The structure described by Zr6Cl14C crystallizes in the orthorhombic Cmce space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one C(1), one Cl(2), two equivalent Cl(4), and two equivalent Cl(5) atoms to form a mixture of distorted edge and corner-sharing ZrCCl5 octahedra. The corner-sharing octahedral tilt angles range from 0-45°. In the second Zr site, Zr(2) is bonded to one C(1), one Cl(1), one Cl(2), one Cl(3), one Cl(4), and one Cl(5) atom to form a mixture of edge and corner-sharing ZrCCl5 octahedra. The corner-sharing octahedral tilt angles range from 0-46°. C(1) is bonded in an octahedral geometry to two equivalent Zr(1) and four equivalent Zr(2) atoms. There are five inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a 3-coordinate geometry to one Zr(1) and two equivalent Zr(2) atoms. In the second Cl site, Cl(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Zr(2) atoms. In the third Cl site, Cl(4) is bonded in an L-shaped geometry to one Zr(1) and one Zr(2) atom. In the fourth Cl site, Cl(5) is bonded in an L-shaped geometry to one Zr(1) and one Zr(2) atom. In the fifth Cl site, Cl(1) is bonded in an L-shaped geometry to two equivalent Zr(2) atoms. is represented by the CIF file [CIF]
data_Zr6CCl14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.539
_cell_length_b   9.539
_cell_length_c   11.552
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   95.975
_symmetry_Int_Tables_number   1
_cell_volume   1045.532
_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
  Zr  Zr0  1  0.646  0.646  0.106  1.0
  Zr  Zr1  1  0.854  0.854  0.606  1.0
  Zr  Zr2  1  0.146  0.146  0.394  1.0
  Zr  Zr3  1  0.354  0.354  0.894  1.0
  Zr  Zr4  1  0.454  0.685  0.883  1.0
  Zr  Zr5  1  0.046  0.815  0.383  1.0
  Zr  Zr6  1  0.185  0.954  0.617  1.0
  Zr  Zr7  1  0.315  0.546  0.117  1.0
  Zr  Zr8  1  0.546  0.315  0.117  1.0
  Zr  Zr9  1  0.954  0.185  0.617  1.0
  Zr  Zr10  1  0.815  0.046  0.383  1.0
  Zr  Zr11  1  0.685  0.454  0.883  1.0
  C  C12  1  0.500  0.500  0.000  1.0
  C  C13  1  0.000  0.000  0.500  1.0
  Cl  Cl14  1  0.250  0.750  0.500  1.0
  Cl  Cl15  1  0.250  0.750  0.000  1.0
  Cl  Cl16  1  0.750  0.250  0.500  1.0
  Cl  Cl17  1  0.750  0.250  0.000  1.0
  Cl  Cl18  1  0.842  0.842  0.237  1.0
  Cl  Cl19  1  0.658  0.658  0.737  1.0
  Cl  Cl20  1  0.342  0.342  0.263  1.0
  Cl  Cl21  1  0.158  0.158  0.763  1.0
  Cl  Cl22  1  0.599  0.099  0.250  1.0
  Cl  Cl23  1  0.901  0.401  0.750  1.0
  Cl  Cl24  1  0.965  0.212  0.250  1.0
  Cl  Cl25  1  0.535  0.288  0.750  1.0
  Cl  Cl26  1  0.712  0.465  0.250  1.0
  Cl  Cl27  1  0.788  0.035  0.750  1.0
  Cl  Cl28  1  0.035  0.788  0.750  1.0
  Cl  Cl29  1  0.465  0.712  0.250  1.0
  Cl  Cl30  1  0.288  0.535  0.750  1.0
  Cl  Cl31  1  0.212  0.965  0.250  1.0
  Cl  Cl32  1  0.134  0.384  0.009  1.0
  Cl  Cl33  1  0.366  0.116  0.509  1.0
  Cl  Cl34  1  0.884  0.634  0.491  1.0
  Cl  Cl35  1  0.616  0.866  0.991  1.0
  Cl  Cl36  1  0.866  0.616  0.991  1.0
  Cl  Cl37  1  0.634  0.884  0.491  1.0
  Cl  Cl38  1  0.116  0.366  0.509  1.0
  Cl  Cl39  1  0.384  0.134  0.009  1.0
  Cl  Cl40  1  0.099  0.599  0.250  1.0
  Cl  Cl41  1  0.401  0.901  0.750  1.0
[/CIF]
.
