The compound described by Rb3BeZr6Cl15 crystallizes in the monoclinic C2/c space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 10-coordinate geometry to two equivalent Cl(1), two equivalent Cl(3), two equivalent Cl(6), two equivalent Cl(7), and two equivalent Cl(8) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to one Cl(1), one Cl(2), one Cl(3), one Cl(4), one Cl(5), one Cl(6), one Cl(7), and one Cl(8) atom. Be(1) is bonded to two equivalent Zr(1), two equivalent Zr(2), and two equivalent Zr(3) atoms to form BeZr6 octahedra that share corners with two equivalent Cl(8)Rb4Zr2 octahedra and edges with two equivalent Cl(3)Rb2Zr2 trigonal pyramids. The corner-sharing octahedral tilt angles are 1°. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one Be(1), one Cl(1), one Cl(2), one Cl(4), one Cl(5), and one Cl(6) atom to form a mixture of corner and edge-sharing ZrBeCl5 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. In the second Zr site, Zr(2) is bonded to one Be(1), one Cl(1), one Cl(3), one Cl(6), one Cl(7), and one Cl(8) atom to form a mixture of corner and edge-sharing ZrBeCl5 octahedra. The corner-sharing octahedra are not tilted. In the third Zr site, Zr(3) is bonded to one Be(1), one Cl(2), one Cl(3), one Cl(4), one Cl(5), and one Cl(7) atom to form a mixture of corner and edge-sharing ZrBeCl5 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. There are eight inequivalent Cl sites. In the first Cl site, Cl(7) is bonded in a distorted rectangular see-saw-like geometry to one Rb(1), one Rb(2), one Zr(2), and one Zr(3) atom. In the second Cl site, Cl(8) is bonded to two equivalent Rb(1), two equivalent Rb(2), and two equivalent Zr(2) atoms to form distorted ClRb4Zr2 octahedra that share corners with two equivalent Be(1)Zr6 octahedra, corners with two equivalent Cl(8)Rb4Zr2 octahedra, corners with two equivalent Cl(3)Rb2Zr2 trigonal pyramids, and faces with two equivalent Cl(3)Rb2Zr2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 1-23°. In the third Cl site, Cl(1) is bonded in a 4-coordinate geometry to one Rb(1), one Rb(2), one Zr(1), and one Zr(2) atom. In the fourth Cl site, Cl(2) is bonded in a distorted trigonal non-coplanar geometry to one Rb(2), one Zr(1), and one Zr(3) atom. In the fifth Cl site, Cl(3) is bonded to one Rb(1), one Rb(2), one Zr(2), and one Zr(3) atom to form distorted ClRb2Zr2 trigonal pyramids that share  a cornercorner with one Cl(8)Rb4Zr2 octahedra,  a cornercorner with one Cl(3)Rb2Zr2 trigonal pyramid,  an edgeedge with one Be(1)Zr6 octahedra, and  a faceface with one Cl(8)Rb4Zr2 octahedra. The corner-sharing octahedral tilt angles are 40°. In the sixth Cl site, Cl(4) is bonded in a 3-coordinate geometry to one Rb(2), one Zr(1), and one Zr(3) atom. In the seventh Cl site, Cl(5) is bonded in a distorted T-shaped geometry to one Rb(2), one Zr(1), and one Zr(3) atom. In the eighth Cl site, Cl(6) is bonded in a distorted rectangular see-saw-like geometry to one Rb(1), one Rb(2), one Zr(1), and one Zr(2) atom. is represented by the CIF file [CIF]
data_Rb3Zr6BeCl15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.235
_cell_length_b   10.235
_cell_length_c   14.379
_cell_angle_alpha   87.540
_cell_angle_beta   87.540
_cell_angle_gamma   69.603
_symmetry_Int_Tables_number   1
_cell_volume   1409.991
_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  0.939  0.061  0.250  1.0
  Rb  Rb1  1  0.061  0.939  0.750  1.0
  Rb  Rb2  1  0.641  0.130  0.566  1.0
  Rb  Rb3  1  0.359  0.870  0.434  1.0
  Rb  Rb4  1  0.870  0.359  0.934  1.0
