The material described by RbTa2O6 crystallizes in the orthorhombic Ima2 space group. Rb(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(4) atoms. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 38-39°. In the second Ta site, Ta(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 38-39°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Rb(1) and two equivalent Ta(2) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Ta(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ta(1) and one Ta(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Rb(1), one Ta(1), and one Ta(2) atom. is represented by the CIF file [CIF]
data_RbTa2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.511
_cell_length_b   7.511
_cell_length_c   7.511
_cell_angle_alpha   120.082
_cell_angle_beta   119.885
_cell_angle_gamma   90.029
_symmetry_Int_Tables_number   1
_cell_volume   299.756
_cell_formula_units_Z   2
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  0.217  0.903  0.813  1.0
  Rb  Rb1  1  0.910  0.097  0.313  1.0
  Ta  Ta2  1  0.003  0.500  0.003  1.0
  Ta  Ta3  1  0.504  0.500  0.503  1.0
  Ta  Ta4  1  0.503  0.000  0.503  1.0
  Ta  Ta5  1  0.503  0.500  0.003  1.0
  O  O6  1  0.559  0.812  0.247  1.0
  O  O7  1  0.189  0.438  0.251  1.0
  O  O8  1  0.560  0.434  0.247  1.0
  O  O9  1  0.189  0.812  0.251  1.0
  O  O10  1  0.189  0.438  0.877  1.0
  O  O11  1  0.560  0.812  0.626  1.0
  O  O12  1  0.435  0.188  0.747  1.0
  O  O13  1  0.813  0.562  0.751  1.0
  O  O14  1  0.439  0.562  0.751  1.0
  O  O15  1  0.813  0.188  0.747  1.0
  O  O16  1  0.813  0.566  0.126  1.0
  O  O17  1  0.439  0.188  0.377  1.0
[/CIF]
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The material described by RbTa2O6 crystallizes in the orthorhombic Ima2 space group. Rb(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(4) atoms. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 38-39°. In the second Ta site, Ta(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 38-39°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Rb(1) and two equivalent Ta(2) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Ta(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ta(1) and one Ta(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Rb(1), one Ta(1), and one Ta(2) atom. is represented by the CIF file [CIF]
data_RbTa2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.511
_cell_length_b   7.511
_cell_length_c   7.511
_cell_angle_alpha   120.082
_cell_angle_beta   119.885
_cell_angle_gamma   90.029
_symmetry_Int_Tables_number   1
_cell_volume   299.756
_cell_formula_units_Z   2
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  0.217  0.903  0.813  1.0
  Rb  Rb1  1  0.910  0.097  0.313  1.0
  Ta  Ta2  1  0.003  0.500  0.003  1.0
  Ta  Ta3  1  0.504  0.500  0.503  1.0
  Ta  Ta4  1  0.503  0.000  0.503  1.0
  Ta  Ta5  1  0.503  0.500  0.003  1.0
  O  O6  1  0.559  0.812  0.247  1.0
  O  O7  1  0.189  0.438  0.251  1.0
  O  O8  1  0.560  0.434  0.247  1.0
  O  O9  1  0.189  0.812  0.251  1.0
  O  O10  1  0.189  0.438  0.877  1.0
  O  O11  1  0.560  0.812  0.626  1.0
  O  O12  1  0.435  0.188  0.747  1.0
  O  O13  1  0.813  0.562  0.751  1.0
  O  O14  1  0.439  0.562  0.751  1.0
  O  O15  1  0.813  0.188  0.747  1.0
  O  O16  1  0.813  0.566  0.126  1.0
  O  O17  1  0.439  0.188  0.377  1.0
[/CIF]
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