(3), and one Cl(6) atom. In the sixth Ba site, Ba(6) is bonded in a 7-coordinate geometry to one Cl(1), one Cl(10), one Cl(13), one Cl(14), one Cl(18), one Cl(4), and one Cl(5) atom. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one Cl(1), one Cl(10), one Cl(11), one Cl(16), one Cl(2), one Cl(5), one Cl(6), and one Cl(7) atom. In the second La site, La(2) is bonded to one Cl(12), one Cl(17), one Cl(18), one Cl(3), one Cl(4), one Cl(8), and one Cl(9) atom to form distorted LaCl7 pentagonal bipyramids that share corners with two equivalent Ba(1)Cl7 pentagonal bipyramids. There are eighteen inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Ba(1), one Ba(4), one Ba(6), and one La(1) atom to form a mixture of edge and corner-sharing ClBa3La tetrahedra. In the second Cl site, Cl(2) is bonded to one Ba(2), one Ba(4), one Ba(5), and one La(1) atom to form a mixture of edge and corner-sharing ClBa3La tetrahedra. In the third Cl site, Cl(3) is bonded to one Ba(2), one Ba(3), one Ba(5), and one La(2) atom to form a mixture of edge and corner-sharing ClBa3La tetrahedra. In the fourth Cl site, Cl(4) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(6), and one La(2) atom. In the fifth Cl site, Cl(5) is bonded in a trigonal planar geometry to one Ba(1), one Ba(6), and one La(1) atom. In the sixth Cl site, Cl(6) is bonded in a trigonal non-coplanar geometry to one Ba(2), one Ba(5), and one La(1) atom. In the seventh Cl site, Cl(7) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Ba(4), and one La(1) atom. In the eighth Cl site, Cl(8) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ba(3), and one La(2) atom. In the ninth Cl site, Cl(9) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ba(3), and one La(2) atom. In the tenth Cl site, Cl(10) is bonded to one Ba(1), one Ba(4), one Ba(6), and one La(1) atom to form a mixture of distorted edge and corner-sharing ClBa3La tetrahedra. In the eleventh Cl site, Cl(11) is bonded to one Ba(2), one Ba(4), one Ba(5), and one La(1) atom to form a mixture of distorted edge and corner-sharing ClBa3La tetrahedra. In the twelfth Cl site, Cl(12) is bonded to one Ba(2), one Ba(3), one Ba(5), and one La(2) atom to form a mixture of edge and corner-sharing ClBa3La tetrahedra. In the thirteenth Cl site, Cl(13) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ba(3), and one Ba(6) atom. In the fourteenth Cl site, Cl(14) is bonded in a trigonal planar geometry to one Ba(1), one Ba(4), and one Ba(6) atom. In the fifteenth Cl site, Cl(15) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Ba(4), and one Ba(5) atom. In the sixteenth Cl site, Cl(16) is bonded in a distorted trigonal non-coplanar geometry to one Ba(4), one Ba(5), and one La(1) atom. In the seventeenth Cl site, Cl(17) is bonded in a trigonal planar geometry to one Ba(3), one Ba(5), and one La(2) atom. In the eighteenth Cl site, Cl(18) is bonded in a trigonal non-coplanar geometry to one Ba(3), one Ba(6), and one La(2) atom. is represented by the CIF card [CIF]
data_Ba3LaCl9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.183
_cell_length_b   7.704
_cell_length_c   29.939
_cell_angle_alpha   87.899
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1655.570
_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  0.973  0.684  0.933  1.0
  Ba  Ba1  1  0.005  0.713  0.692  1.0
  Ba  Ba2  1  0.027  0.684  0.433  1.0
  Ba  Ba3  1  0.995  0.713  0.192  1.0
  Ba  Ba4  1  0.990  0.313  0.570  1.0
  Ba  Ba5  1  0.986  0.281  0.808  1.0
  Ba  Ba6  1  0.010  0.313  0.070  1.0
  Ba  Ba7  1  0.014  0.281  0.308  1.0
  Ba  Ba8  1  0.524  0.219  0.692  1.0
  Ba  Ba9  1  0.515  0.182  0.931  1.0
  Ba  Ba10  1  0.476  0.219  0.192  1.0
  Ba  Ba11  1  0.485  0.182  0.431  1.0
  La  La12  1  0.520  0.793  0.807  1.0
  La  La13  1  0.544  0.818  0.567  1.0
  La  La14  1  0.480  0.793  0.307  1.0
  La  La15  1  0.456  0.818  0.067  1.0
  Cl  Cl16  1  0.791  0.976  0.868  1.0
  Cl  Cl17  1  0.810  0.982  0.753  1.0
  Cl  Cl18  1  0.804  0.992  0.627  1.0
  Cl  Cl19  1  0.209  0.976  0.368  1.0
  Cl  Cl20  1  0.190  0.982  0.253  1.0
  Cl  Cl21  1  0.700  0.891  0.994  1.0
  Cl  Cl22  1  0.196  0.992  0.127  1.0
  Cl  Cl23  1  0.336  0.847  0.891  1.0
  Cl  Cl24  1  0.300  0.891  0.494  1.0
  Cl  Cl25  1  0.403  0.841  0.710  1.0
  Cl  Cl26  1  0.664  0.847  0.391  1.0
  Cl  Cl27  1  0.597  0.841  0.210  1.0
  Cl  Cl28  1  0.163  0.647  0.796  1.0
  Cl  Cl29  1  0.215  0.650  0.600  1.0
  Cl  Cl30  1  0.837  0.647  0.296  1.0
  Cl  Cl31  1  0.785  0.650  0.100  1.0
  Cl  Cl32  1  0.744  0.590  0.512  1.0
  Cl  Cl33  1  0.680  0.512  0.866  1.0
  Cl  Cl34  1  0.692  0.517  0.753  1.0
  Cl  Cl35  1  0.699  0.531  0.627  1.0
  Cl  Cl36  1  0.256  0.590  0.012  1.0
  Cl  Cl37  1  0.320  0.512  0.366  1.0
  Cl  Cl38  1  0.308  0.517  0.253  1.0
  Cl  Cl39  1  0.301  0.531  0.127  1.0
  Cl  Cl40  1  0.764  0.401  0.990  1.0
  Cl  Cl41  1  0.236  0.401  0.490  1.0
  Cl  Cl42  1  0.147  0.344  0.901  1.0
  Cl  Cl43  1  0.105  0.322  0.699  1.0
  Cl  Cl44  1  0.853  0.344  0.401  1.0
  Cl  Cl45  1  0.895  0.322  0.199  1.0
  Cl  Cl46  1  0.397  0.144  0.797  1.0
  Cl  Cl47  1  0.357  0.119  0.599  1.0
  Cl  Cl48  1  0.603  0.144  0.297  1.0
  Cl  Cl49  1  0.643  0.119  0.099  1.0
  Cl  Cl50  1  0.753  0.060  0.511  1.0
  Cl  Cl51  1  0.247  0.060  0.011  1.0
[/CIF]
.