The material described by CsLa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Cs(1) is bonded to four equivalent La(2) and eight equivalent La(1) atoms to form CsLa12 cuboctahedra that share corners with four equivalent Cs(1)La12 cuboctahedra, corners with eight equivalent La(2)Cs4La8 cuboctahedra, edges with eight equivalent Cs(1)La12 cuboctahedra, edges with sixteen equivalent La(1)Cs4La8 cuboctahedra, faces with four equivalent Cs(1)La12 cuboctahedra, faces with six equivalent La(2)Cs4La8 cuboctahedra, and faces with eight equivalent La(1)Cs4La8 cuboctahedra. There are two inequivalent La sites. In the first La site, La(1) is bonded to four equivalent Cs(1), four equivalent La(1), and four equivalent La(2) atoms to form LaCs4La8 cuboctahedra that share corners with twelve equivalent La(1)Cs4La8 cuboctahedra, edges with eight equivalent Cs(1)La12 cuboctahedra, edges with eight equivalent La(1)Cs4La8 cuboctahedra, edges with eight equivalent La(2)Cs4La8 cuboctahedra, faces with four equivalent Cs(1)La12 cuboctahedra, faces with four equivalent La(2)Cs4La8 cuboctahedra, and faces with ten equivalent La(1)Cs4La8 cuboctahedra. In the second La site, La(2) is bonded to four equivalent Cs(1) and eight equivalent La(1) atoms to form LaCs4La8 cuboctahedra that share corners with four equivalent La(2)Cs4La8 cuboctahedra, corners with eight equivalent Cs(1)La12 cuboctahedra, edges with eight equivalent La(2)Cs4La8 cuboctahedra, edges with sixteen equivalent La(1)Cs4La8 cuboctahedra, faces with four equivalent La(2)Cs4La8 cuboctahedra, faces with six equivalent Cs(1)La12 cuboctahedra, and faces with eight equivalent La(1)Cs4La8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsLa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.732
_cell_length_b   6.732
_cell_length_c   6.732
_cell_angle_alpha   131.937
_cell_angle_beta   131.937
_cell_angle_gamma   70.329
_symmetry_Int_Tables_number   1
_cell_volume   165.457
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  La  La1  1  0.750  0.250  0.500  1.0
  La  La2  1  0.250  0.750  0.500  1.0
  La  La3  1  0.500  0.500  0.000  1.0
[/CIF]
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The material described by CsLa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Cs(1) is bonded to four equivalent La(2) and eight equivalent La(1) atoms to form CsLa12 cuboctahedra that share corners with four equivalent Cs(1)La12 cuboctahedra, corners with eight equivalent La(2)Cs4La8 cuboctahedra, edges with eight equivalent Cs(1)La12 cuboctahedra, edges with sixteen equivalent La(1)Cs4La8 cuboctahedra, faces with four equivalent Cs(1)La12 cuboctahedra, faces with six equivalent La(2)Cs4La8 cuboctahedra, and faces with eight equivalent La(1)Cs4La8 cuboctahedra. There are two inequivalent La sites. In the first La site, La(1) is bonded to four equivalent Cs(1), four equivalent La(1), and four equivalent La(2) atoms to form LaCs4La8 cuboctahedra that share corners with twelve equivalent La(1)Cs4La8 cuboctahedra, edges with eight equivalent Cs(1)La12 cuboctahedra, edges with eight equivalent La(1)Cs4La8 cuboctahedra, edges with eight equivalent La(2)Cs4La8 cuboctahedra, faces with four equivalent Cs(1)La12 cuboctahedra, faces with four equivalent La(2)Cs4La8 cuboctahedra, and faces with ten equivalent La(1)Cs4La8 cuboctahedra. In the second La site, La(2) is bonded to four equivalent Cs(1) and eight equivalent La(1) atoms to form LaCs4La8 cuboctahedra that share corners with four equivalent La(2)Cs4La8 cuboctahedra, corners with eight equivalent Cs(1)La12 cuboctahedra, edges with eight equivalent La(2)Cs4La8 cuboctahedra, edges with sixteen equivalent La(1)Cs4La8 cuboctahedra, faces with four equivalent La(2)Cs4La8 cuboctahedra, faces with six equivalent Cs(1)La12 cuboctahedra, and faces with eight equivalent La(1)Cs4La8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsLa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.732
_cell_length_b   6.732
_cell_length_c   6.732
_cell_angle_alpha   131.937
_cell_angle_beta   131.937
_cell_angle_gamma   70.329
_symmetry_Int_Tables_number   1
_cell_volume   165.457
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  La  La1  1  0.750  0.250  0.500  1.0
  La  La2  1  0.250  0.750  0.500  1.0
  La  La3  1  0.500  0.500  0.000  1.0
[/CIF]
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