The structure described by RbTaO3 crystallizes in the triclinic P-1 space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 2-coordinate geometry to two equivalent Rb(3) and two equivalent O(4) atoms. In the second Rb site, Rb(2) is bonded in a 2-coordinate geometry to one O(2) and one O(5) atom. In the third Rb site, Rb(3) is bonded to two equivalent Rb(1), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form distorted corner-sharing RbRb2O6 hexagonal bipyramids. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 1-coordinate geometry to one O(1), one O(2), one O(3), and one O(5) atom. In the second Ta site, Ta(2) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(4), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ta(1), one Ta(2), and one O(6) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Rb(2), one Ta(1), and one Ta(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Rb(3) and one Ta(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(3), and one Ta(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Rb(2) and one Ta(1) atom. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to one Rb(3), one Ta(2), and one O(1) atom. is represented by the CIF file [CIF]
data_RbTaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.112
_cell_length_b   8.580
_cell_length_c   5.174
_cell_angle_alpha   94.583
_cell_angle_beta   93.741
_cell_angle_gamma   114.194
_symmetry_Int_Tables_number   1
_cell_volume   365.633
_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
  Rb  Rb0  1  0.500  0.500  0.000  1.0
  Rb  Rb1  1  0.796  0.086  0.402  1.0
  Rb  Rb2  1  0.500  0.500  0.500  1.0
  Rb  Rb3  1  0.204  0.914  0.598  1.0
  Ta  Ta4  1  0.989  0.472  0.184  1.0
  Ta  Ta5  1  0.212  0.999  0.143  1.0
  Ta  Ta6  1  0.788  0.001  0.857  1.0
  Ta  Ta7  1  0.011  0.528  0.816  1.0
  O  O8  1  0.927  0.737  0.009  1.0
  O  O9  1  0.786  0.220  0.042  1.0
  O  O10  1  0.894  0.594  0.315  1.0
  O  O11  1  0.435  0.145  0.228  1.0
  O  O12  1  0.216  0.712  0.271  1.0
  O  O13  1  0.122  0.199  0.292  1.0
  O  O14  1  0.878  0.801  0.708  1.0
  O  O15  1  0.784  0.288  0.729  1.0
  O  O16  1  0.565  0.855  0.772  1.0
  O  O17  1  0.106  0.406  0.685  1.0
  O  O18  1  0.214  0.780  0.958  1.0
  O  O19  1  0.073  0.263  0.991  1.0
[/CIF]
.
The structure described by RbTaO3 crystallizes in the triclinic P-1 space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 2-coordinate geometry to two equivalent Rb(3) and two equivalent O(4) atoms. In the second Rb site, Rb(2) is bonded in a 2-coordinate geometry to one O(2) and one O(5) atom. In the third Rb site, Rb(3) is bonded to two equivalent Rb(1), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form distorted corner-sharing RbRb2O6 hexagonal bipyramids. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 1-coordinate geometry to one O(1), one O(2), one O(3), and one O(5) atom. In the second Ta site, Ta(2) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(4), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ta(1), one Ta(2), and one O(6) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Rb(2), one Ta(1), and one Ta(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Rb(3) and one Ta(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(3), and one Ta(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Rb(2) and one Ta(1) atom. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to one Rb(3), one Ta(2), and one O(1) atom. is represented by the CIF file [CIF]
data_RbTaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.112
_cell_length_b   8.580
_cell_length_c   5.174
_cell_angle_alpha   94.583
_cell_angle_beta   93.741
_cell_angle_gamma   114.194
_symmetry_Int_Tables_number   1
_cell_volume   365.633
_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
  Rb  Rb0  1  0.500  0.500  0.000  1.0
  Rb  Rb1  1  0.796  0.086  0.402  1.0
  Rb  Rb2  1  0.500  0.500  0.500  1.0
  Rb  Rb3  1  0.204  0.914  0.598  1.0
  Ta  Ta4  1  0.989  0.472  0.184  1.0
  Ta  Ta5  1  0.212  0.999  0.143  1.0
  Ta  Ta6  1  0.788  0.001  0.857  1.0
  Ta  Ta7  1  0.011  0.528  0.816  1.0
  O  O8  1  0.927  0.737  0.009  1.0
  O  O9  1  0.786  0.220  0.042  1.0
  O  O10  1  0.894  0.594  0.315  1.0
  O  O11  1  0.435  0.145  0.228  1.0
  O  O12  1  0.216  0.712  0.271  1.0
  O  O13  1  0.122  0.199  0.292  1.0
  O  O14  1  0.878  0.801  0.708  1.0
  O  O15  1  0.784  0.288  0.729  1.0
  O  O16  1  0.565  0.855  0.772  1.0
  O  O17  1  0.106  0.406  0.685  1.0
  O  O18  1  0.214  0.780  0.958  1.0
  O  O19  1  0.073  0.263  0.991  1.0
[/CIF]
.