The material structure described by RbBa3 crystallizes in the tetragonal I4/mmm space group. Rb(1) is bonded to four equivalent Ba(2) and eight equivalent Ba(1) atoms to form RbBa12 cuboctahedra that share corners with four equivalent Rb(1)Ba12 cuboctahedra, corners with eight equivalent Ba(2)Rb4Ba8 cuboctahedra, edges with eight equivalent Rb(1)Ba12 cuboctahedra, edges with sixteen equivalent Ba(1)Rb4Ba8 cuboctahedra, faces with four equivalent Rb(1)Ba12 cuboctahedra, faces with six equivalent Ba(2)Rb4Ba8 cuboctahedra, and faces with eight equivalent Ba(1)Rb4Ba8 cuboctahedra. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent Rb(1), four equivalent Ba(1), and four equivalent Ba(2) atoms to form BaRb4Ba8 cuboctahedra that share corners with twelve equivalent Ba(1)Rb4Ba8 cuboctahedra, edges with eight equivalent Rb(1)Ba12 cuboctahedra, edges with eight equivalent Ba(1)Rb4Ba8 cuboctahedra, edges with eight equivalent Ba(2)Rb4Ba8 cuboctahedra, faces with four equivalent Rb(1)Ba12 cuboctahedra, faces with four equivalent Ba(2)Rb4Ba8 cuboctahedra, and faces with ten equivalent Ba(1)Rb4Ba8 cuboctahedra. In the second Ba site, Ba(2) is bonded to four equivalent Rb(1) and eight equivalent Ba(1) atoms to form BaRb4Ba8 cuboctahedra that share corners with four equivalent Ba(2)Rb4Ba8 cuboctahedra, corners with eight equivalent Rb(1)Ba12 cuboctahedra, edges with eight equivalent Ba(2)Rb4Ba8 cuboctahedra, edges with sixteen equivalent Ba(1)Rb4Ba8 cuboctahedra, faces with four equivalent Ba(2)Rb4Ba8 cuboctahedra, faces with six equivalent Rb(1)Ba12 cuboctahedra, and faces with eight equivalent Ba(1)Rb4Ba8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbBa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.167
_cell_length_b   8.167
_cell_length_c   8.167
_cell_angle_alpha   133.828
_cell_angle_beta   133.828
_cell_angle_gamma   67.357
_symmetry_Int_Tables_number   1
_cell_volume   278.820
_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
  Rb  Rb0  1  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.750  0.250  0.500  1.0
  Ba  Ba2  1  0.250  0.750  0.500  1.0
  Ba  Ba3  1  0.500  0.500  0.000  1.0
[/CIF]
.
The material structure described by RbBa3 crystallizes in the tetragonal I4/mmm space group. Rb(1) is bonded to four equivalent Ba(2) and eight equivalent Ba(1) atoms to form RbBa12 cuboctahedra that share corners with four equivalent Rb(1)Ba12 cuboctahedra, corners with eight equivalent Ba(2)Rb4Ba8 cuboctahedra, edges with eight equivalent Rb(1)Ba12 cuboctahedra, edges with sixteen equivalent Ba(1)Rb4Ba8 cuboctahedra, faces with four equivalent Rb(1)Ba12 cuboctahedra, faces with six equivalent Ba(2)Rb4Ba8 cuboctahedra, and faces with eight equivalent Ba(1)Rb4Ba8 cuboctahedra. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent Rb(1), four equivalent Ba(1), and four equivalent Ba(2) atoms to form BaRb4Ba8 cuboctahedra that share corners with twelve equivalent Ba(1)Rb4Ba8 cuboctahedra, edges with eight equivalent Rb(1)Ba12 cuboctahedra, edges with eight equivalent Ba(1)Rb4Ba8 cuboctahedra, edges with eight equivalent Ba(2)Rb4Ba8 cuboctahedra, faces with four equivalent Rb(1)Ba12 cuboctahedra, faces with four equivalent Ba(2)Rb4Ba8 cuboctahedra, and faces with ten equivalent Ba(1)Rb4Ba8 cuboctahedra. In the second Ba site, Ba(2) is bonded to four equivalent Rb(1) and eight equivalent Ba(1) atoms to form BaRb4Ba8 cuboctahedra that share corners with four equivalent Ba(2)Rb4Ba8 cuboctahedra, corners with eight equivalent Rb(1)Ba12 cuboctahedra, edges with eight equivalent Ba(2)Rb4Ba8 cuboctahedra, edges with sixteen equivalent Ba(1)Rb4Ba8 cuboctahedra, faces with four equivalent Ba(2)Rb4Ba8 cuboctahedra, faces with six equivalent Rb(1)Ba12 cuboctahedra, and faces with eight equivalent Ba(1)Rb4Ba8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbBa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.167
_cell_length_b   8.167
_cell_length_c   8.167
_cell_angle_alpha   133.828
_cell_angle_beta   133.828
_cell_angle_gamma   67.357
_symmetry_Int_Tables_number   1
_cell_volume   278.820
_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
  Rb  Rb0  1  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.750  0.250  0.500  1.0
  Ba  Ba2  1  0.250  0.750  0.500  1.0
  Ba  Ba3  1  0.500  0.500  0.000  1.0
[/CIF]
.