The compound described by Rb2TeO3 is Krennerite-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form face-sharing RbO6 octahedra. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. In the third Rb site, Rb(3) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted face-sharing RbO6 octahedra. Te(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Rb(1), one Rb(3), two equivalent Rb(2), and one Te(1) atom to form a mixture of distorted corner, edge, and face-sharing ORb4Te square pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Rb(1), one Rb(3), two equivalent Rb(2), and one Te(1) atom. is represented by the CIF card [CIF]
data_Rb2TeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.436
_cell_length_b   6.653
_cell_length_c   7.512
_cell_angle_alpha   94.324
_cell_angle_beta   90.000
_cell_angle_gamma   118.926
_symmetry_Int_Tables_number   1
_cell_volume   280.489
_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  0.000  0.000  0.000  1.0
  Rb  Rb1  1  0.318  0.637  0.863  1.0
  Rb  Rb2  1  0.000  0.000  0.500  1.0
  Rb  Rb3  1  0.682  0.363  0.137  1.0
  Te  Te4  1  0.338  0.676  0.344  1.0
  Te  Te5  1  0.662  0.324  0.656  1.0
  O  O6  1  0.165  0.776  0.214  1.0
  O  O7  1  0.389  0.224  0.786  1.0
  O  O8  1  0.835  0.224  0.786  1.0
  O  O9  1  0.611  0.776  0.214  1.0
  O  O10  1  0.818  0.636  0.730  1.0
  O  O11  1  0.182  0.364  0.270  1.0
[/CIF]
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The compound described by Rb2TeO3 is Krennerite-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form face-sharing RbO6 octahedra. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. In the third Rb site, Rb(3) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted face-sharing RbO6 octahedra. Te(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Rb(1), one Rb(3), two equivalent Rb(2), and one Te(1) atom to form a mixture of distorted corner, edge, and face-sharing ORb4Te square pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Rb(1), one Rb(3), two equivalent Rb(2), and one Te(1) atom. is represented by the CIF card [CIF]
data_Rb2TeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.436
_cell_length_b   6.653
_cell_length_c   7.512
_cell_angle_alpha   94.324
_cell_angle_beta   90.000
_cell_angle_gamma   118.926
_symmetry_Int_Tables_number   1
_cell_volume   280.489
_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  0.000  0.000  0.000  1.0
  Rb  Rb1  1  0.318  0.637  0.863  1.0
  Rb  Rb2  1  0.000  0.000  0.500  1.0
  Rb  Rb3  1  0.682  0.363  0.137  1.0
  Te  Te4  1  0.338  0.676  0.344  1.0
  Te  Te5  1  0.662  0.324  0.656  1.0
  O  O6  1  0.165  0.776  0.214  1.0
  O  O7  1  0.389  0.224  0.786  1.0
  O  O8  1  0.835  0.224  0.786  1.0
  O  O9  1  0.611  0.776  0.214  1.0
  O  O10  1  0.818  0.636  0.730  1.0
  O  O11  1  0.182  0.364  0.270  1.0
[/CIF]
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