The compound described by RbU3TiTe9 crystallizes in the monoclinic P2_1/m space group. Rb(1) is bonded to two equivalent Te(1), two equivalent Te(2), two equivalent Te(7), three equivalent Te(3), and three equivalent Te(5) atoms to form RbTe12 cuboctahedra that share corners with two equivalent Rb(1)Te12 cuboctahedra, corners with four equivalent Ti(1)Te6 octahedra, edges with two equivalent Rb(1)Te12 cuboctahedra, faces with two equivalent Rb(1)Te12 cuboctahedra, and faces with four equivalent Ti(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are three inequivalent U sites. In the first U site, U(1) is bonded in a 8-coordinate geometry to one Te(3), one Te(5), two equivalent Te(1), two equivalent Te(2), and two equivalent Te(7) atoms. In the second U site, U(2) is bonded in a 8-coordinate geometry to one Te(4), two equivalent Te(1), two equivalent Te(2), and three equivalent Te(6) atoms. In the third U site, U(3) is bonded in a 8-coordinate geometry to one Te(6), two equivalent Te(1), two equivalent Te(2), and three equivalent Te(4) atoms. Ti(1) is bonded to two equivalent Te(3), two equivalent Te(5), and two equivalent Te(7) atoms to form TiTe6 octahedra that share corners with four equivalent Rb(1)Te12 cuboctahedra, faces with four equivalent Rb(1)Te12 cuboctahedra, and faces with two equivalent Ti(1)Te6 octahedra. There are seven inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to one Rb(1), one U(1), one U(2), one U(3), and two equivalent Te(1) atoms. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to one Rb(1), one U(1), one U(2), one U(3), and two equivalent Te(2) atoms. In the third Te site, Te(3) is bonded to three equivalent Rb(1), one U(1), and two equivalent Ti(1) atoms to form a mixture of distorted edge, face, and corner-sharing TeRb3UTi2 octahedra. The corner-sharing octahedral tilt angles range from 0-77°. In the fourth Te site, Te(4) is bonded to one U(2) and three equivalent U(3) atoms to form a mixture of distorted edge and corner-sharing TeU4 trigonal pyramids. In the fifth Te site, Te(5) is bonded to three equivalent Rb(1), one U(1), and two equivalent Ti(1) atoms to form a mixture of distorted edge, face, and corner-sharing TeRb3UTi2 octahedra. The corner-sharing octahedral tilt angles range from 0-77°. In the sixth Te site, Te(6) is bonded to one U(3) and three equivalent U(2) atoms to form a mixture of distorted edge and corner-sharing TeU4 trigonal pyramids. In the seventh Te site, Te(7) is bonded in a 4-coordinate geometry to two equivalent Rb(1), two equivalent U(1), and two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbU3TiTe9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.221
_cell_length_b   8.442
_cell_length_c   17.895
_cell_angle_alpha   83.222
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   933.220
_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  0.250  0.533  0.869  1.0
  Rb  Rb1  1  0.750  0.467  0.131  1.0
  U  U2  1  0.250  0.953  0.190  1.0
  U  U3  1  0.750  0.047  0.810  1.0
  U  U4  1  0.250  0.897  0.411  1.0
  U  U5  1  0.750  0.103  0.589  1.0
  U  U6  1  0.250  0.401  0.401  1.0
  U  U7  1  0.750  0.599  0.599  1.0
  Ti  Ti8  1  0.000  0.000  0.000  1.0
  Ti  Ti9  1  0.500  0.000  0.000  1.0
  Te  Te10  1  0.999  0.834  0.698  1.0
  Te  Te11  1  0.499  0.166  0.302  1.0
  Te  Te12  1  0.001  0.166  0.302  1.0
  Te  Te13  1  0.501  0.834  0.698  1.0
  Te  Te14  1  0.001  0.685  0.302  1.0
  Te  Te15  1  0.501  0.315  0.698  1.0
  Te  Te16  1  0.999  0.315  0.698  1.0
  Te  Te17  1  0.499  0.685  0.302  1.0
  Te  Te18  1  0.250  0.740  0.062  1.0
  Te  Te19  1  0.750  0.260  0.938  1.0
  Te  Te20  1  0.250  0.612  0.535  1.0
  Te  Te21  1  0.750  0.388  0.465  1.0
  Te  Te22  1  0.250  0.229  0.061  1.0
  Te  Te23  1  0.750  0.771  0.939  1.0
  Te  Te24  1  0.250  0.121  0.533  1.0
  Te  Te25  1  0.750  0.879  0.467  1.0
  Te  Te26  1  0.250  0.033  0.868  1.0
  Te  Te27  1  0.750  0.967  0.132  1.0
[/CIF]