  Rb  Rb5  1  0.130  0.641  0.066  1.0
  Zr  Zr6  1  0.546  0.850  0.134  1.0
  Zr  Zr7  1  0.454  0.150  0.866  1.0
  Zr  Zr8  1  0.150  0.454  0.366  1.0
  Zr  Zr9  1  0.850  0.546  0.634  1.0
  Zr  Zr10  1  0.272  0.999  0.001  1.0
  Zr  Zr11  1  0.728  0.001  0.999  1.0
  Zr  Zr12  1  0.001  0.728  0.499  1.0
  Zr  Zr13  1  0.999  0.272  0.501  1.0
  Zr  Zr14  1  0.426  0.196  0.097  1.0
  Zr  Zr15  1  0.574  0.804  0.903  1.0
  Zr  Zr16  1  0.804  0.574  0.403  1.0
  Zr  Zr17  1  0.196  0.426  0.597  1.0
  Be  Be18  1  0.500  0.000  0.000  1.0
  Be  Be19  1  0.000  0.500  0.500  1.0
  Cl  Cl20  1  0.293  0.844  0.151  1.0
  Cl  Cl21  1  0.707  0.156  0.849  1.0
  Cl  Cl22  1  0.156  0.707  0.349  1.0
  Cl  Cl23  1  0.844  0.293  0.651  1.0
  Cl  Cl24  1  0.583  0.671  0.288  1.0
  Cl  Cl25  1  0.417  0.329  0.712  1.0
  Cl  Cl26  1  0.329  0.417  0.212  1.0
  Cl  Cl27  1  0.671  0.583  0.788  1.0
  Cl  Cl28  1  0.673  0.219  0.101  1.0
  Cl  Cl29  1  0.327  0.781  0.899  1.0
  Cl  Cl30  1  0.781  0.327  0.399  1.0
  Cl  Cl31  1  0.219  0.673  0.601  1.0
  Cl  Cl32  1  0.481  0.048  0.250  1.0
  Cl  Cl33  1  0.519  0.952  0.750  1.0
  Cl  Cl34  1  0.952  0.519  0.250  1.0
  Cl  Cl35  1  0.048  0.481  0.750  1.0
  Cl  Cl36  1  0.622  0.630  0.541  1.0
  Cl  Cl37  1  0.378  0.370  0.459  1.0
  Cl  Cl38  1  0.370  0.378  0.959  1.0
  Cl  Cl39  1  0.630  0.622  0.041  1.0
  Cl  Cl40  1  0.803  0.842  0.145  1.0
  Cl  Cl41  1  0.197  0.158  0.855  1.0
  Cl  Cl42  1  0.158  0.197  0.355  1.0
  Cl  Cl43  1  0.842  0.803  0.645  1.0
  Cl  Cl44  1  0.783  0.837  0.399  1.0
  Cl  Cl45  1  0.217  0.163  0.601  1.0
  Cl  Cl46  1  0.163  0.217  0.101  1.0
  Cl  Cl47  1  0.837  0.783  0.899  1.0
  Cl  Cl48  1  0.000  0.000  0.000  1.0
  Cl  Cl49  1  0.000  0.000  0.500  1.0
[/CIF]
.
The compound described by Rb3BeZr6Cl15 crystallizes in the monoclinic C2/c space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 10-coordinate geometry to two equivalent Cl(1), two equivalent Cl(3), two equivalent Cl(6), two equivalent Cl(7), and two equivalent Cl(8) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to one Cl(1), one Cl(2), one Cl(3), one Cl(4), one Cl(5), one Cl(6), one Cl(7), and one Cl(8) atom. Be(1) is bonded to two equivalent Zr(1), two equivalent Zr(2), and two equivalent Zr(3) atoms to form BeZr6 octahedra that share corners with two equivalent Cl(8)Rb4Zr2 octahedra and edges with two equivalent Cl(3)Rb2Zr2 trigonal pyramids. The corner-sharing octahedral tilt angles are 1°. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one Be(1), one Cl(1), one Cl(2), one Cl(4), one Cl(5), and one Cl(6) atom to form a mixture of corner and edge-sharing ZrBeCl5 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. In the second Zr site, Zr(2) is bonded to one Be(1), one Cl(1), one Cl(3), one Cl(6), one Cl(7), and one Cl(8) atom to form a mixture of corner and edge-sharing ZrBeCl5 octahedra. The corner-sharing octahedra are not tilted. In the third Zr site, Zr(3) is bonded to one Be(1), one Cl(2), one Cl(3), one Cl(4), one Cl(5), and one Cl(7) atom to form a mixture of corner and edge-sharing ZrBeCl5 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. There are eight inequivalent Cl sites. In the first Cl site, Cl(7) is bonded in a distorted rectangular see-saw-like geometry to one Rb(1), one Rb(2), one Zr(2), and one Zr(3) atom. In the second Cl site, Cl(8) is bonded to two equivalent Rb(1), two equivalent Rb(2), and two equivalent Zr(2) atoms to form distorted ClRb4Zr2 octahedra that share corners with two equivalent Be(1)Zr6 