The crystal structure described by Ba3La2Cl12 crystallizes in the tetragonal P4/mbm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a body-centered cubic geometry to eight equivalent Cl(2) atoms. In the second Ba site, Ba(2) is bonded to two equivalent Cl(1), two equivalent Cl(3), and eight equivalent Cl(2) atoms to form BaCl12 cuboctahedra that share corners with two equivalent Ba(2)Cl12 cuboctahedra, edges with five equivalent Ba(2)Cl12 cuboctahedra, edges with four equivalent La(1)Cl7 pentagonal bipyramids, and faces with two equivalent La(1)Cl7 pentagonal bipyramids. La(1) is bonded to one Cl(3), two equivalent Cl(1), and four equivalent Cl(2) atoms to form distorted LaCl7 pentagonal bipyramids that share edges with four equivalent Ba(2)Cl12 cuboctahedra,  an edgeedge with one La(1)Cl7 pentagonal bipyramid, and faces with two equivalent Ba(2)Cl12 cuboctahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to two equivalent Ba(2) and two equivalent La(1) atoms to form ClBa2La2 tetrahedra that share corners with sixteen equivalent Cl(2)Ba3La tetrahedra, edges with two equivalent Cl(1)Ba2La2 tetrahedra, and edges with four equivalent Cl(2)Ba3La tetrahedra. In the second Cl site, Cl(2) is bonded to one Ba(1), two equivalent Ba(2), and one La(1) atom to form distorted ClBa3La tetrahedra that share corners with four equivalent Cl(1)Ba2La2 tetrahedra, corners with fourteen equivalent Cl(2)Ba3La tetrahedra,  an edgeedge with one Cl(1)Ba2La2 tetrahedra, and edges with five equivalent Cl(2)Ba3La tetrahedra. In the third Cl site, Cl(3) is bonded in a distorted T-shaped geometry to two equivalent Ba(2) and one La(1) atom. is represented by the CIF card [CIF]
data_Ba3La2Cl12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.760
_cell_length_b   11.760
_cell_length_c   7.165
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   990.818
_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  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.682  0.182  0.500  1.0
  Ba  Ba2  1  0.182  0.318  0.500  1.0
  Ba  Ba3  1  0.500  0.500  0.000  1.0
  Ba  Ba4  1  0.818  0.682  0.500  1.0
  Ba  Ba5  1  0.318  0.818  0.500  1.0
  La  La6  1  0.364  0.136  0.000  1.0
  La  La7  1  0.864  0.364  0.000  1.0
  La  La8  1  0.136  0.636  0.000  1.0
  La  La9  1  0.636  0.864  0.000  1.0
  Cl  Cl10  1  0.500  0.000  0.256  1.0
  Cl  Cl11  1  0.500  0.000  0.744  1.0
  Cl  Cl12  1  0.208  0.062  0.270  1.0
  Cl  Cl13  1  0.208  0.062  0.730  1.0
  Cl  Cl14  1  0.689  0.189  0.000  1.0
  Cl  Cl15  1  0.938  0.208  0.270  1.0
  Cl  Cl16  1  0.938  0.208  0.730  1.0
  Cl  Cl17  1  0.438  0.292  0.270  1.0
  Cl  Cl18  1  0.438  0.292  0.730  1.0
  Cl  Cl19  1  0.189  0.311  0.000  1.0
  Cl  Cl20  1  0.708  0.438  0.270  1.0
  Cl  Cl21  1  0.708  0.438  0.730  1.0
  Cl  Cl22  1  0.000  0.500  0.744  1.0
  Cl  Cl23  1  0.000  0.500  0.256  1.0
  Cl  Cl24  1  0.292  0.562  0.270  1.0
  Cl  Cl25  1  0.292  0.562  0.730  1.0
  Cl  Cl26  1  0.811  0.689  0.000  1.0
  Cl  Cl27  1  0.562  0.708  0.270  1.0
  Cl  Cl28  1  0.562  0.708  0.730  1.0
  Cl  Cl29  1  0.062  0.792  0.270  1.0
  Cl  Cl30  1  0.062  0.792  0.730  1.0
  Cl  Cl31  1  0.311  0.811  0.000  1.0
  Cl  Cl32  1  0.792  0.938  0.270  1.0
  Cl  Cl33  1  0.792  0.938  0.730  1.0
[/CIF]
