The material structure described by BaLaCl5 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 7-coordinate geometry to one Cl(10), one Cl(2), one Cl(3), one Cl(4), one Cl(5), one Cl(6), and one Cl(7) atom. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one Cl(1), one Cl(2), one Cl(4), one Cl(5), one Cl(6), one Cl(8), and one Cl(9) atom. There are two inequivalent La sites. In the first La site, La(1) is bonded to one Cl(1), one Cl(2), one Cl(3), one Cl(4), one Cl(6), one Cl(8), and one Cl(9) atom to form distorted edge-sharing LaCl7 pentagonal bipyramids. In the second La site, La(2) is bonded to one Cl(10), one Cl(2), one Cl(3), one Cl(5), one Cl(7), one Cl(8), and one Cl(9) atom to form distorted edge-sharing LaCl7 pentagonal bipyramids. There are ten inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a bent 120 degrees geometry to one Ba(2) and one La(1) atom. In the second Cl site, Cl(2) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one La(1), and one La(2) atom. In the third Cl site, Cl(3) is bonded in a trigonal planar geometry to one Ba(1), one La(1), and one La(2) atom. In the fourth Cl site, Cl(4) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one La(1) atom. In the fifth Cl site, Cl(5) is bonded in a trigonal planar geometry to one Ba(1), one Ba(2), and one La(2) atom. In the sixth Cl site, Cl(6) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one La(1) atom. In the seventh Cl site, Cl(7) is bonded in a bent 120 degrees geometry to one Ba(1) and one La(2) atom. In the eighth Cl site, Cl(8) is bonded in a trigonal planar geometry to one Ba(2), one La(1), and one La(2) atom. In the ninth Cl site, Cl(9) is bonded in a trigonal non-coplanar geometry to one Ba(2), one La(1), and one La(2) atom. In the tenth Cl site, Cl(10) is bonded in a bent 120 degrees geometry to one Ba(1) and one La(2) atom. is represented by the CIF card [CIF]
data_BaLaCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.467
_cell_length_b   7.133
_cell_length_c   9.978
_cell_angle_alpha   87.122
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   886.219
_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  0.027  0.034  0.824  1.0
  Ba  Ba1  1  0.363  0.449  0.625  1.0
  Ba  Ba2  1  0.863  0.551  0.375  1.0
  Ba  Ba3  1  0.527  0.966  0.176  1.0
  La  La4  1  0.621  0.986  0.613  1.0
  La  La5  1  0.214  0.525  0.106  1.0
  La  La6  1  0.714  0.475  0.894  1.0
  La  La7  1  0.121  0.014  0.387  1.0
  Cl  Cl8  1  0.771  0.955  0.411  1.0
  Cl  Cl9  1  0.529  0.189  0.828  1.0
  Cl  Cl10  1  0.290  0.148  0.215  1.0
  Cl  Cl11  1  0.515  0.230  0.431  1.0
  Cl  Cl12  1  0.222  0.311  0.878  1.0
  Cl  Cl13  1  0.020  0.268  0.552  1.0
  Cl  Cl14  1  0.724  0.203  0.095  1.0
  Cl  Cl15  1  0.739  0.352  0.625  1.0
  Cl  Cl16  1  0.032  0.315  0.214  1.0
  Cl  Cl17  1  0.933  0.429  0.888  1.0
  Cl  Cl18  1  0.433  0.571  0.112  1.0
  Cl  Cl19  1  0.532  0.685  0.786  1.0
  Cl  Cl20  1  0.239  0.648  0.375  1.0
  Cl  Cl21  1  0.224  0.797  0.905  1.0
  Cl  Cl22  1  0.520  0.732  0.448  1.0
  Cl  Cl23  1  0.722  0.689  0.122  1.0
  Cl  Cl24  1  0.015  0.770  0.569  1.0
  Cl  Cl25  1  0.790  0.852  0.785  1.0
  Cl  Cl26  1  0.029  0.811  0.172  1.0
  Cl  Cl27  1  0.271  0.045  0.589  1.0
[/CIF]
