The material described by Rb12Li(OCl)4 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the monoclinic Pm space group. There are eight inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a distorted water-like geometry to one Cl(1) and one Cl(2) atom. In the second Rb site, Rb(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one Cl(1), one Cl(3), and one Cl(4) atom. In the third Rb site, Rb(3) is bonded in a 4-coordinate geometry to one O(1), one O(2), one Cl(3), and one Cl(4) atom. In the fourth Rb site, Rb(4) is bonded in a 3-coordinate geometry to two equivalent O(2) and one Cl(1) atom. In the fifth Rb site, Rb(5) is bonded in a 4-coordinate geometry to two equivalent O(2), one Cl(3), and one Cl(4) atom. In the sixth Rb site, Rb(6) is bonded in a 4-coordinate geometry to one O(1), one O(2), one Cl(1), one Cl(2), and one Cl(3) atom. In the seventh Rb site, Rb(7) is bonded in a 1-coordinate geometry to one O(2), one Cl(1), one Cl(2), and one Cl(4) atom. In the eighth Rb site, Rb(8) is bonded in a 4-coordinate geometry to two equivalent O(1), one Cl(3), and one Cl(4) atom. Li(1) is bonded in a 3-coordinate geometry to two equivalent O(1) and one Cl(3) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Rb(2), one Rb(3), one Rb(6), one Rb(8), and one Li(1) atom. In the second O site, O(2) is bonded to one Rb(2), one Rb(3), one Rb(4), one Rb(5), one Rb(6), and one Rb(7) atom to form corner-sharing ORb6 octahedra. The corner-sharing octahedral tilt angles range from 38-39°. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 8-coordinate geometry to one Rb(1), one Rb(4), two equivalent Rb(2), two equivalent Rb(6), and two equivalent Rb(7) atoms. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to one Rb(1), two equivalent Rb(6), and two equivalent Rb(7) atoms. In the third Cl site, Cl(3) is bonded in a 9-coordinate geometry to one Rb(5), one Rb(8), two equivalent Rb(2), two equivalent Rb(3), two equivalent Rb(6), and one Li(1) atom. In the fourth Cl site, Cl(4) is bonded in a 8-coordinate geometry to one Rb(5), one Rb(8), two equivalent Rb(2), two equivalent Rb(3), and two equivalent Rb(7) atoms. is represented by the CIF file [CIF]
data_Rb12Li(ClO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.735
_cell_length_b   8.542
_cell_length_c   10.582
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   96.381
_symmetry_Int_Tables_number   1
_cell_volume   694.790
_cell_formula_units_Z   1
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  0.112  0.476  0.250  1.0
  Rb  Rb1  1  0.223  0.172  0.536  1.0
  Rb  Rb2  1  0.223  0.172  0.964  1.0
  Rb  Rb3  1  0.288  0.696  0.940  1.0
  Rb  Rb4  1  0.288  0.696  0.560  1.0
  Rb  Rb5  1  0.394  0.973  0.250  1.0
  Rb  Rb6  1  0.620  0.055  0.750  1.0
  Rb  Rb7  1  0.728  0.292  0.034  1.0
  Rb  Rb8  1  0.728  0.292  0.466  1.0
  Rb  Rb9  1  0.776  0.830  0.058  1.0
  Rb  Rb10  1  0.776  0.830  0.442  1.0
  Rb  Rb11  1  0.827  0.581  0.750  1.0
  Li  Li12  1  0.097  0.401  0.750  1.0
  Cl  Cl13  1  0.980  0.108  0.250  1.0
  Cl  Cl14  1  0.546  0.540  0.250  1.0
  Cl  Cl15  1  0.447  0.402  0.750  1.0
  Cl  Cl16  1  0.026  0.930  0.750  1.0
  O  O17  1  0.027  0.436  0.917  1.0
  O  O18  1  0.027  0.436  0.583  1.0
  O  O19  1  0.517  0.991  1.000  1.0
  O  O20  1  0.517  0.991  0.500  1.0
[/CIF]
.
