The material structure described by CsLa2Br7 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent Br(1), two equivalent Br(2), two equivalent Br(4), and four equivalent Br(3) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded to one Br(4), two equivalent Br(1), two equivalent Br(2), and two equivalent Br(3) atoms to form a mixture of distorted edge and face-sharing LaBr7 pentagonal bipyramids. In the second La site, La(2) is bonded to one Br(4), two equivalent Br(1), two equivalent Br(2), and two equivalent Br(3) atoms to form a mixture of distorted edge and face-sharing LaBr7 pentagonal bipyramids. There are four inequivalent Br sites. In the first Br site, Br(4) is bonded to two equivalent Cs(1), one La(1), and one La(2) atom to form a mixture of distorted corner and edge-sharing BrCs2La2 trigonal pyramids. In the second Br site, Br(1) is bonded in a distorted L-shaped geometry to one Cs(1), one La(1), and one La(2) atom. In the third Br site, Br(2) is bonded in a distorted trigonal non-coplanar geometry to one Cs(1), one La(1), and one La(2) atom. In the fourth Br site, Br(3) is bonded to two equivalent Cs(1), one La(1), and one La(2) atom to form a mixture of distorted corner and edge-sharing BrCs2La2 tetrahedra. is represented by the CIF card [CIF]
data_CsLa2Br7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.707
_cell_length_b   14.005
_cell_length_c   14.158
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1528.284
_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
  Cs  Cs0  1  0.250  0.805  0.045  1.0
  Cs  Cs1  1  0.750  0.195  0.955  1.0
  Cs  Cs2  1  0.750  0.305  0.455  1.0
  Cs  Cs3  1  0.250  0.695  0.545  1.0
  La  La4  1  0.250  0.460  0.236  1.0
  La  La5  1  0.750  0.540  0.764  1.0
  La  La6  1  0.750  0.960  0.264  1.0
  La  La7  1  0.250  0.040  0.736  1.0
  La  La8  1  0.250  0.157  0.248  1.0
  La  La9  1  0.750  0.843  0.752  1.0
  La  La10  1  0.750  0.657  0.252  1.0
  La  La11  1  0.250  0.343  0.748  1.0
  Br  Br12  1  0.004  0.307  0.172  1.0
  Br  Br13  1  0.996  0.693  0.828  1.0
  Br  Br14  1  0.996  0.807  0.328  1.0
  Br  Br15  1  0.504  0.693  0.828  1.0
  Br  Br16  1  0.004  0.193  0.672  1.0
  Br  Br17  1  0.496  0.307  0.172  1.0
  Br  Br18  1  0.496  0.193  0.672  1.0
  Br  Br19  1  0.504  0.807  0.328  1.0
  Br  Br20  1  0.010  0.579  0.116  1.0
  Br  Br21  1  0.990  0.421  0.884  1.0
  Br  Br22  1  0.990  0.079  0.384  1.0
  Br  Br23  1  0.510  0.421  0.884  1.0
  Br  Br24  1  0.010  0.921  0.616  1.0
  Br  Br25  1  0.490  0.579  0.116  1.0
  Br  Br26  1  0.490  0.921  0.616  1.0
  Br  Br27  1  0.510  0.079  0.384  1.0
  Br  Br28  1  0.009  0.039  0.127  1.0
  Br  Br29  1  0.991  0.961  0.873  1.0
  Br  Br30  1  0.991  0.539  0.373  1.0
  Br  Br31  1  0.509  0.961  0.873  1.0
  Br  Br32  1  0.009  0.461  0.627  1.0
  Br  Br33  1  0.491  0.039  0.127  1.0
  Br  Br34  1  0.491  0.461  0.627  1.0
  Br  Br35  1  0.509  0.539  0.373  1.0
  Br  Br36  1  0.250  0.312  0.397  1.0
  Br  Br37  1  0.750  0.688  0.603  1.0
  Br  Br38  1  0.750  0.812  0.103  1.0
  Br  Br39  1  0.250  0.188  0.897  1.0
[/CIF]
.
