The material described by Rb3Ti is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to four equivalent Rb(1), four equivalent Rb(2), and four equivalent Ti(1) atoms to form distorted RbRb8Ti4 cuboctahedra that share corners with twelve equivalent Rb(1)Rb8Ti4 cuboctahedra, edges with eight equivalent Rb(1)Rb8Ti4 cuboctahedra, edges with eight equivalent Rb(2)Rb8Ti4 cuboctahedra, edges with eight equivalent Ti(1)Rb12 cuboctahedra, faces with four equivalent Rb(2)Rb8Ti4 cuboctahedra, faces with four equivalent Ti(1)Rb12 cuboctahedra, and faces with ten equivalent Rb(1)Rb8Ti4 cuboctahedra. In the second Rb site, Rb(2) is bonded to eight equivalent Rb(1) and four equivalent Ti(1) atoms to form distorted RbRb8Ti4 cuboctahedra that share corners with four equivalent Rb(2)Rb8Ti4 cuboctahedra, corners with eight equivalent Ti(1)Rb12 cuboctahedra, edges with eight equivalent Rb(2)Rb8Ti4 cuboctahedra, edges with sixteen equivalent Rb(1)Rb8Ti4 cuboctahedra, faces with four equivalent Rb(2)Rb8Ti4 cuboctahedra, faces with six equivalent Ti(1)Rb12 cuboctahedra, and faces with eight equivalent Rb(1)Rb8Ti4 cuboctahedra. Ti(1) is bonded to four equivalent Rb(2) and eight equivalent Rb(1) atoms to form distorted TiRb12 cuboctahedra that share corners with four equivalent Ti(1)Rb12 cuboctahedra, corners with eight equivalent Rb(2)Rb8Ti4 cuboctahedra, edges with eight equivalent Ti(1)Rb12 cuboctahedra, edges with sixteen equivalent Rb(1)Rb8Ti4 cuboctahedra, faces with four equivalent Ti(1)Rb12 cuboctahedra, faces with six equivalent Rb(2)Rb8Ti4 cuboctahedra, and faces with eight equivalent Rb(1)Rb8Ti4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb3Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.595
_cell_length_b   7.595
_cell_length_c   7.595
_cell_angle_alpha   130.144
_cell_angle_beta   130.144
_cell_angle_gamma   73.177
_symmetry_Int_Tables_number   1
_cell_volume   250.012
_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  0.750  0.250  0.500  1.0
  Rb  Rb1  1  0.250  0.750  0.500  1.0
  Rb  Rb2  1  0.500  0.500  0.000  1.0
  Ti  Ti3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Rb3Ti is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to four equivalent Rb(1), four equivalent Rb(2), and four equivalent Ti(1) atoms to form distorted RbRb8Ti4 cuboctahedra that share corners with twelve equivalent Rb(1)Rb8Ti4 cuboctahedra, edges with eight equivalent Rb(1)Rb8Ti4 cuboctahedra, edges with eight equivalent Rb(2)Rb8Ti4 cuboctahedra, edges with eight equivalent Ti(1)Rb12 cuboctahedra, faces with four equivalent Rb(2)Rb8Ti4 cuboctahedra, faces with four equivalent Ti(1)Rb12 cuboctahedra, and faces with ten equivalent Rb(1)Rb8Ti4 cuboctahedra. In the second Rb site, Rb(2) is bonded to eight equivalent Rb(1) and four equivalent Ti(1) atoms to form distorted RbRb8Ti4 cuboctahedra that share corners with four equivalent Rb(2)Rb8Ti4 cuboctahedra, corners with eight equivalent Ti(1)Rb12 cuboctahedra, edges with eight equivalent Rb(2)Rb8Ti4 cuboctahedra, edges with sixteen equivalent Rb(1)Rb8Ti4 cuboctahedra, faces with four equivalent Rb(2)Rb8Ti4 cuboctahedra, faces with six equivalent Ti(1)Rb12 cuboctahedra, and faces with eight equivalent Rb(1)Rb8Ti4 cuboctahedra. Ti(1) is bonded to four equivalent Rb(2) and eight equivalent Rb(1) atoms to form distorted TiRb12 cuboctahedra that share corners with four equivalent Ti(1)Rb12 cuboctahedra, corners with eight equivalent Rb(2)Rb8Ti4 cuboctahedra, edges with eight equivalent Ti(1)Rb12 cuboctahedra, edges with sixteen equivalent Rb(1)Rb8Ti4 cuboctahedra, faces with four equivalent Ti(1)Rb12 cuboctahedra, faces with six equivalent Rb(2)Rb8Ti4 cuboctahedra, and faces with eight equivalent Rb(1)Rb8Ti4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb3Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.595
_cell_length_b   7.595
_cell_length_c   7.595
_cell_angle_alpha   130.144
_cell_angle_beta   130.144
_cell_angle_gamma   73.177
_symmetry_Int_Tables_number   1
_cell_volume   250.012
_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  0.750  0.250  0.500  1.0
  Rb  Rb1  1  0.250  0.750  0.500  1.0
  Rb  Rb2  1  0.500  0.500  0.000  1.0
  Ti  Ti3  1  0.000  0.000  0.000  1.0
[/CIF]
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