data_RbTa2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbTa2B
_chemical_formula_sum   'Rb1 Ta2 B1'
_cell_volume   66.8
_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  Rb1  1  0.22  0.22  0.22  1.0
  Ta  Ta2  1  0.83  0.83  0.83  1.0
  Ta  Ta3  1  0.61  0.61  0.61  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_RbTa2B
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   11.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   RbTa2B
_chemical_formula_sum   'Rb3 Ta6 B3'
_cell_volume   200.4
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.78  1.0
  Ta  Ta1  3  0.0  0.0  0.17  1.0
  Ta  Ta2  3  0.0  0.0  0.39  1.0
  B  B3  3  0.0  0.0  0.0  1.0

Rb Ta Ta B
RbTa2B crystallizes in the trigonal R3m space group. Rb(1) is bonded in a 10-coordinate geometry to three equivalent Ta(1), three equivalent Ta(2), and four equivalent B(1) atoms. All Rb(1)-Ta(1) bond lengths are 2.70 Å. All Rb(1)-Ta(2) bond lengths are 2.70 Å. There is one shorter (2.46 Å) and three longer (2.92 Å) Rb(1)-B(1) bond lengths. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a distorted single-bond geometry to three equivalent Rb(1), one Ta(2), and one B(1) atom. The Ta(1)-Ta(2) bond length is 2.46 Å. The Ta(1)-B(1) bond length is 1.89 Å. In the second Ta site, Ta(2) is bonded in a 7-coordinate geometry to three equivalent Rb(1), one Ta(1), and three equivalent B(1) atoms. All Ta(2)-B(1) bond lengths are 2.70 Å. B(1) is bonded in a 2-coordinate geometry to four equivalent Rb(1), one Ta(1), and three equivalent Ta(2) atoms.