octahedra, corners with two equivalent Cl(8)Rb4Zr2 octahedra, corners with two equivalent Cl(3)Rb2Zr2 trigonal pyramids, and faces with two equivalent Cl(3)Rb2Zr2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 1-23°. In the third Cl site, Cl(1) is bonded in a 4-coordinate geometry to one Rb(1), one Rb(2), one Zr(1), and one Zr(2) atom. In the fourth Cl site, Cl(2) is bonded in a distorted trigonal non-coplanar geometry to one Rb(2), one Zr(1), and one Zr(3) atom. In the fifth Cl site, Cl(3) is bonded to one Rb(1), one Rb(2), one Zr(2), and one Zr(3) atom to form distorted ClRb2Zr2 trigonal pyramids that share  a cornercorner with one Cl(8)Rb4Zr2 octahedra,  a cornercorner with one Cl(3)Rb2Zr2 trigonal pyramid,  an edgeedge with one Be(1)Zr6 octahedra, and  a faceface with one Cl(8)Rb4Zr2 octahedra. The corner-sharing octahedral tilt angles are 40°. In the sixth Cl site, Cl(4) is bonded in a 3-coordinate geometry to one Rb(2), one Zr(1), and one Zr(3) atom. In the seventh Cl site, Cl(5) is bonded in a distorted T-shaped geometry to one Rb(2), one Zr(1), and one Zr(3) atom. In the eighth Cl site, Cl(6) is bonded in a distorted rectangular see-saw-like geometry to one Rb(1), one Rb(2), one Zr(1), and one Zr(2) atom. is represented by the CIF file [CIF]
data_Rb3Zr6BeCl15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.235
_cell_length_b   10.235
_cell_length_c   14.379
_cell_angle_alpha   87.540
_cell_angle_beta   87.540
_cell_angle_gamma   69.603
_symmetry_Int_Tables_number   1
_cell_volume   1409.991
_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  0.939  0.061  0.250  1.0
  Rb  Rb1  1  0.061  0.939  0.750  1.0
  Rb  Rb2  1  0.641  0.130  0.566  1.0
  Rb  Rb3  1  0.359  0.870  0.434  1.0
  Rb  Rb4  1  0.870  0.359  0.934  1.0
  Rb  Rb5  1  0.130  0.641  0.066  1.0
  Zr  Zr6  1  0.546  0.850  0.134  1.0
  Zr  Zr7  1  0.454  0.150  0.866  1.0
  Zr  Zr8  1  0.150  0.454  0.366  1.0
  Zr  Zr9  1  0.850  0.546  0.634  1.0
  Zr  Zr10  1  0.272  0.999  0.001  1.0
  Zr  Zr11  1  0.728  0.001  0.999  1.0
  Zr  Zr12  1  0.001  0.728  0.499  1.0
  Zr  Zr13  1  0.999  0.272  0.501  1.0
  Zr  Zr14  1  0.426  0.196  0.097  1.0
  Zr  Zr15  1  0.574  0.804  0.903  1.0
  Zr  Zr16  1  0.804  0.574  0.403  1.0
  Zr  Zr17  1  0.196  0.426  0.597  1.0
  Be  Be18  1  0.500  0.000  0.000  1.0
  Be  Be19  1  0.000  0.500  0.500  1.0
  Cl  Cl20  1  0.293  0.844  0.151  1.0
  Cl  Cl21  1  0.707  0.156  0.849  1.0
  Cl  Cl22  1  0.156  0.707  0.349  1.0
  Cl  Cl23  1  0.844  0.293  0.651  1.0
  Cl  Cl24  1  0.583  0.671  0.288  1.0
  Cl  Cl25  1  0.417  0.329  0.712  1.0
  Cl  Cl26  1  0.329  0.417  0.212  1.0
  Cl  Cl27  1  0.671  0.583  0.788  1.0
  Cl  Cl28  1  0.673  0.219  0.101  1.0
  Cl  Cl29  1  0.327  0.781  0.899  1.0
  Cl  Cl30  1  0.781  0.327  0.399  1.0
  Cl  Cl31  1  0.219  0.673  0.601  1.0
  Cl  Cl32  1  0.481  0.048  0.250  1.0
  Cl  Cl33  1  0.519  0.952  0.750  1.0
  Cl  Cl34  1  0.952  0.519  0.250  1.0
  Cl  Cl35  1  0.048  0.481  0.750  1.0
  Cl  Cl36  1  0.622  0.630  0.541  1.0
  Cl  Cl37  1  0.378  0.370  0.459  1.0
  Cl  Cl38  1  0.370  0.378  0.959  1.0
  Cl  Cl39  1  0.630  0.622  0.041  1.0
  Cl  Cl40  1  0.803  0.842  0.145  1.0
  Cl  Cl41  1  0.197  0.158  0.855  1.0
  Cl  Cl42  1  0.158  0.197  0.355  1.0
  Cl  Cl43  1  0.842  0.803  0.645  1.0
  Cl  Cl44  1  0.783  0.837  0.399  1.0
  Cl  Cl45  1  0.217  0.163  0.601  1.0
  Cl  Cl46  1  0.163  0.217  0.101  1.0
  Cl  Cl47  1  0.837  0.783  0.899  1.0
  Cl  Cl48  1  0.000  0.000  0.000  1.0
  Cl  Cl49  1  0.000  0.000  0.500  1.0
[/CIF]
.