The material structure described by CsLa2Br7 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent Br(1), two equivalent Br(2), two equivalent Br(4), and four equivalent Br(3) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded to one Br(4), two equivalent Br(1), two equivalent Br(2), and two equivalent Br(3) atoms to form a mixture of distorted edge and face-sharing LaBr7 pentagonal bipyramids. In the second La site, La(2) is bonded to one Br(4), two equivalent Br(1), two equivalent Br(2), and two equivalent Br(3) atoms to form a mixture of distorted edge and face-sharing LaBr7 pentagonal bipyramids. There are four inequivalent Br sites. In the first Br site, Br(4) is bonded to two equivalent Cs(1), one La(1), and one La(2) atom to form a mixture of distorted corner and edge-sharing BrCs2La2 trigonal pyramids. In the second Br site, Br(1) is bonded in a distorted L-shaped geometry to one Cs(1), one La(1), and one La(2) atom. In the third Br site, Br(2) is bonded in a distorted trigonal non-coplanar geometry to one Cs(1), one La(1), and one La(2) atom. In the fourth Br site, Br(3) is bonded to two equivalent Cs(1), one La(1), and one La(2) atom to form a mixture of distorted corner and edge-sharing BrCs2La2 tetrahedra. is represented by the CIF card [CIF]
data_CsLa2Br7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.707
_cell_length_b   14.005
_cell_length_c   14.158
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1528.284
_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
  Cs  Cs0  1  0.250  0.805  0.045  1.0
  Cs  Cs1  1  0.750  0.195  0.955  1.0
  Cs  Cs2  1  0.750  0.305  0.455  1.0
  Cs  Cs3  1  0.250  0.695  0.545  1.0
  La  La4  1  0.250  0.460  0.236  1.0
  La  La5  1  0.750  0.540  0.764  1.0
  La  La6  1  0.750  0.960  0.264  1.0
  La  La7  1  0.250  0.040  0.736  1.0
  La  La8  1  0.250  0.157  0.248  1.0
  La  La9  1  0.750  0.843  0.752  1.0
  La  La10  1  0.750  0.657  0.252  1.0
  La  La11  1  0.250  0.343  0.748  1.0
  Br  Br12  1  0.004  0.307  0.172  1.0
  Br  Br13  1  0.996  0.693  0.828  1.0
  Br  Br14  1  0.996  0.807  0.328  1.0
  Br  Br15  1  0.504  0.693  0.828  1.0
  Br  Br16  1  0.004  0.193  0.672  1.0
  Br  Br17  1  0.496  0.307  0.172  1.0
  Br  Br18  1  0.496  0.193  0.672  1.0
  Br  Br19  1  0.504  0.807  0.328  1.0
  Br  Br20  1  0.010  0.579  0.116  1.0
  Br  Br21  1  0.990  0.421  0.884  1.0
  Br  Br22  1  0.990  0.079  0.384  1.0
  Br  Br23  1  0.510  0.421  0.884  1.0
  Br  Br24  1  0.010  0.921  0.616  1.0
  Br  Br25  1  0.490  0.579  0.116  1.0
  Br  Br26  1  0.490  0.921  0.616  1.0
  Br  Br27  1  0.510  0.079  0.384  1.0
  Br  Br28  1  0.009  0.039  0.127  1.0
  Br  Br29  1  0.991  0.961  0.873  1.0
  Br  Br30  1  0.991  0.539  0.373  1.0
  Br  Br31  1  0.509  0.961  0.873  1.0
  Br  Br32  1  0.009  0.461  0.627  1.0
  Br  Br33  1  0.491  0.039  0.127  1.0
  Br  Br34  1  0.491  0.461  0.627  1.0
  Br  Br35  1  0.509  0.539  0.373  1.0
  Br  Br36  1  0.250  0.312  0.397  1.0
  Br  Br37  1  0.750  0.688  0.603  1.0
  Br  Br38  1  0.750  0.812  0.103  1.0
  Br  Br39  1  0.250  0.188  0.897  1.0
[/CIF]
.