The compound described by K2BeZr6Cl15 crystallizes in the orthorhombic Cccm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted q6 geometry to two equivalent Cl(6), four equivalent Cl(3), and four equivalent Cl(5) atoms. In the second K site, K(2) is bonded to two equivalent Cl(2), two equivalent Cl(4), and four equivalent Cl(5) atoms to form distorted KCl8 hexagonal bipyramids that share corners with four equivalent Zr(2)BeCl5 octahedra, edges with two equivalent Zr(1)BeCl5 octahedra, and edges with four equivalent Zr(2)BeCl5 octahedra. The corner-sharing octahedral tilt angles are 41°. Be(1) is bonded in an octahedral geometry to two equivalent Zr(1) and four equivalent Zr(2) atoms. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one Be(1), one Cl(6), two equivalent Cl(3), and two equivalent Cl(5) atoms to form ZrBeCl5 octahedra that share corners with two equivalent Zr(1)BeCl5 octahedra,  an edgeedge with one K(2)Cl8 hexagonal bipyramid, and edges with four equivalent Zr(2)BeCl5 octahedra. The corner-sharing octahedra are not tilted. In the second Zr site, Zr(2) is bonded to one Be(1), one Cl(1), one Cl(2), one Cl(3), one Cl(4), and one Cl(5) atom to form ZrBeCl5 octahedra that share  a cornercorner with one K(2)Cl8 hexagonal bipyramid, corners with two equivalent Zr(2)BeCl5 octahedra,  an edgeedge with one K(2)Cl8 hexagonal bipyramid, edges with two equivalent Zr(1)BeCl5 octahedra, and edges with two equivalent Zr(2)BeCl5 octahedra. The corner-sharing octahedral tilt angles range from 0-47°. There are six inequivalent Cl sites. In the first Cl site, Cl(6) is bonded in a distorted square co-planar geometry to two equivalent K(1) and two equivalent Zr(1) atoms. In the second Cl site, Cl(1) is bonded in a bent 120 degrees geometry to two equivalent Zr(2) atoms. In the third Cl site, Cl(2) is bonded in a 3-coordinate geometry to one K(2) and two equivalent Zr(2) atoms. In the fourth Cl site, Cl(3) is bonded in a 3-coordinate geometry to one K(1), one Zr(1), and one Zr(2) atom. In the fifth Cl site, Cl(4) is bonded in a distorted trigonal non-coplanar geometry to one K(2) and two equivalent Zr(2) atoms. In the sixth Cl site, Cl(5) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Zr(1), and one Zr(2) atom. is represented by the CIF card [CIF]
data_K2Zr6BeCl15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.124
_cell_length_b   10.124
_cell_length_c   14.381
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   110.160
_symmetry_Int_Tables_number   1
_cell_volume   1383.753
_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
  K  K0  1  0.000  0.000  0.250  1.0
  K  K1  1  0.000  0.000  0.750  1.0
  K  K2  1  0.500  0.000  0.000  1.0
  K  K3  1  0.000  0.500  0.500  1.0
  Zr  Zr4  1  0.005  0.268  0.000  1.0
  Zr  Zr5  1  0.995  0.732  0.000  1.0
  Zr  Zr6  1  0.732  0.995  0.500  1.0
  Zr  Zr7  1  0.268  0.005  0.500  1.0
  Zr  Zr8  1  0.822  0.440  0.118  1.0
  Zr  Zr9  1  0.178  0.560  0.882  1.0
  Zr  Zr10  1  0.178  0.560  0.118  1.0