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The crystal structure described by Ba3La2Cl12 crystallizes in the tetragonal P4/mbm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a body-centered cubic geometry to eight equivalent Cl(2) atoms. In the second Ba site, Ba(2) is bonded to two equivalent Cl(1), two equivalent Cl(3), and eight equivalent Cl(2) atoms to form BaCl12 cuboctahedra that share corners with two equivalent Ba(2)Cl12 cuboctahedra, edges with five equivalent Ba(2)Cl12 cuboctahedra, edges with four equivalent La(1)Cl7 pentagonal bipyramids, and faces with two equivalent La(1)Cl7 pentagonal bipyramids. La(1) is bonded to one Cl(3), two equivalent Cl(1), and four equivalent Cl(2) atoms to form distorted LaCl7 pentagonal bipyramids that share edges with four equivalent Ba(2)Cl12 cuboctahedra,  an edgeedge with one La(1)Cl7 pentagonal bipyramid, and faces with two equivalent Ba(2)Cl12 cuboctahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to two equivalent Ba(2) and two equivalent La(1) atoms to form ClBa2La2 tetrahedra that share corners with sixteen equivalent Cl(2)Ba3La tetrahedra, edges with two equivalent Cl(1)Ba2La2 tetrahedra, and edges with four equivalent Cl(2)Ba3La tetrahedra. In the second Cl site, Cl(2) is bonded to one Ba(1), two equivalent Ba(2), and one La(1) atom to form distorted ClBa3La tetrahedra that share corners with four equivalent Cl(1)Ba2La2 tetrahedra, corners with fourteen equivalent Cl(2)Ba3La tetrahedra,  an edgeedge with one Cl(1)Ba2La2 tetrahedra, and edges with five equivalent Cl(2)Ba3La tetrahedra. In the third Cl site, Cl(3) is bonded in a distorted T-shaped geometry to two equivalent Ba(2) and one La(1) atom. is represented by the CIF card [CIF]
data_Ba3La2Cl12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.760
_cell_length_b   11.760
_cell_length_c   7.165
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   990.818
_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  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.682  0.182  0.500  1.0
  Ba  Ba2  1  0.182  0.318  0.500  1.0
  Ba  Ba3  1  0.500  0.500  0.000  1.0
  Ba  Ba4  1  0.818  0.682  0.500  1.0
  Ba  Ba5  1  0.318  0.818  0.500  1.0
  La  La6  1  0.364  0.136  0.000  1.0
  La  La7  1  0.864  0.364  0.000  1.0
  La  La8  1  0.136  0.636  0.000  1.0
  La  La9  1  0.636  0.864  0.000  1.0
  Cl  Cl10  1  0.500  0.000  0.256  1.0
  Cl  Cl11  1  0.500  0.000  0.744  1.0
  Cl  Cl12  1  0.208  0.062  0.270  1.0
  Cl  Cl13  1  0.208  0.062  0.730  1.0
  Cl  Cl14  1  0.689  0.189  0.000  1.0
  Cl  Cl15  1  0.938  0.208  0.270  1.0
  Cl  Cl16  1  0.938  0.208  0.730  1.0
  Cl  Cl17  1  0.438  0.292  0.270  1.0
  Cl  Cl18  1  0.438  0.292  0.730  1.0
  Cl  Cl19  1  0.189  0.311  0.000  1.0
  Cl  Cl20  1  0.708  0.438  0.270  1.0
  Cl  Cl21  1  0.708  0.438  0.730  1.0
  Cl  Cl22  1  0.000  0.500  0.744  1.0
  Cl  Cl23  1  0.000  0.500  0.256  1.0
  Cl  Cl24  1  0.292  0.562  0.270  1.0
  Cl  Cl25  1  0.292  0.562  0.730  1.0
  Cl  Cl26  1  0.811  0.689  0.000  1.0
  Cl  Cl27  1  0.562  0.708  0.270  1.0
  Cl  Cl28  1  0.562  0.708  0.730  1.0
  Cl  Cl29  1  0.062  0.792  0.270  1.0
  Cl  Cl30  1  0.062  0.792  0.730  1.0
  Cl  Cl31  1  0.311  0.811  0.000  1.0
  Cl  Cl32  1  0.792  0.938  0.270  1.0
  Cl  Cl33  1  0.792  0.938  0.730  1.0
[/CIF]
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