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The compound described by RbU3TiTe9 crystallizes in the monoclinic P2_1/m space group. Rb(1) is bonded to two equivalent Te(1), two equivalent Te(2), two equivalent Te(7), three equivalent Te(3), and three equivalent Te(5) atoms to form RbTe12 cuboctahedra that share corners with two equivalent Rb(1)Te12 cuboctahedra, corners with four equivalent Ti(1)Te6 octahedra, edges with two equivalent Rb(1)Te12 cuboctahedra, faces with two equivalent Rb(1)Te12 cuboctahedra, and faces with four equivalent Ti(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are three inequivalent U sites. In the first U site, U(1) is bonded in a 8-coordinate geometry to one Te(3), one Te(5), two equivalent Te(1), two equivalent Te(2), and two equivalent Te(7) atoms. In the second U site, U(2) is bonded in a 8-coordinate geometry to one Te(4), two equivalent Te(1), two equivalent Te(2), and three equivalent Te(6) atoms. In the third U site, U(3) is bonded in a 8-coordinate geometry to one Te(6), two equivalent Te(1), two equivalent Te(2), and three equivalent Te(4) atoms. Ti(1) is bonded to two equivalent Te(3), two equivalent Te(5), and two equivalent Te(7) atoms to form TiTe6 octahedra that share corners with four equivalent Rb(1)Te12 cuboctahedra, faces with four equivalent Rb(1)Te12 cuboctahedra, and faces with two equivalent Ti(1)Te6 octahedra. There are seven inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to one Rb(1), one U(1), one U(2), one U(3), and two equivalent Te(1) atoms. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to one Rb(1), one U(1), one U(2), one U(3), and two equivalent Te(2) atoms. In the third Te site, Te(3) is bonded to three equivalent Rb(1), one U(1), and two equivalent Ti(1) atoms to form a mixture of distorted edge, face, and corner-sharing TeRb3UTi2 octahedra. The corner-sharing octahedral tilt angles range from 0-77°. In the fourth Te site, Te(4) is bonded to one U(2) and three equivalent U(3) atoms to form a mixture of distorted edge and corner-sharing TeU4 trigonal pyramids. In the fifth Te site, Te(5) is bonded to three equivalent Rb(1), one U(1), and two equivalent Ti(1) atoms to form a mixture of distorted edge, face, and corner-sharing TeRb3UTi2 octahedra. The corner-sharing octahedral tilt angles range from 0-77°. In the sixth Te site, Te(6) is bonded to one U(3) and three equivalent U(2) atoms to form a mixture of distorted edge and corner-sharing TeU4 trigonal pyramids. In the seventh Te site, Te(7) is bonded in a 4-coordinate geometry to two equivalent Rb(1), two equivalent U(1), and two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbU3TiTe9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.221
_cell_length_b   8.442
_cell_length_c   17.895
_cell_angle_alpha   83.222
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   933.220
_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  0.250  0.533  0.869  1.0
  Rb  Rb1  1  0.750  0.467  0.131  1.0
  U  U2  1  0.250  0.953  0.190  1.0
  U  U3  1  0.750  0.047  0.810  1.0
  U  U4  1  0.250  0.897  0.411  1.0
  U  U5  1  0.750  0.103  0.589  1.0
  U  U6  1  0.250  0.401  0.401  1.0
  U  U7  1  0.750  0.599  0.599  1.0
  Ti  Ti8  1  0.000  0.000  0.000  1.0
  Ti  Ti9  1  0.500  0.000  0.000  1.0
  Te  Te10  1  0.999  0.834  0.698  1.0
  Te  Te11  1  0.499  0.166  0.302  1.0
  Te  Te12  1  0.001  0.166  0.302  1.0
  Te  Te13  1  0.501  0.834  0.698  1.0
  Te  Te14  1  0.001  0.685  0.302  1.0
  Te  Te15  1  0.501  0.315  0.698  1.0
  Te  Te16  1  0.999  0.315  0.698  1.0
  Te  Te17  1  0.499  0.685  0.302  1.0
  Te  Te18  1  0.250  0.740  0.062  1.0
  Te  Te19  1  0.750  0.260  0.938  1.0
  Te  Te20  1  0.250  0.612  0.535  1.0
  Te  Te21  1  0.750  0.388  0.465  1.0
  Te  Te22  1  0.250  0.229  0.061  1.0
  Te  Te23  1  0.750  0.771  0.939  1.0
  Te  Te24  1  0.250  0.121  0.533  1.0
  Te  Te25  1  0.750  0.879  0.467  1.0
  Te  Te26  1  0.250  0.033  0.868  1.0
  Te  Te27  1  0.750  0.967  0.132  1.0
[/CIF]
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