  Zr  Zr11  1  0.560  0.178  0.382  1.0
  Zr  Zr12  1  0.822  0.440  0.882  1.0
  Zr  Zr13  1  0.440  0.822  0.618  1.0
  Zr  Zr14  1  0.440  0.822  0.382  1.0
  Zr  Zr15  1  0.560  0.178  0.618  1.0
  Be  Be16  1  0.000  0.500  0.000  1.0
  Be  Be17  1  0.500  0.000  0.500  1.0
  Cl  Cl18  1  0.627  0.373  0.250  1.0
  Cl  Cl19  1  0.373  0.627  0.750  1.0
  Cl  Cl20  1  0.373  0.627  0.250  1.0
  Cl  Cl21  1  0.627  0.373  0.750  1.0
  Cl  Cl22  1  0.000  0.500  0.254  1.0
  Cl  Cl23  1  0.000  0.500  0.746  1.0
  Cl  Cl24  1  0.500  0.000  0.246  1.0
  Cl  Cl25  1  0.500  0.000  0.754  1.0
  Cl  Cl26  1  0.193  0.309  0.128  1.0
  Cl  Cl27  1  0.807  0.691  0.872  1.0
  Cl  Cl28  1  0.807  0.691  0.128  1.0
  Cl  Cl29  1  0.691  0.807  0.372  1.0
  Cl  Cl30  1  0.193  0.309  0.872  1.0
  Cl  Cl31  1  0.309  0.193  0.628  1.0
  Cl  Cl32  1  0.309  0.193  0.372  1.0
  Cl  Cl33  1  0.691  0.807  0.628  1.0
  Cl  Cl34  1  0.383  0.637  0.000  1.0
  Cl  Cl35  1  0.617  0.363  0.000  1.0
  Cl  Cl36  1  0.363  0.617  0.500  1.0
  Cl  Cl37  1  0.637  0.383  0.500  1.0
  Cl  Cl38  1  0.822  0.191  0.376  1.0
  Cl  Cl39  1  0.178  0.809  0.624  1.0
  Cl  Cl40  1  0.178  0.809  0.376  1.0
  Cl  Cl41  1  0.809  0.178  0.124  1.0
  Cl  Cl42  1  0.822  0.191  0.624  1.0
  Cl  Cl43  1  0.191  0.822  0.876  1.0
  Cl  Cl44  1  0.191  0.822  0.124  1.0
  Cl  Cl45  1  0.809  0.178  0.876  1.0
  Cl  Cl46  1  0.000  0.000  0.000  1.0
  Cl  Cl47  1  0.000  0.000  0.500  1.0
[/CIF]
.
The compound described by K2BeZr6Cl15 crystallizes in the orthorhombic Cccm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted q6 geometry to two equivalent Cl(6), four equivalent Cl(3), and four equivalent Cl(5) atoms. In the second K site, K(2) is bonded to two equivalent Cl(2), two equivalent Cl(4), and four equivalent Cl(5) atoms to form distorted KCl8 hexagonal bipyramids that share corners with four equivalent Zr(2)BeCl5 octahedra, edges with two equivalent Zr(1)BeCl5 octahedra, and edges with four equivalent Zr(2)BeCl5 octahedra. The corner-sharing octahedral tilt angles are 41°. Be(1) is bonded in an octahedral geometry to two equivalent Zr(1) and four equivalent Zr(2) atoms. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one Be(1), one Cl(6), two equivalent Cl(3), and two equivalent Cl(5) atoms to form ZrBeCl5 octahedra that share corners with two equivalent Zr(1)BeCl5 octahedra,  an edgeedge with one K(2)Cl8 hexagonal bipyramid, and edges with four equivalent Zr(2)BeCl5 octahedra. The corner-sharing octahedra are not tilted. In the second Zr site, Zr(2) is bonded to one Be(1), one Cl(1), one Cl(2), one Cl(3), one Cl(4), and one Cl(5) atom to form ZrBeCl5 octahedra that share  a cornercorner with one K(2)Cl8 hexagonal bipyramid, corners with two equivalent Zr(2)BeCl5 octahedra,  an edgeedge with one K(2)Cl8 hexagonal bipyramid, edges with two equivalent Zr(1)BeCl5 octahedra, and edges with two equivalent Zr(2)BeCl5 octahedra. The corner-sharing octahedral