The material described by Rb12Li(OCl)4 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the monoclinic Pm space group. There are eight inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a distorted water-like geometry to one Cl(1) and one Cl(2) atom. In the second Rb site, Rb(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one Cl(1), one Cl(3), and one Cl(4) atom. In the third Rb site, Rb(3) is bonded in a 4-coordinate geometry to one O(1), one O(2), one Cl(3), and one Cl(4) atom. In the fourth Rb site, Rb(4) is bonded in a 3-coordinate geometry to two equivalent O(2) and one Cl(1) atom. In the fifth Rb site, Rb(5) is bonded in a 4-coordinate geometry to two equivalent O(2), one Cl(3), and one Cl(4) atom. In the sixth Rb site, Rb(6) is bonded in a 4-coordinate geometry to one O(1), one O(2), one Cl(1), one Cl(2), and one Cl(3) atom. In the seventh Rb site, Rb(7) is bonded in a 1-coordinate geometry to one O(2), one Cl(1), one Cl(2), and one Cl(4) atom. In the eighth Rb site, Rb(8) is bonded in a 4-coordinate geometry to two equivalent O(1), one Cl(3), and one Cl(4) atom. Li(1) is bonded in a 3-coordinate geometry to two equivalent O(1) and one Cl(3) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Rb(2), one Rb(3), one Rb(6), one Rb(8), and one Li(1) atom. In the second O site, O(2) is bonded to one Rb(2), one Rb(3), one Rb(4), one Rb(5), one Rb(6), and one Rb(7) atom to form corner-sharing ORb6 octahedra. The corner-sharing octahedral tilt angles range from 38-39°. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 8-coordinate geometry to one Rb(1), one Rb(4), two equivalent Rb(2), two equivalent Rb(6), and two equivalent Rb(7) atoms. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to one Rb(1), two equivalent Rb(6), and two equivalent Rb(7) atoms. In the third Cl site, Cl(3) is bonded in a 9-coordinate geometry to one Rb(5), one Rb(8), two equivalent Rb(2), two equivalent Rb(3), two equivalent Rb(6), and one Li(1) atom. In the fourth Cl site, Cl(4) is bonded in a 8-coordinate geometry to one Rb(5), one Rb(8), two equivalent Rb(2), two equivalent Rb(3), and two equivalent Rb(7) atoms. is represented by the CIF file [CIF]
data_Rb12Li(ClO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.735
_cell_length_b   8.542
_cell_length_c   10.582
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   96.381
_symmetry_Int_Tables_number   1
_cell_volume   694.790
_cell_formula_units_Z   1
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  0.112  0.476  0.250  1.0
  Rb  Rb1  1  0.223  0.172  0.536  1.0
  Rb  Rb2  1  0.223  0.172  0.964  1.0
  Rb  Rb3  1  0.288  0.696  0.940  1.0
  Rb  Rb4  1  0.288  0.696  0.560  1.0
  Rb  Rb5  1  0.394  0.973  0.250  1.0
  Rb  Rb6  1  0.620  0.055  0.750  1.0
  Rb  Rb7  1  0.728  0.292  0.034  1.0
  Rb  Rb8  1  0.728  0.292  0.466  1.0
  Rb  Rb9  1  0.776  0.830  0.058  1.0
  Rb  Rb10  1  0.776  0.830  0.442  1.0
  Rb  Rb11  1  0.827  0.581  0.750  1.0
  Li  Li12  1  0.097  0.401  0.750  1.0
  Cl  Cl13  1  0.980  0.108  0.250  1.0
  Cl  Cl14  1  0.546  0.540  0.250  1.0
  Cl  Cl15  1  0.447  0.402  0.750  1.0
  Cl  Cl16  1  0.026  0.930  0.750  1.0
  O  O17  1  0.027  0.436  0.917  1.0
  O  O18  1  0.027  0.436  0.583  1.0
  O  O19  1  0.517  0.991  1.000  1.0
  O  O20  1  0.517  0.991  0.500  1.0
[/CIF]
.