The material described by RbPbO6I is Hydrophilite-derived structured and crystallizes in the hexagonal P6_322 space group. Rb(1) is bonded to six equivalent O(1) atoms to form distorted RbO6 pentagonal pyramids that share corners with six equivalent Pb(1)O6 octahedra and corners with six equivalent I(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-60°. Pb(1) is bonded to six equivalent O(1) atoms to form distorted PbO6 octahedra that share corners with six equivalent Rb(1)O6 pentagonal pyramids and edges with three equivalent I(1)O6 octahedra. O(1) is bonded in a distorted trigonal planar geometry to one Rb(1), one Pb(1), and one I(1) atom. I(1) is bonded to six equivalent O(1) atoms to form IO6 octahedra that share corners with six equivalent Rb(1)O6 pentagonal pyramids and edges with three equivalent Pb(1)O6 octahedra. is represented by the CIF card [CIF]
data_RbPbIO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.560
_cell_length_b   5.560
_cell_length_c   12.433
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   332.804
_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  0.000  0.000  0.500  1.0
  Pb  Pb2  1  0.667  0.333  0.250  1.0
  Pb  Pb3  1  0.333  0.667  0.750  1.0
  I  I4  1  0.333  0.667  0.250  1.0
  I  I5  1  0.667  0.333  0.750  1.0
  O  O6  1  0.637  0.597  0.659  1.0
  O  O7  1  0.637  0.040  0.841  1.0
  O  O8  1  0.960  0.597  0.841  1.0
  O  O9  1  0.403  0.363  0.841  1.0
  O  O10  1  0.040  0.403  0.341  1.0
  O  O11  1  0.403  0.040  0.659  1.0
  O  O12  1  0.363  0.960  0.341  1.0
  O  O13  1  0.363  0.403  0.159  1.0
  O  O14  1  0.960  0.363  0.659  1.0
  O  O15  1  0.597  0.960  0.159  1.0
  O  O16  1  0.040  0.637  0.159  1.0
  O  O17  1  0.597  0.637  0.341  1.0
[/CIF]
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The material described by RbPbO6I is Hydrophilite-derived structured and crystallizes in the hexagonal P6_322 space group. Rb(1) is bonded to six equivalent O(1) atoms to form distorted RbO6 pentagonal pyramids that share corners with six equivalent Pb(1)O6 octahedra and corners with six equivalent I(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-60°. Pb(1) is bonded to six equivalent O(1) atoms to form distorted PbO6 octahedra that share corners with six equivalent Rb(1)O6 pentagonal pyramids and edges with three equivalent I(1)O6 octahedra. O(1) is bonded in a distorted trigonal planar geometry to one Rb(1), one Pb(1), and one I(1) atom. I(1) is bonded to six equivalent O(1) atoms to form IO6 octahedra that share corners with six equivalent Rb(1)O6 pentagonal pyramids and edges with three equivalent Pb(1)O6 octahedra. is represented by the CIF card [CIF]
data_RbPbIO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.560
_cell_length_b   5.560
_cell_length_c   12.433
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   332.804
_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  0.000  0.000  0.500  1.0
  Pb  Pb2  1  0.667  0.333  0.250  1.0
  Pb  Pb3  1  0.333  0.667  0.750  1.0
  I  I4  1  0.333  0.667  0.250  1.0
  I  I5  1  0.667  0.333  0.750  1.0
  O  O6  1  0.637  0.597  0.659  1.0
  O  O7  1  0.637  0.040  0.841  1.0
  O  O8  1  0.960  0.597  0.841  1.0
  O  O9  1  0.403  0.363  0.841  1.0
  O  O10  1  0.040  0.403  0.341  1.0
  O  O11  1  0.403  0.040  0.659  1.0
  O  O12  1  0.363  0.960  0.341  1.0
  O  O13  1  0.363  0.403  0.159  1.0
  O  O14  1  0.960  0.363  0.659  1.0
  O  O15  1  0.597  0.960  0.159  1.0
  O  O16  1  0.040  0.637  0.159  1.0
  O  O17  1  0.597  0.637  0.341  1.0
[/CIF]
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