#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/43/2014319.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2014319
loop_
_publ_author_name
'Rohm, Henning W.'
'Köckerling, Martin'
_publ_section_title
;
 Cation distribution in the zirconium chloride cluster phase
 Cs[(Zr₆C)Cl₁₅]
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i19
_journal_page_last               i20
_journal_paper_doi               10.1107/S0108270105043076
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          'Cs [Zr6 C Cl15]'
_chemical_formula_moiety         'Cs Zr6 C Cl15'
_chemical_formula_sum            'C Cl15 Cs Zr6'
_chemical_formula_weight         1223.99
_chemical_name_systematic
;
Poly[caesium
[[μ₄-carbido-dodecakis-μ₂-chloro-hexazirconium]-tri-μ₂-chloro]]
;
_space_group_IT_number           51
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2a 2a'
_symmetry_space_group_name_H-M   'P m m a'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.513(2)
_cell_length_b                   13.9160(10)
_cell_length_c                   9.6383(7)
_cell_measurement_reflns_used    42
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      19.92
_cell_measurement_theta_min      2.93
_cell_volume                     2483.1(4)
_computing_cell_refinement       XSCANS
_computing_data_collection       'XSCANS (Siemens, 1994)'
_computing_data_reduction        XSCANS
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1998 or? 2001)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Siemens P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0330
_diffrn_reflns_av_sigmaI/netI    0.0245
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       1
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       1
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            4087
_diffrn_reflns_theta_full        27.99
_diffrn_reflns_theta_max         27.99
_diffrn_reflns_theta_min         2.11
_diffrn_standards_decay_%        0.0
_diffrn_standards_interval_count 98
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    5.474
_exptl_absorpt_correction_T_max  0.112
_exptl_absorpt_correction_T_min  0.047
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(Farrugia, 1999)'
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    3.274
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregular block'
_exptl_crystal_F_000             2224
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.43
_exptl_crystal_size_min          0.40