tilt angles range from 0-47°. There are six inequivalent Cl sites. In the first Cl site, Cl(6) is bonded in a distorted square co-planar geometry to two equivalent K(1) and two equivalent Zr(1) atoms. In the second Cl site, Cl(1) is bonded in a bent 120 degrees geometry to two equivalent Zr(2) atoms. In the third Cl site, Cl(2) is bonded in a 3-coordinate geometry to one K(2) and two equivalent Zr(2) atoms. In the fourth Cl site, Cl(3) is bonded in a 3-coordinate geometry to one K(1), one Zr(1), and one Zr(2) atom. In the fifth Cl site, Cl(4) is bonded in a distorted trigonal non-coplanar geometry to one K(2) and two equivalent Zr(2) atoms. In the sixth Cl site, Cl(5) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Zr(1), and one Zr(2) atom. is represented by the CIF card [CIF]
data_K2Zr6BeCl15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.124
_cell_length_b   10.124
_cell_length_c   14.381
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   110.160
_symmetry_Int_Tables_number   1
_cell_volume   1383.753
_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
  K  K0  1  0.000  0.000  0.250  1.0
  K  K1  1  0.000  0.000  0.750  1.0
  K  K2  1  0.500  0.000  0.000  1.0
  K  K3  1  0.000  0.500  0.500  1.0
  Zr  Zr4  1  0.005  0.268  0.000  1.0
  Zr  Zr5  1  0.995  0.732  0.000  1.0
  Zr  Zr6  1  0.732  0.995  0.500  1.0
  Zr  Zr7  1  0.268  0.005  0.500  1.0
  Zr  Zr8  1  0.822  0.440  0.118  1.0
  Zr  Zr9  1  0.178  0.560  0.882  1.0
  Zr  Zr10  1  0.178  0.560  0.118  1.0
  Zr  Zr11  1  0.560  0.178  0.382  1.0
  Zr  Zr12  1  0.822  0.440  0.882  1.0
  Zr  Zr13  1  0.440  0.822  0.618  1.0
  Zr  Zr14  1  0.440  0.822  0.382  1.0
  Zr  Zr15  1  0.560  0.178  0.618  1.0
  Be  Be16  1  0.000  0.500  0.000  1.0
  Be  Be17  1  0.500  0.000  0.500  1.0
  Cl  Cl18  1  0.627  0.373  0.250  1.0
  Cl  Cl19  1  0.373  0.627  0.750  1.0
  Cl  Cl20  1  0.373  0.627  0.250  1.0
  Cl  Cl21  1  0.627  0.373  0.750  1.0
  Cl  Cl22  1  0.000  0.500  0.254  1.0
  Cl  Cl23  1  0.000  0.500  0.746  1.0
  Cl  Cl24  1  0.500  0.000  0.246  1.0
  Cl  Cl25  1  0.500  0.000  0.754  1.0
  Cl  Cl26  1  0.193  0.309  0.128  1.0
  Cl  Cl27  1  0.807  0.691  0.872  1.0
  Cl  Cl28  1  0.807  0.691  0.128  1.0
  Cl  Cl29  1  0.691  0.807  0.372  1.0
  Cl  Cl30  1  0.193  0.309  0.872  1.0
  Cl  Cl31  1  0.309  0.193  0.628  1.0
  Cl  Cl32  1  0.309  0.193  0.372  1.0
  Cl  Cl33  1  0.691  0.807  0.628  1.0
  Cl  Cl34  1  0.383  0.637  0.000  1.0
  Cl  Cl35  1  0.617  0.363  0.000  1.0
  Cl  Cl36  1  0.363  0.617  0.500  1.0
  Cl  Cl37  1  0.637  0.383  0.500  1.0
  Cl  Cl38  1  0.822  0.191  0.376  1.0
  Cl  Cl39  1  0.178  0.809  0.624  1.0
  Cl  Cl40  1  0.178  0.809  0.376  1.0
  Cl  Cl41  1  0.809  0.178  0.124  1.0
  Cl  Cl42  1  0.822  0.191  0.624  1.0
  Cl  Cl43  1  0.191  0.822  0.876  1.0
  Cl  Cl44  1  0.191  0.822  0.124  1.0
  Cl  Cl45  1  0.809  0.178  0.876  1.0
  Cl  Cl46  1  0.000  0.000  0.000  1.0
  Cl  Cl47  1  0.000  0.000  0.500  1.0
[/CIF]
.