The compound described by Rb12Mg(OCl)4 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are twelve inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one Cl(1), and one Cl(2) atom. In the second Rb site, Rb(2) is bonded in a 4-coordinate geometry to one O(2), one O(4), one Cl(3), and one Cl(4) atom. In the third Rb site, Rb(3) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one Cl(1) atom. In the fourth Rb site, Rb(4) is bonded in a 4-coordinate geometry to one O(1), one O(3), one Cl(3), and one Cl(4) atom. In the fifth Rb site, Rb(5) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(4), one Cl(3), and one Cl(4) atom. In the sixth Rb site, Rb(6) is bonded in a 1-coordinate geometry to one O(3), one Cl(1), and one Cl(2) atom. In the seventh Rb site, Rb(7) is bonded to one O(3), one O(4), one Cl(3), and one Cl(4) atom to form distorted corner-sharing RbCl2O2 trigonal pyramids. In the eighth Rb site, Rb(8) is bonded to one O(1), one O(3), one Cl(1), and one Cl(2) atom to form distorted corner-sharing RbCl2O2 trigonal pyramids. In the ninth Rb site, Rb(9) is bonded in a 5-coordinate geometry to one O(2), one O(4), one Cl(1), one Cl(2), and one Cl(4) atom. In the tenth Rb site, Rb(10) is bonded in a 5-coordinate geometry to one O(1), one O(3), one Cl(1), one Cl(2), and one Cl(4) atom. In the eleventh Rb site, Rb(11) is bonded in a 4-coordinate geometry to one O(2), one Cl(1), one Cl(2), and one Cl(3) atom. In the twelfth Rb site, Rb(12) is bonded in a 3-coordinate geometry to one O(1), one O(2), one Cl(3), and one Cl(4) atom. Mg(1) is bonded in a distorted single-bond geometry to one O(4) and one Cl(2) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Rb(1), one Rb(10), one Rb(12), one Rb(3), one Rb(4), and one Rb(8) atom to form corner-sharing ORb6 octahedra. The corner-sharing octahedral tilt angles range from 15-38°. In the second O site, O(2) is bonded to one Rb(1), one Rb(11), one Rb(12), one Rb(2), one Rb(5), and one Rb(9) atom to form distorted corner-sharing ORb6 octahedra. The corner-sharing octahedral tilt angles range from 15-38°. In the third O site, O(3) is bonded to one Rb(10), one Rb(3), one Rb(4), one Rb(6), one Rb(7), and one Rb(8) atom to form corner-sharing ORb6 octahedra. The corner-sharing octahedral tilt angles range from 15-36°. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Rb(2), one Rb(5), one Rb(7), one Rb(9), and one Mg(1) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 7-coordinate geometry to one Rb(1), one Rb(10), one Rb(11), one Rb(3), one Rb(6), one Rb(8), and one Rb(9) atom. In the second Cl site, Cl(2) is bonded in a 7-coordinate geometry to one Rb(1), one Rb(10), one Rb(11), one Rb(6), one Rb(8), one Rb(9), and one Mg(1) atom. In the third Cl site, Cl(3) is bonded in a 6-coordinate geometry to one Rb(11), one Rb(12), one Rb(2), one Rb(4), one Rb(5), and one Rb(7) atom. In the fourth Cl site, Cl(4) is bonded in a 7-coordinate geometry to one Rb(10), one Rb(12), one Rb(2), one Rb(4), one Rb(5), one Rb(7), and one Rb(9) atom. is represented by the CIF card [CIF]
data_Rb12Mg(ClO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.169
_cell_length_b   7.826
_cell_length_c   11.409
_cell_angle_alpha   82.435
_cell_angle_beta   91.072
_cell_angle_gamma   91.967
_symmetry_Int_Tables_number   1
_cell_volume   722.589
_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  0.040  0.531  0.241  1.0
  Rb  Rb1  1  0.245  0.315  0.618  1.0
  Rb  Rb2  1  0.190  0.201  0.029  1.0
  Rb  Rb3  1  0.240  0.728  0.908  1.0
  Rb  Rb4  1  0.216  0.811  0.525  1.0
  Rb  Rb5  1  0.457  0.859  0.198  1.0
  Rb  Rb6  1  0.568  0.012  0.742  1.0
  Rb  Rb7  1  0.707  0.247  0.050  1.0
  Rb  Rb8  1  0.829  0.232  0.468  1.0
  Rb  Rb9  1  0.770  0.753  0.000  1.0
  Rb  Rb10  1  0.747  0.730  0.474  1.0
  Rb  Rb11  1  0.888  0.488  0.758  1.0
  Mg  Mg12  1  0.409  0.223  0.359  1.0
  Cl  Cl13  1  0.911  0.954  0.227  1.0
  Cl  Cl14  1  0.641  0.496  0.259  1.0
  Cl  Cl15  1  0.502  0.593  0.723  1.0
  Cl  Cl16  1  0.975  0.983  0.731  1.0
  O  O17  1  0.990  0.487  0.992  1.0
  O  O18  1  0.004  0.528  0.530  1.0
  O  O19  1  0.476  0.974  0.978  1.0
  O  O20  1  0.494  0.113  0.504  1.0
[/CIF]
.