_refine_diff_density_max         1.995
_refine_diff_density_min         -1.619
_refine_ls_extinction_coef       0.00071(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_matrix_type           full
_refine_ls_number_parameters     141
_refine_ls_number_reflns         3223
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0583
_refine_ls_R_factor_gt           0.0455
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0687P)²+15.1304P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1170
_refine_ls_wR_factor_ref         0.1275
_reflns_number_gt                2627
_reflns_number_total             3223
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            fa1155.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (54 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (54
times).

'_geom_angle_publ_flag' value 'Yes' changed to 'yes'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (3
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (174 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2014319
_cod_database_fobs_code          2014319
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z'
'-x, y, -z'
'x+1/2, -y, -z'
'-x, -y, -z'
'x-1/2, y, -z'
'x, -y, z'
'-x-1/2, y, z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Cs1 0.2500 0.5000 1.0340(10) 0.060(2) Uani d SP 0.66(7) . . Cs
Cs2 0.2500 0.5000 1.071(5) 0.044(5) Uani d SP 0.34(7) . . Cs
Cs3 0.2500 0.2513(5) 0.6600(7) 0.0250(10) Uani d SP 0.08 . . Cs
Cs4 0.0120(10) 0.0000 0.534(4) 0.06(2) Uani d SP 0.27(3) . . Cs
Cs5 -0.037(2) 0.0000 0.405(4) 0.038(3) Uani d SP 0.15(3) . . Cs
Zr1 0.47113(3) 0.38426(4) 0.34092(6) 0.0168(2) Uani d . 1 . . Zr
Zr2 0.61535(4) 0.5000 0.42067(9) 0.0164(2) Uani d S 1 . . Zr
Zr3 0.33744(3) 0.11620(4) 0.14316(6) 0.0161(2) Uani d . 1 . . Zr
Zr4 0.2500 0.0000 0.37550(10) 0.0142(2) Uani d S 1 . . Zr
Zr5 0.2500 0.0000 0.90880(10) 0.0168(2) Uani d S 1 . . Zr
Cl1 0.43813(9) 0.25120(10) 0.1532(2) 0.0289(4) Uani d . 1 . . Cl
Cl2 0.2500 0.0000 0.6421(3) 0.0415(9) Uani d S 1 . . Cl
Cl3 0.7500 0.5000 0.3207(3) 0.0257(6) Uani d S 1 . . Cl
Cl4 0.5000 0.2457(2) 0.5000 0.0262(5) Uani d S 1 . . Cl
Cl5 0.43670(10) 0.5000 0.1488(2) 0.0252(4) Uani d S 1 . . Cl
Cl6 0.59655(8) 0.37240(10) 0.2367(2) 0.0268(3) Uani d . 1 . . Cl
Cl7 0.34025(7) 0.37480(10) 0.4114(2) 0.0243(3) Uani d . 1 . . Cl
Cl8 0.2500 0.2560(2) 0.1398(3) 0.0254(5) Uani d S 1 . . Cl
Cl9 0.44260(10) 0.0000 0.1452(3) 0.0309(5) Uani d S 1 . . Cl