The structure described by Zr6Cl14C crystallizes in the orthorhombic Cmce space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one C(1), one Cl(2), two equivalent Cl(4), and two equivalent Cl(5) atoms to form a mixture of distorted edge and corner-sharing ZrCCl5 octahedra. The corner-sharing octahedral tilt angles range from 0-45°. In the second Zr site, Zr(2) is bonded to one C(1), one Cl(1), one Cl(2), one Cl(3), one Cl(4), and one Cl(5) atom to form a mixture of edge and corner-sharing ZrCCl5 octahedra. The corner-sharing octahedral tilt angles range from 0-46°. C(1) is bonded in an octahedral geometry to two equivalent Zr(1) and four equivalent Zr(2) atoms. There are five inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a 3-coordinate geometry to one Zr(1) and two equivalent Zr(2) atoms. In the second Cl site, Cl(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Zr(2) atoms. In the third Cl site, Cl(4) is bonded in an L-shaped geometry to one Zr(1) and one Zr(2) atom. In the fourth Cl site, Cl(5) is bonded in an L-shaped geometry to one Zr(1) and one Zr(2) atom. In the fifth Cl site, Cl(1) is bonded in an L-shaped geometry to two equivalent Zr(2) atoms. is represented by the CIF file [CIF]
data_Zr6CCl14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.539
_cell_length_b   9.539
_cell_length_c   11.552
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   95.975
_symmetry_Int_Tables_number   1
_cell_volume   1045.532
_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
  Zr  Zr0  1  0.646  0.646  0.106  1.0
  Zr  Zr1  1  0.854  0.854  0.606  1.0
  Zr  Zr2  1  0.146  0.146  0.394  1.0
  Zr  Zr3  1  0.354  0.354  0.894  1.0
  Zr  Zr4  1  0.454  0.685  0.883  1.0
  Zr  Zr5  1  0.046  0.815  0.383  1.0
  Zr  Zr6  1  0.185  0.954  0.617  1.0
  Zr  Zr7  1  0.315  0.546  0.117  1.0
  Zr  Zr8  1  0.546  0.315  0.117  1.0
  Zr  Zr9  1  0.954  0.185  0.617  1.0
  Zr  Zr10  1  0.815  0.046  0.383  1.0
  Zr  Zr11  1  0.685  0.454  0.883  1.0
  C  C12  1  0.500  0.500  0.000  1.0
  C  C13  1  0.000  0.000  0.500  1.0
  Cl  Cl14  1  0.250  0.750  0.500  1.0
  Cl  Cl15  1  0.250  0.750  0.000  1.0
  Cl  Cl16  1  0.750  0.250  0.500  1.0
  Cl  Cl17  1  0.750  0.250  0.000  1.0
  Cl  Cl18  1  0.842  0.842  0.237  1.0
  Cl  Cl19  1  0.658  0.658  0.737  1.0
  Cl  Cl20  1  0.342  0.342  0.263  1.0
  Cl  Cl21  1  0.158  0.158  0.763  1.0
  Cl  Cl22  1  0.599  0.099  0.250  1.0
  Cl  Cl23  1  0.901  0.401  0.750  1.0
  Cl  Cl24  1  0.965  0.212  0.250  1.0
  Cl  Cl25  1  0.535  0.288  0.750  1.0
  Cl  Cl26  1  0.712  0.465  0.250  1.0
  Cl  Cl27  1  0.788  0.035  0.750  1.0
  Cl  Cl28  1  0.035  0.788  0.750  1.0
  Cl  Cl29  1  0.465  0.712  0.250  1.0
  Cl  Cl30  1  0.288  0.535  0.750  1.0
  Cl  Cl31  1  0.212  0.965  0.250  1.0
  Cl  Cl32  1  0.134  0.384  0.009  1.0
  Cl  Cl33  1  0.366  0.116  0.509  1.0
  Cl  Cl34  1  0.884  0.634  0.491  1.0
  Cl  Cl35  1  0.616  0.866  0.991  1.0
  Cl  Cl36  1  0.866  0.616  0.991  1.0
  Cl  Cl37  1  0.634  0.884  0.491  1.0
  Cl  Cl38  1  0.116  0.366  0.509  1.0
  Cl  Cl39  1  0.384  0.134  0.009  1.0
  Cl  Cl40  1  0.099  0.599  0.250  1.0
  Cl  Cl41  1  0.401  0.901  0.750  1.0
[/CIF]
.