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The material structure described by BaLaCl5 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 7-coordinate geometry to one Cl(10), one Cl(2), one Cl(3), one Cl(4), one Cl(5), one Cl(6), and one Cl(7) atom. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one Cl(1), one Cl(2), one Cl(4), one Cl(5), one Cl(6), one Cl(8), and one Cl(9) atom. There are two inequivalent La sites. In the first La site, La(1) is bonded to one Cl(1), one Cl(2), one Cl(3), one Cl(4), one Cl(6), one Cl(8), and one Cl(9) atom to form distorted edge-sharing LaCl7 pentagonal bipyramids. In the second La site, La(2) is bonded to one Cl(10), one Cl(2), one Cl(3), one Cl(5), one Cl(7), one Cl(8), and one Cl(9) atom to form distorted edge-sharing LaCl7 pentagonal bipyramids. There are ten inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a bent 120 degrees geometry to one Ba(2) and one La(1) atom. In the second Cl site, Cl(2) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one La(1), and one La(2) atom. In the third Cl site, Cl(3) is bonded in a trigonal planar geometry to one Ba(1), one La(1), and one La(2) atom. In the fourth Cl site, Cl(4) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one La(1) atom. In the fifth Cl site, Cl(5) is bonded in a trigonal planar geometry to one Ba(1), one Ba(2), and one La(2) atom. In the sixth Cl site, Cl(6) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one La(1) atom. In the seventh Cl site, Cl(7) is bonded in a bent 120 degrees geometry to one Ba(1) and one La(2) atom. In the eighth Cl site, Cl(8) is bonded in a trigonal planar geometry to one Ba(2), one La(1), and one La(2) atom. In the ninth Cl site, Cl(9) is bonded in a trigonal non-coplanar geometry to one Ba(2), one La(1), and one La(2) atom. In the tenth Cl site, Cl(10) is bonded in a bent 120 degrees geometry to one Ba(1) and one La(2) atom. is represented by the CIF card [CIF]
data_BaLaCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.467
_cell_length_b   7.133
_cell_length_c   9.978
_cell_angle_alpha   87.122
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   886.219
_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  0.027  0.034  0.824  1.0
  Ba  Ba1  1  0.363  0.449  0.625  1.0
  Ba  Ba2  1  0.863  0.551  0.375  1.0
  Ba  Ba3  1  0.527  0.966  0.176  1.0
  La  La4  1  0.621  0.986  0.613  1.0
  La  La5  1  0.214  0.525  0.106  1.0
  La  La6  1  0.714  0.475  0.894  1.0
  La  La7  1  0.121  0.014  0.387  1.0
  Cl  Cl8  1  0.771  0.955  0.411  1.0
  Cl  Cl9  1  0.529  0.189  0.828  1.0
  Cl  Cl10  1  0.290  0.148  0.215  1.0
  Cl  Cl11  1  0.515  0.230  0.431  1.0
  Cl  Cl12  1  0.222  0.311  0.878  1.0
  Cl  Cl13  1  0.020  0.268  0.552  1.0
  Cl  Cl14  1  0.724  0.203  0.095  1.0
  Cl  Cl15  1  0.739  0.352  0.625  1.0
  Cl  Cl16  1  0.032  0.315  0.214  1.0
  Cl  Cl17  1  0.933  0.429  0.888  1.0
  Cl  Cl18  1  0.433  0.571  0.112  1.0
  Cl  Cl19  1  0.532  0.685  0.786  1.0
  Cl  Cl20  1  0.239  0.648  0.375  1.0
  Cl  Cl21  1  0.224  0.797  0.905  1.0
  Cl  Cl22  1  0.520  0.732  0.448  1.0
  Cl  Cl23  1  0.722  0.689  0.122  1.0
  Cl  Cl24  1  0.015  0.770  0.569  1.0
  Cl  Cl25  1  0.790  0.852  0.785  1.0
  Cl  Cl26  1  0.029  0.811  0.172  1.0
  Cl  Cl27  1  0.271  0.045  0.589  1.0
[/CIF]
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