Cl10 0.34499(8) 0.12760(10) 0.40434(16) 0.0244(3) Uani d . 1 . . Cl
Cl11 0.15255(9) 0.12710(10) 0.8832(2) 0.0283(3) Uani d . 1 . . Cl
C1 0.5000 0.5000 0.5000 0.009(2) Uiso d S 1 . . C
C2 0.2500 0.0000 0.1400(10) 0.011(2) Uiso d S 1 . . C
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zr Zr -2.9673 0.5597 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Zr2 Cl3 Zr2 2_665 . 137.70(10) yes
Zr1 Cl1 Zr3 . . 132.84(6) yes
Zr4 Cl2 Zr5 . . 180.0 yes
Cl5 Zr1 Cl1 . . 83.54(5) n
Cl5 Zr1 Cl6 . . 88.99(7) n
Cl5 Zr1 Zr1 . 7_565 50.56(3) n
Cl5 Zr1 Zr2 . . 93.74(5) n
C1 Zr1 Zr1 . 3_656 44.767(15) n
C1 Zr1 Zr2 . 5_666 44.593(15) n
Cl1 Zr1 Zr1 . 7_565 134.10(4) n
Cl1 Zr1 Zr2 . . 134.65(4) n
C1 Zr1 Cl1 . . 179.22(5) n
C1 Zr1 Cl5 . . 95.79(4) n
C1 Zr1 Cl6 . . 95.60(4) n
C1 Zr1 Cl7 . . 94.64(4) n
Cl4 Zr1 Cl1 . . 86.01(5) n
Cl4 Zr1 Cl5 . . 169.55(5) n
Cl4 Zr1 Cl6 . . 89.82(4) n
Cl4 Zr1 Zr1 . 7_565 139.89(3) n
Cl4 Zr1 Zr2 . . 93.54(3) n
Cl6 Zr1 Cl1 . . 83.99(5) n
Cl6 Zr1 Zr1 . 7_565 93.74(4) n
Cl6 Zr1 Zr2 . . 50.67(4) n
Cl6 Zr2 Cl3 7_565 . 82.86(6) n
Cl6 Zr2 Cl6 . 7_565 89.01(8) n
Cl6 Zr2 Zr1 . . 50.71(4) n
Cl3 Zr2 Zr1 . 7_565 133.56(6) n
C1 Zr2 Cl3 . . 178.56(8) n
C1 Zr2 Cl6 . . 96.12(4) n
C1 Zr2 Cl7 . 5_666 95.20(4) n
C1 Zr2 Zr1 . . 45.410(16) n
C2 Zr3 Cl1 . . 178.7(3) n
C2 Zr3 Cl10 . . 95.6(3) n
C2 Zr3 Cl11 . 8_654 94.6(3) n
C2 Zr3 Cl8 . . 95.19(4) n
C2 Zr3 Cl9 . . 95.32(4) n
C2 Zr3 Zr3 . 8_655 44.977(15) n
C2 Zr3 Zr4 . . 45.2(3) n
C2 Zr3 Zr5 . 1_554 43.8(3) n
C2 Zr4 Cl10 . . 96.35(4) n
C2 Zr4 Cs3 . . 128.10(9) n
C2 Zr4 Zr3 . 2 45.618(17) n
C2 Zr5 Cl11 1_556 7 95.57(4) n
C2 Zr5 Cs3 1_556 . 124.43(10) n
C2 Zr5 Zr3 1_556 1_556 45.364(17) n
Cl1 Zr3 Zr3 . 8_655 134.73(4) n
Cl1 Zr3 Zr4 . . 133.54(4) n
Cl1 Zr3 Zr5 . 1_554 137.44(4) n
Cl2 Zr4 Zr3 . . 134.382(17) n
Cl2 Zr5 Zr3 . 1_556 134.636(17) n
Cl3 Cs1 Cl5 5_666 2_566 107.8(2) n
Cl3 Cs1 Cl8 5_666 2_566 106.8(2) n
Cl3 Cs2 Cl7 5_666 7_566 143.7(4) n
Cl3 Cs3 Cl10 5_666 . 122.11(18) n
Cl3 Cs3 Cl2 5_666 . 179.8(2) n
Cl3 Cs3 Zr5 5_666 . 142.5(2) n
Cl4 Cs4 Cl10 6_556 4_456 116.6(6) n
Cl4 Cs4 Cl4 2 6_556 166.9(14) n
Cl4 Cs4 Cl9 2 2 85.5(6) n
Cl4 Cs5 Cl10 6_556 8_655 53.6(3) n
Cl4 Cs5 Cl11 2 3_556 135.2(9) n
Cl4 Cs5 Cl2 2 5_556 102.6(4) n
Cl4 Cs5 Cl4 6_556 2 143.1(13) n
Cl5 Cs1 Cl5 1_556 2_566 144.4(4) n
Cl5 Cs2 Cl3 1_556 5_666 102.3(8) n
Cl5 Cs2 Cl5 1_556 2_566 155.4(16) n
Cl5 Cs2 Cl7 1_556 2_566 103.2(10) n
Cl6 Cs3 Cl10 3_656 8_655 149.48(18) n
Cl6 Cs3 Cl2 3_656 . 120.13(12) n
