The crystal 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 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to one O(2), one O(4), one O(5), two equivalent O(6), and three equivalent O(3) atoms. In the third Rb site, Rb(3) is bonded in a 6-coordinate geometry to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and two equivalent O(1) atoms. In the second Ta site, Ta(2) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ta(1) and two equivalent Ta(2) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Rb(1), one Rb(2), one Ta(1), and one Ta(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Rb(1), three equivalent Rb(2), 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(2), one Rb(3), and one Ta(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Rb(2), one Rb(3), one Ta(1), and one Ta(2) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Rb(3), two equivalent Rb(2), one Ta(1), and one Ta(2) atom. is represented by the CIF card [CIF]
data_RbTaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.108
_cell_length_b   8.463
_cell_length_c   8.995
_cell_angle_alpha   114.267
_cell_angle_beta   93.688
_cell_angle_gamma   94.532
_symmetry_Int_Tables_number   1
_cell_volume   351.317
_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  0.911  0.202  0.596  1.0
  Rb  Rb2  1  0.500  0.500  0.500  1.0
  Rb  Rb3  1  0.089  0.798  0.404  1.0
  Ta  Ta4  1  0.525  0.012  0.814  1.0
  Ta  Ta5  1  0.998  0.785  0.855  1.0
  Ta  Ta6  1  0.002  0.215  0.145  1.0
  Ta  Ta7  1  0.475  0.988  0.186  1.0
  O  O8  1  0.263  0.075  0.990  1.0
  O  O9  1  0.781  0.214  0.958  1.0
  O  O10  1  0.402  0.108  0.682  1.0
  O  O11  1  0.852  0.561  0.769  1.0
  O  O12  1  0.289  0.782  0.729  1.0
  O  O13  1  0.801  0.877  0.707  1.0
  O  O14  1  0.199  0.123  0.293  1.0
  O  O15  1  0.711  0.218  0.271  1.0
  O  O16  1  0.148  0.439  0.231  1.0
  O  O17  1  0.598  0.892  0.318  1.0
  O  O18  1  0.219  0.786  0.042  1.0
  O  O19  1  0.737  0.925  0.010  1.0
[/CIF]
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The crystal 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 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to one O(2), one O(4), one O(5), two equivalent O(6), and three equivalent O(3) atoms. In the third Rb site, Rb(3) is bonded in a 6-coordinate geometry to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and two equivalent O(1) atoms. In the second Ta site, Ta(2) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ta(1) and two equivalent Ta(2) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Rb(1), one Rb(2), one Ta(1), and one Ta(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Rb(1), three equivalent Rb(2), 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(2), one Rb(3), and one Ta(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Rb(2), one Rb(3), one Ta(1), and one Ta(2) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Rb(3), two equivalent Rb(2), one Ta(1), and one Ta(2) atom. is represented by the CIF card [CIF]
data_RbTaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.108
_cell_length_b   8.463
_cell_length_c   8.995
_cell_angle_alpha   114.267
_cell_angle_beta   93.688
_cell_angle_gamma   94.532
_symmetry_Int_Tables_number   1
_cell_volume   351.317
_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  0.911  0.202  0.596  1.0
  Rb  Rb2  1  0.500  0.500  0.500  1.0
  Rb  Rb3  1  0.089  0.798  0.404  1.0
  Ta  Ta4  1  0.525  0.012  0.814  1.0
  Ta  Ta5  1  0.998  0.785  0.855  1.0
  Ta  Ta6  1  0.002  0.215  0.145  1.0
  Ta  Ta7  1  0.475  0.988  0.186  1.0
  O  O8  1  0.263  0.075  0.990  1.0
  O  O9  1  0.781  0.214  0.958  1.0
  O  O10  1  0.402  0.108  0.682  1.0
  O  O11  1  0.852  0.561  0.769  1.0
  O  O12  1  0.289  0.782  0.729  1.0
  O  O13  1  0.801  0.877  0.707  1.0
  O  O14  1  0.199  0.123  0.293  1.0
  O  O15  1  0.711  0.218  0.271  1.0
  O  O16  1  0.148  0.439  0.231  1.0
  O  O17  1  0.598  0.892  0.318  1.0
  O  O18  1  0.219  0.786  0.042  1.0
  O  O19  1  0.737  0.925  0.010  1.0
[/CIF]
.