The compound described by Rb12Mg(OCl)4 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are twelve inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one Cl(1), and one Cl(2) atom. In the second Rb site, Rb(2) is bonded in a 4-coordinate geometry to one O(2), one O(4), one Cl(3), and one Cl(4) atom. In the third Rb site, Rb(3) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one Cl(1) atom. In the fourth Rb site, Rb(4) is bonded in a 4-coordinate geometry to one O(1), one O(3), one Cl(3), and one Cl(4) atom. In the fifth Rb site, Rb(5) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(4), one Cl(3), and one Cl(4) atom. In the sixth Rb site, Rb(6) is bonded in a 1-coordinate geometry to one O(3), one Cl(1), and one Cl(2) atom. In the seventh Rb site, Rb(7) is bonded to one O(3), one O(4), one Cl(3), and one Cl(4) atom to form distorted corner-sharing RbCl2O2 trigonal pyramids. In the eighth Rb site, Rb(8) is bonded to one O(1), one O(3), one Cl(1), and one Cl(2) atom to form distorted corner-sharing RbCl2O2 trigonal pyramids. In the ninth Rb site, Rb(9) is bonded in a 5-coordinate geometry to one O(2), one O(4), one Cl(1), one Cl(2), and one Cl(4) atom. In the tenth Rb site, Rb(10) is bonded in a 5-coordinate geometry to one O(1), one O(3), one Cl(1), one Cl(2), and one Cl(4) atom. In the eleventh Rb site, Rb(11) is bonded in a 4-coordinate geometry to one O(2), one Cl(1), one Cl(2), and one Cl(3) atom. In the twelfth Rb site, Rb(12) is bonded in a 3-coordinate geometry to one O(1), one O(2), one Cl(3), and one Cl(4) atom. Mg(1) is bonded in a distorted single-bond geometry to one O(4) and one Cl(2) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Rb(1), one Rb(10), one Rb(12), one Rb(3), one Rb(4), and one Rb(8) atom to form corner-sharing ORb6 octahedra. The corner-sharing octahedral tilt angles range from 15-38°. In the second O site, O(2) is bonded to one Rb(1), one Rb(11), one Rb(12), one Rb(2), one Rb(5), and one Rb(9) atom to form distorted corner-sharing ORb6 octahedra. The corner-sharing octahedral tilt angles range from 15-38°. In the third O site, O(3) is bonded to one Rb(10), one Rb(3), one Rb(4), one Rb(6), one Rb(7), and one Rb(8) atom to form corner-sharing ORb6 octahedra. The corner-sharing octahedral tilt angles range from 15-36°. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Rb(2), one Rb(5), one Rb(7), one Rb(9), and one Mg(1) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 7-coordinate geometry to one Rb(1), one Rb(10), one Rb(11), one Rb(3), one Rb(6), one Rb(8), and one Rb(9) atom. In the second Cl site, Cl(2) is bonded in a 7-coordinate geometry to one Rb(1), one Rb(10), one Rb(11), one Rb(6), one Rb(8), one Rb(9), and one Mg(1) atom. In the third Cl site, Cl(3) is bonded in a 6-coordinate geometry to one Rb(11), one Rb(12), one Rb(2), one Rb(4), one Rb(5), and one Rb(7) atom. In the fourth Cl site, Cl(4) is bonded in a 7-coordinate geometry to one Rb(10), one Rb(12), one Rb(2), one Rb(4), one Rb(5), one Rb(7), and one Rb(9) atom. is represented by the CIF card [CIF]
data_Rb12Mg(ClO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.169
_cell_length_b   7.826
_cell_length_c   11.409
_cell_angle_alpha   82.435
_cell_angle_beta   91.072
_cell_angle_gamma   91.967
_symmetry_Int_Tables_number   1
_cell_volume   722.589
_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  0.040  0.531  0.241  1.0
  Rb  Rb1  1  0.245  0.315  0.618  1.0
  Rb  Rb2  1  0.190  0.201  0.029  1.0
  Rb  Rb3  1  0.240  0.728  0.908  1.0
  Rb  Rb4  1  0.216  0.811  0.525  1.0
  Rb  Rb5  1  0.457  0.859  0.198  1.0
  Rb  Rb6  1  0.568  0.012  0.742  1.0
  Rb  Rb7  1  0.707  0.247  0.050  1.0
  Rb  Rb8  1  0.829  0.232  0.468  1.0
  Rb  Rb9  1  0.770  0.753  0.000  1.0
  Rb  Rb10  1  0.747  0.730  0.474  1.0
  Rb  Rb11  1  0.888  0.488  0.758  1.0
  Mg  Mg12  1  0.409  0.223  0.359  1.0
  Cl  Cl13  1  0.911  0.954  0.227  1.0
  Cl  Cl14  1  0.641  0.496  0.259  1.0
  Cl  Cl15  1  0.502  0.593  0.723  1.0
  Cl  Cl16  1  0.975  0.983  0.731  1.0
  O  O17  1  0.990  0.487  0.992  1.0
  O  O18  1  0.004  0.528  0.530  1.0
  O  O19  1  0.476  0.974  0.978  1.0
  O  O20  1  0.494  0.113  0.504  1.0
[/CIF]
.