Cl6 Cs3 Cl3 3_656 5_666 59.79(11) n
Cl6 Cs3 Cl6 3_656 6_556 110.9(2) n
Cl7 Cs2 Cl7 7_566 2_566 48.4(5) n
Cl7 Cs3 Cl10 . . 60.09(10) n
Cl7 Cs3 Cl2 . . 118.12(19) n
Cl7 Cs3 Cl3 . 5_666 62.08(12) n
Cl7 Cs3 Cl6 . 6_556 111.25(18) n
Cl7 Cs3 Cl7 . 8_655 59.07(13) n
Cl7 Zr1 Cl1 . . 85.76(5) n
Cl7 Zr1 Cl4 . . 90.00(4) n
Cl7 Zr1 Cl5 . . 89.33(7) n
Cl7 Zr1 Cl6 . . 169.74(6) n
Cl7 Zr1 Zr1 . 7_565 93.00(4) n
Cl7 Zr1 Zr2 . . 139.57(4) n
Cl7 Zr2 Cl3 5_666 . 85.83(6) n
Cl7 Zr2 Cl6 5_666 . 168.65(6) n
Cl7 Zr2 Cl7 5_666 3_656 87.64(8) n
Cl7 Zr2 Zr1 5_666 . 140.61(4) n
Cl10 Cs5 Cl2 6_556 5_556 54.3(3) n
Cl8 Cs1 Cl5 2_566 1_556 84.94(11) n
Cl8 Cs1 Cl8 2_566 1_556 146.5(4) n
Cl8 Cs2 Cl3 2_566 5_666 101.1(8) n
Cl8 Cs2 Cl5 2_566 1_556 87.7(3) n
Cl8 Cs2 Cl7 2_566 7_566 54.9(5) n
Cl8 Cs2 Cl8 2_566 1_556 157.8(16) n
Cl8 Zr3 Cl1 . . 84.57(5) n
Cl8 Zr3 Zr3 . 7 140.22(3) n
Cl8 Zr3 Zr4 . . 94.23(5) n
Cl8 Zr3 Zr5 . 1_554 93.18(5) n
Cl9 Cs4 Cl10 6_556 8_655 129.3(11) n
Cl9 Cs4 Cl4 6_556 2 93.6(4) n
Cl9 Cs4 Cl9 6_556 2 170.1(11) n
Cl9 Cs4 Zr4 6_556 . 131.7(11) n
Cl9 Cs5 Cl10 2 6_556 145.1(6) n
Cl9 Cs5 Cl11 2 3_556 74.4(7) n
Cl9 Cs5 Cl2 2 5_556 118.3(12) n
Cl9 Cs5 Cl4 2 6_556 95.7(2) n
Cl2 Cs5 Cl10 5_556 8_655 152.7(4) n
Cl9 Zr3 Cl1 . . 84.94(5) n
Cl9 Zr3 Cl8 . . 169.49(5) n
Cl9 Zr3 Zr3 . 8_655 140.28(3) n
Cl9 Zr3 Zr4 . . 93.47(5) n
Cl9 Zr3 Zr5 . 1_554 94.10(5) n
Cl10 Cs3 Cl10 8_655 . 60.65(13) n
Cl10 Cs3 Cl2 8_655 . 58.08(12) n
Cl10 Cs3 Zr2 8_655 5_666 123.91(18) n
Cl10 Cs3 Zr5 . . 89.56(14) n
Cl10 Cs4 Cl10 8_655 6_556 117.8(3) n
Cl10 Cs4 Cl4 8_655 2 122.1(3) n
Cl10 Cs4 Cl9 4_456 2 110.4(10) n
Cl10 Cs4 Zr4 4_456 . 149.6(2) n
Cl10 Cs5 Cl10 6_556 8_655 110.3(6) n
Cl10 Cs5 Cl11 6_556 5_556 105.7(8) n
Cl10 Cs5 Cl4 4_456 6_556 119.1(5) n
Cl10 Zr3 Cl1 . . 83.13(5) n
Cl10 Zr3 Cl8 . . 90.00(7) n
Cl10 Zr3 Cl9 . . 89.41(7) n
Cl10 Zr3 Zr3 . 8_655 93.17(4) n
Cl10 Zr3 Zr4 . . 50.41(4) n
Cl10 Zr3 Zr5 . 1_554 139.43(4) n
Cl10 Zr4 Cl10 . 2 167.30(9) n
Cl10 Zr4 Cl2 . . 83.65(4) n
Cl10 Zr4 Zr3 . 2 141.97(5) n
Cl11 Cs3 Cl10 8_655 8_655 118.6(2) n
Cl11 Cs3 Cl11 8_655 . 66.36(14) n
Cl11 Cs3 Cl2 8_655 . 60.57(12) n
Cl11 Cs3 Cl3 8_655 5_666 119.24(19) n
Cl11 Cs3 Cl6 8_655 6_556 121.2(2) n
Cl11 Cs3 Cl7 8_655 . 117.21(4) n
Cl11 Cs3 Zr2 8_655 5_666 102.76(8) n
Cl11 Cs3 Zr5 8_655 . 36.75(8) n
Cl11 Cs5 Cl10 5_556 8_655 133.4(6) n
Cl11 Cs5 Cl11 5_556 3_556 53.5(6) n
Cl11 Cs5 Cl2 5_556 5_556 51.5(5) n
Cl11 Zr3 Cl1 8_654 . 86.64(5) n
Cl11 Zr3 Cl10 8_654 . 169.76(5) n
