The material described by Ba2LaCl7 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 9-coordinate geometry to one Cl(4), two equivalent Cl(3), three equivalent Cl(1), and three equivalent Cl(2) atoms. La(1) is bonded in a 9-coordinate geometry to one Cl(4), two equivalent Cl(1), two equivalent Cl(2), and four equivalent Cl(3) atoms. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to three equivalent Ba(1) and one La(1) atom to form ClBa3La tetrahedra that share corners with four equivalent Cl(3)Ba2La2 tetrahedra, corners with five equivalent Cl(1)Ba3La tetrahedra, corners with five equivalent Cl(2)Ba3La tetrahedra,  an edgeedge with one Cl(1)Ba3La tetrahedra, edges with three equivalent Cl(3)Ba2La2 tetrahedra, and edges with three equivalent Cl(2)Ba3La tetrahedra. In the second Cl site, Cl(2) is bonded to three equivalent Ba(1) and one La(1) atom to form distorted ClBa3La tetrahedra that share corners with four equivalent Cl(3)Ba2La2 tetrahedra, corners with five equivalent Cl(1)Ba3La tetrahedra, corners with five equivalent Cl(2)Ba3La tetrahedra,  an edgeedge with one Cl(2)Ba3La tetrahedra, edges with three equivalent Cl(3)Ba2La2 tetrahedra, and edges with three equivalent Cl(1)Ba3La tetrahedra. In the third Cl site, Cl(3) is bonded to two equivalent Ba(1) and two equivalent La(1) atoms to form ClBa2La2 tetrahedra that share corners with four equivalent Cl(1)Ba3La tetrahedra, corners with four equivalent Cl(2)Ba3La tetrahedra, corners with six equivalent Cl(3)Ba2La2 tetrahedra,  an edgeedge with one Cl(3)Ba2La2 tetrahedra, edges with three equivalent Cl(1)Ba3La tetrahedra, and edges with three equivalent Cl(2)Ba3La tetrahedra. In the fourth Cl site, Cl(4) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one La(1) atom. is represented by the CIF file [CIF]
data_Ba2LaCl7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.216
_cell_length_b   9.216
_cell_length_c   10.164
_cell_angle_alpha   60.180
_cell_angle_beta   60.180
_cell_angle_gamma   52.600
_symmetry_Int_Tables_number   1
_cell_volume   570.662
_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  0.307  0.314  0.786  1.0
  Ba  Ba1  1  0.686  0.693  0.714  1.0
  Ba  Ba2  1  0.314  0.307  0.286  1.0
  Ba  Ba3  1  0.693  0.686  0.214  1.0
  La  La4  1  0.988  0.012  0.750  1.0
  La  La5  1  0.012  0.988  0.250  1.0
  Cl  Cl6  1  0.686  0.923  0.859  1.0
  Cl  Cl7  1  0.883  0.381  0.031  1.0
  Cl  Cl8  1  0.619  0.117  0.469  1.0
  Cl  Cl9  1  0.923  0.686  0.359  1.0
  Cl  Cl10  1  0.068  0.758  0.581  1.0
  Cl  Cl11  1  0.376  0.624  0.250  1.0
  Cl  Cl12  1  0.758  0.068  0.081  1.0
  Cl  Cl13  1  0.242  0.932  0.919  1.0
  Cl  Cl14  1  0.624  0.376  0.750  1.0
  Cl  Cl15  1  0.932  0.242  0.419  1.0
  Cl  Cl16  1  0.077  0.314  0.641  1.0
  Cl  Cl17  1  0.381  0.883  0.531  1.0
  Cl  Cl18  1  0.117  0.619  0.969  1.0
  Cl  Cl19  1  0.314  0.077  0.141  1.0
[/CIF]
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The material described by Ba2LaCl7 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 9-coordinate geometry to one Cl(4), two equivalent Cl(3), three equivalent Cl(1), and three equivalent Cl(2) atoms. La(1) is bonded in a 9-coordinate geometry to one Cl(4), two equivalent Cl(1), two equivalent Cl(2), and four equivalent Cl(3) atoms. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to three equivalent Ba(1) and one La(1) atom to form ClBa3La tetrahedra that share corners with four equivalent Cl(3)Ba2La2 tetrahedra, corners with five equivalent Cl(1)Ba3La tetrahedra, corners with five equivalent Cl(2)Ba3La tetrahedra,  an edgeedge with one Cl(1)Ba3La tetrahedra, edges with three equivalent Cl(3)Ba2La2 tetrahedra, and edges with three equivalent Cl(2)Ba3La tetrahedra. In the second Cl site, Cl(2) is bonded to three equivalent Ba(1) and one La(1) atom to form distorted ClBa3La tetrahedra that share corners with four equivalent Cl(3)Ba2La2 tetrahedra, corners with five equivalent Cl(1)Ba3La tetrahedra, corners with five equivalent Cl(2)Ba3La tetrahedra,  an edgeedge with one Cl(2)Ba3La tetrahedra, edges with three equivalent Cl(3)Ba2La2 tetrahedra, and edges with three equivalent Cl(1)Ba3La tetrahedra. In the third Cl site, Cl(3) is bonded to two equivalent Ba(1) and two equivalent La(1) atoms to form ClBa2La2 tetrahedra that share corners with four equivalent Cl(1)Ba3La tetrahedra, corners with four equivalent Cl(2)Ba3La tetrahedra, corners with six equivalent Cl(3)Ba2La2 tetrahedra,  an edgeedge with one Cl(3)Ba2La2 tetrahedra, edges with three equivalent Cl(1)Ba3La tetrahedra, and edges with three equivalent Cl(2)Ba3La tetrahedra. In the fourth Cl site, Cl(4) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one La(1) atom. is represented by the CIF file [CIF]
data_Ba2LaCl7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.216
_cell_length_b   9.216
_cell_length_c   10.164
_cell_angle_alpha   60.180
_cell_angle_beta   60.180
_cell_angle_gamma   52.600
_symmetry_Int_Tables_number   1
_cell_volume   570.662
_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  0.307  0.314  0.786  1.0
  Ba  Ba1  1  0.686  0.693  0.714  1.0
  Ba  Ba2  1  0.314  0.307  0.286  1.0
  Ba  Ba3  1  0.693  0.686  0.214  1.0
  La  La4  1  0.988  0.012  0.750  1.0
  La  La5  1  0.012  0.988  0.250  1.0
  Cl  Cl6  1  0.686  0.923  0.859  1.0
  Cl  Cl7  1  0.883  0.381  0.031  1.0
  Cl  Cl8  1  0.619  0.117  0.469  1.0
  Cl  Cl9  1  0.923  0.686  0.359  1.0
  Cl  Cl10  1  0.068  0.758  0.581  1.0
  Cl  Cl11  1  0.376  0.624  0.250  1.0
  Cl  Cl12  1  0.758  0.068  0.081  1.0
  Cl  Cl13  1  0.242  0.932  0.919  1.0
  Cl  Cl14  1  0.624  0.376  0.750  1.0
  Cl  Cl15  1  0.932  0.242  0.419  1.0
  Cl  Cl16  1  0.077  0.314  0.641  1.0
  Cl  Cl17  1  0.381  0.883  0.531  1.0
  Cl  Cl18  1  0.117  0.619  0.969  1.0
  Cl  Cl19  1  0.314  0.077  0.141  1.0
[/CIF]
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