The material described by Rb12Ca(OCl)4 crystallizes in the monoclinic Pm space group. There are eight inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a water-like geometry to one Cl(1) and one Cl(2) atom. In the second Rb site, Rb(2) is bonded in a 1-coordinate geometry to one O(1), one O(2), one Cl(1), 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(2), and one Cl(3) atom. In the fourth Rb site, Rb(4) is bonded in a distorted bent 150 degrees geometry to two equivalent O(2) and one Cl(1) atom. In the fifth Rb site, Rb(5) is bonded in a distorted T-shaped geometry to two equivalent O(2) and one Cl(3) atom. In the sixth Rb site, Rb(6) is bonded to one O(1), one O(2), one Cl(1), and one Cl(2) atom to form distorted RbCl2O2 trigonal pyramids that share  a cornercorner with one Ca(1)Cl2O2 tetrahedra and  an edgeedge with one Rb(6)Cl2O2 trigonal pyramid. In the seventh Rb site, Rb(7) is bonded in a distorted L-shaped geometry to one O(2) and one Cl(1) 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. Ca(1) is bonded to two equivalent O(1), one Cl(3), and one Cl(4) atom to form distorted CaCl2O2 tetrahedra that share corners with two equivalent Rb(6)Cl2O2 trigonal pyramids. 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 Ca(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 21-22°. 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 3-coordinate geometry to one Rb(1) and two equivalent Rb(6) atoms. In the third Cl site, Cl(3) is bonded in a 5-coordinate geometry to one Rb(5), one Rb(8), two equivalent Rb(3), and one Ca(1) atom. In the fourth Cl site, Cl(4) is bonded in a 4-coordinate geometry to one Rb(8), two equivalent Rb(2), and one Ca(1) atom. is represented by the CIF file [CIF]
data_Rb12Ca(ClO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.997
_cell_length_b   8.419
_cell_length_c   11.356
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   99.621
_symmetry_Int_Tables_number   1
_cell_volume   753.758
_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  0.098  0.500  0.250  1.0
  Rb  Rb1  1  0.244  0.165  0.487  1.0
  Rb  Rb2  1  0.244  0.165  0.013  1.0
  Rb  Rb3  1  0.289  0.691  0.950  1.0
  Rb  Rb4  1  0.289  0.691  0.550  1.0
  Rb  Rb5  1  0.452  0.956  0.250  1.0
  Rb  Rb6  1  0.563  0.046  0.750  1.0
  Rb  Rb7  1  0.735  0.302  0.031  1.0
  Rb  Rb8  1  0.735  0.302  0.469  1.0
  Rb  Rb9  1  0.772  0.845  0.051  1.0
  Rb  Rb10  1  0.772  0.845  0.449  1.0
  Rb  Rb11  1  0.855  0.600  0.750  1.0
  Ca  Ca12  1  0.103  0.321  0.750  1.0
  Cl  Cl13  1  0.929  0.130  0.250  1.0
  Cl  Cl14  1  0.507  0.506  0.250  1.0
  Cl  Cl15  1  0.459  0.413  0.750  1.0
  Cl  Cl16  1  0.049  0.981  0.750  1.0
  O  O17  1  0.025  0.426  0.906  1.0
  O  O18  1  0.025  0.426  0.594  1.0
  O  O19  1  0.511  0.995  1.000  1.0
  O  O20  1  0.511  0.995  0.500  1.0
[/CIF]
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The material described by Rb12Ca(OCl)4 crystallizes in the monoclinic Pm space group. There are eight inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a water-like geometry to one Cl(1) and one Cl(2) atom. In the second Rb site, Rb(2) is bonded in a 1-coordinate geometry to one O(1), one O(2), one Cl(1), 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(2), and one Cl(3) atom. In the fourth Rb site, Rb(4) is bonded in a distorted bent 150 degrees geometry to two equivalent O(2) and one Cl(1) atom. In the fifth Rb site, Rb(5) is bonded in a distorted T-shaped geometry to two equivalent O(2) and one Cl(3) atom. In the sixth Rb site, Rb(6) is bonded to one O(1), one O(2), one Cl(1), and one Cl(2) atom to form distorted RbCl2O2 trigonal pyramids that share  a cornercorner with one Ca(1)Cl2O2 tetrahedra and  an edgeedge with one Rb(6)Cl2O2 trigonal pyramid. In the seventh Rb site, Rb(7) is bonded in a distorted L-shaped geometry to one O(2) and one Cl(1) 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. Ca(1) is bonded to two equivalent O(1), one Cl(3), and one Cl(4) atom to form distorted CaCl2O2 tetrahedra that share corners with two equivalent Rb(6)Cl2O2 trigonal pyramids. 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 Ca(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 21-22°. 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 3-coordinate geometry to one Rb(1) and two equivalent Rb(6) atoms. In the third Cl site, Cl(3) is bonded in a 5-coordinate geometry to one Rb(5), one Rb(8), two equivalent Rb(3), and one Ca(1) atom. In the fourth Cl site, Cl(4) is bonded in a 4-coordinate geometry to one Rb(8), two equivalent Rb(2), and one Ca(1) atom. is represented by the CIF file [CIF]
data_Rb12Ca(ClO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.997
_cell_length_b   8.419
_cell_length_c   11.356
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   99.621
_symmetry_Int_Tables_number   1
_cell_volume   753.758
_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  0.098  0.500  0.250  1.0
  Rb  Rb1  1  0.244  0.165  0.487  1.0
  Rb  Rb2  1  0.244  0.165  0.013  1.0
  Rb  Rb3  1  0.289  0.691  0.950  1.0
  Rb  Rb4  1  0.289  0.691  0.550  1.0
  Rb  Rb5  1  0.452  0.956  0.250  1.0
  Rb  Rb6  1  0.563  0.046  0.750  1.0
  Rb  Rb7  1  0.735  0.302  0.031  1.0
  Rb  Rb8  1  0.735  0.302  0.469  1.0
  Rb  Rb9  1  0.772  0.845  0.051  1.0
  Rb  Rb10  1  0.772  0.845  0.449  1.0
  Rb  Rb11  1  0.855  0.600  0.750  1.0
  Ca  Ca12  1  0.103  0.321  0.750  1.0
  Cl  Cl13  1  0.929  0.130  0.250  1.0
  Cl  Cl14  1  0.507  0.506  0.250  1.0
  Cl  Cl15  1  0.459  0.413  0.750  1.0
  Cl  Cl16  1  0.049  0.981  0.750  1.0
  O  O17  1  0.025  0.426  0.906  1.0
  O  O18  1  0.025  0.426  0.594  1.0
  O  O19  1  0.511  0.995  1.000  1.0
  O  O20  1  0.511  0.995  0.500  1.0
[/CIF]
.