Cl11 Zr3 Cl8 8_654 . 89.30(7) n
Cl11 Zr3 Cl9 8_654 . 89.42(8) n
Cl11 Zr3 Zr3 8_654 7 93.46(4) n
Cl11 Zr3 Zr5 8_654 1_554 50.81(4) n
Cl11 Zr5 Cl11 7 8_655 168.85(9) n
Cl11 Zr5 Cl2 7 . 84.43(4) n
Cl11 Zr5 Cs3 7 . 121.32(7) n
Zr1 Cl4 Zr1 3_656 . 80.21(7) n
Zr1 Cl5 Cs1 7_565 1_554 117.57(15) n
Zr1 Cl5 Zr1 7_565 . 78.88(7) n
Zr1 Zr1 Zr1 7_565 3_656 90.0 n
Zr1 Zr1 Zr2 7_565 5_666 60.097(12) n
Zr1 Zr2 Zr1 . 7_565 60.20(2) n
Zr2 C1 Zr1 . 3_656 90.34(2) n
Zr2 Cl6 Zr1 . . 78.62(5) n
Zr2 Cl7 Zr1 5_666 . 79.81(4) n
Zr2 Zr1 Zr1 . 7_565 59.899(12) n
Zr2 Zr1 Zr1 . 3_656 60.02(2) n
Zr2 Zr1 Zr2 . 5_666 89.52(2) n
Zr3 C2 Zr3 2 . 178.3(5) n
Zr3 Cl11 Zr5 8_656 . 78.98(5) n
Zr3 Cl8 Zr3 8_655 . 79.53(7) n
Zr3 Cl9 Zr3 7 . 79.43(6) n
Zr3 Zr3 Zr3 7 8_655 90.0 n
Zr3 Zr4 Zr3 2 7 60.75(3) n
Zr3 Zr5 Zr3 1_556 7_556 60.39(3) n
Zr4 C2 Zr3 . 2 89.2(3) n
Zr4 Cl10 Zr3 . . 78.85(5) n
Zr4 Zr3 Zr3 . 7 59.662(13) n
Zr4 Zr3 Zr5 . 1_554 89.02(2) n
Zr5 C2 Zr3 1_554 2 90.8(3) n
Zr5 Zr3 Zr3 1_554 7 59.807(13) n
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Zr C~(average)~ . 2.278(2) yes
Zr Zr~(average)~ . 3.2210(10) yes
Zr Cl^a^~(average)~ . 2.643(2) yes
Zr Cl^i^~(average)~ . 2.527(2) yes
Zr1 Zr1 7_565 3.2210(10) n
Zr1 Zr1 3_656 3.2480(10) n
Zr1 Zr2 5_666 3.2307(9) n
Zr1 Zr2 . 3.2115(9) n
Zr3 Zr3 7 3.2340(10) n
Zr3 Zr3 8_655 3.2370(10) n
Zr3 Zr4 . 3.2014(9) n
Zr3 Zr5 1_554 3.2150(10) n
Zr1 C1 . 2.2871(6) n
Zr2 C1 . 2.2682(7) n
Zr3 C2 . 2.2883(6) n
Zr4 C2 . 2.270(10) n
Zr5 C2 1_556 2.230(10) n
Zr1 Cl7 . 2.5197(15) n
Zr1 Cl4 . 2.5206(17) n
Zr1 Cl5 . 2.5353(18) n
Zr1 Cl6 . 2.5354(15) n
Zr1 Cl1 . 2.6602(17) n
Zr2 Cl7 5_666 2.5164(16) n
Zr2 Cl6 . 2.5339(17) n
Zr2 Cl3 . 2.6726(14) n
Zr3 Cl11 8_654 2.5172(17) n
Zr3 Cl10 . 2.5262(16) n
Zr3 Cl9 . 2.5306(17) n
Zr3 Cl8 . 2.5306(17) n
Zr3 Cl1 . 2.6486(16) n
Zr4 Cl10 . 2.5146(14) n
Zr4 Cl2 . 2.569(3) n
Zr5 Cl11 7 2.5388(15) n
Zr5 Cl2 . 2.571(3) n
Cs1 Cl3 5_666 3.415(13) n
Cs1 Cl8 2_566 3.547(4) n
Cs1 Cl5 1_556 3.630(5) n
Cs2 Cl8 2_566 3.461(10) n
Cs2 Cl5 1_556 3.537(11) n
Cs2 Cl3 5_666 3.77(5) n
Cs2 Cl7 7_566 4.08(4) n
Cs3 Cl11 8_655 3.297(6) n
Cs3 Cl7 . 3.389(6) n
Cs3 Cl6 3_656 3.449(4) n
Cs3 Cl3 5_666 3.466(7) n
Cs3 Cl10 . 3.483(6) n
Cs3 Cl2 . 3.502(7) n
Cs4 Cl9 6_556 3.35(3) n
Cs4 Cl10 8_655 3.422(10) n
Cs4 Cl4 2 3.442(5) n
Cs4 Cl10 4_456 3.616(16) n
Cs4 Cl9 2 3.84(3) n
Cs5 Cl9 2 3.054(19) n
Cs5 Cl10 6_556 3.362(12) n
Cs5 Cl4 6_556 3.605(13) n
Cs5 Cl11 5_556 3.93(4) n
Cs5 Cl2 5_556 3.97(3) n
Cs5 Cl10 8_655 3.97(2) n
