#------------------------------------------------------------------------------
#$Date: 2025-11-29 19:41:51 +0100 (Sat 29 de Nov de 2025) $
#$Revision: 303663 $
#$URL: svn://www.crystallography.net/cod/cif/1/57/60/1576033.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1576033
loop_
_publ_author_name
'Ortín-Rubio, Borja'
'Yang, Yunhui'
'Borrego-Marin, Emilio'
'Rostoll-Berenguer, Jaume'
'Vila, Carlos'
'Juanhuix, Judith'
'Imaz, Inhar'
'Navarro, Jorge A. R.'
'Maspoch, Daniel'
_publ_section_title
;
 Linker desymmetrisation unlocks new topologies, defective clusters, and
 catalytic activity in zirconium- and rare-earth metal-organic frameworks.
;
_journal_issue                   45
_journal_name_full               'Chemical science'
_journal_page_first              21600
_journal_page_last               21613
_journal_paper_doi               10.1039/d5sc05365j
_journal_volume                  16
_journal_year                    2025
_chemical_formula_sum            'C51.43 O18.29 Zr3.43'
_chemical_formula_weight         1223.03
_space_group_crystal_system      orthorhombic
_space_group_IT_number           54
_space_group_name_Hall           '-P 2a 2ac'
_space_group_name_H-M_alt        'P c c a'
_audit_creation_method           SHELXL-2019/3
_audit_update_record
;
2025-07-16 deposited with the CCDC.	2025-10-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            7
_cell_length_a                   14.1161(4)
_cell_length_b                   18.8518(4)
_cell_length_c                   40.3544(4)
_cell_measurement_reflns_used    92005
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.336
_cell_measurement_theta_min      2.048
_cell_volume                     10738.9(4)
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'pilatus DECTRIS 6M'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.82653
_diffrn_reflns_av_R_equivalents  0.0486
_diffrn_reflns_av_unetI/netI     0.0277
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            92005
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        27.336
_diffrn_reflns_theta_max         27.336
_diffrn_reflns_theta_min         2.048
_diffrn_source                   synchrotron
_exptl_absorpt_coefficient_mu    0.946
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.324
_exptl_crystal_description       block
_exptl_crystal_F_000             4144
_exptl_crystal_size_max          0.020
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.020
_refine_diff_density_max         0.764
_refine_diff_density_min         -0.747
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.117
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     529
_refine_ls_number_reflns         7726
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.117
_refine_ls_R_factor_all          0.1057
_refine_ls_R_factor_gt           0.0812
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2783
_refine_ls_wR_factor_ref         0.3019
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4689
_reflns_number_total             7726
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5sc05365j3.cif
_cod_data_source_block           shelx_CCDC3
_cod_depositor_comments
'Adding full bibliography for 1576030--1576035.cif.'
_cod_database_code               1576033
_shelx_shelxl_version_number     2019/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.981
_shelx_estimated_absorpt_t_max   0.981
_platon_squeeze_void_probe_radius 1.20
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z'
'-x, y, -z+1/2'
'x+1/2, -y, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z'
'x, -y, z-1/2'
'-x-1/2, y, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zr01 Zr 0.500000 0.95106(6) 0.250000 0.1307(4) Uani 1 2 d S T P . .
Zr02 Zr 0.67317(5) 0.82014(5) 0.26204(2) 0.1391(4) Uani 1 1 d . . . . .
Zr03 Zr 0.46710(6) 0.82144(5) 0.30985(2) 0.1395(4) Uani 1 1 d . . . . .
Zr04 Zr 0.500000 0.68869(7) 0.250000 0.1537(5) Uani 1 2 d S T P . .
O005 O 0.5818(3) 0.8975(3) 0.29009(12) 0.1358(15) Uani 1 1 d . . . . .
O006 O 0.4104(3) 0.8770(3) 0.27028(12) 0.1377(16) Uani 1 1 d . . . . .
O007 O 0.4565(5) 0.7229(5) 0.33709(17) 0.163(2) Uani 1 1 d . . . . .
O008 O -0.3223(5) 0.1774(3) 0.67159(17) 0.159(2) Uani 1 1 d . . . . .
O009 O -0.2295(4) 0.1730(3) 0.71748(17) 0.157(2) Uani 1 1 d . . . . .
O00A O 0.5605(4) 0.7639(3) 0.28112(13) 0.1486(18) Uani 1 1 d . . . . .
O00B O 0.4477(4) 0.9227(5) 0.33749(14) 0.154(2) Uani 1 1 d . . . . .
O00C O 0.4580(5) 1.0055(4) 0.29762(18) 0.165(2) Uani 1 1 d . . . . .
O00D O 0.7725(4) 0.9052(4) 0.27142(16) 0.1546(19) Uani 1 1 d . . . . .
O00E O 0.6181(4) 0.7441(3) 0.22454(14) 0.1521(18) Uani 1 1 d . . . . .
O00F O 0.8927(5) 0.9722(4) 0.26234(19) 0.170(3) Uani 1 1 d . . . . .
O00G O 0.7197(5) 0.8137(4) 0.31689(17) 0.177(3) Uani 1 1 d . . . . .
O00H O 0.7740(5) 0.7343(4) 0.26802(19) 0.192(3) Uani 1 1 d . . . . .
O00I O 0.5138(5) 0.6363(4) 0.1995(2) 0.184(3) Uani 1 1 d . . . . .
O00J O 0.5809(5) 0.8231(3) 0.34704(15) 0.165(2) Uani 1 1 d . . . . .
O00K O 0.3875(6) 0.6099(4) 0.2448(2) 0.209(3) Uani 1 1 d . . . . .
C00L C 0.4433(7) 0.9870(9) 0.3275(3) 0.172(4) Uani 1 1 d . . . . .
C00M C -0.2431(9) 0.1766(5) 0.6862(3) 0.151(3) Uani 1 1 d . . . . .
C00N C -0.0654(8) 0.1735(6) 0.6794(3) 0.176(4) Uani 1 1 d . . . . .
C00O C -0.1560(7) 0.1794(5) 0.6663(2) 0.154(3) Uani 1 1 d . . . . .
C00P C 0.2581(9) 0.2244(9) 0.5686(3) 0.202(6) Uani 1 1 d . . . . .
C00Q C 0.0139(8) 0.1814(5) 0.6597(3) 0.174(4) Uani 1 1 d . . . . .
C00R C 0.0905(8) 0.2014(9) 0.6047(3) 0.185(4) Uani 1 1 d . . . . .
C00S C 0.0039(7) 0.1898(6) 0.6259(3) 0.171(4) Uani 1 1 d . . . . .
C00T C 0.4339(10) 0.3433(8) 0.4770(4) 0.227(7) Uani 1 1 d . . . . .
C00V C 0.1369(9) 0.2658(8) 0.6042(4) 0.216(6) Uani 1 1 d . . . . .
C00X C 0.2144(8) 0.2723(9) 0.5860(4) 0.209(6) Uani 1 1 d . . . . .
C00Y C 0.3661(9) 0.3572(9) 0.4569(4) 0.206(5) Uani 1 1 d . . . . .
C010 C 0.6745(9) 0.8173(6) 0.3427(3) 0.182(4) Uani 1 1 d . . . . .
C012 C 0.5199(9) 0.3846(8) 0.4801(4) 0.231(6) Uani 1 1 d . . . . .
C013 C 0.5281(11) 0.4410(9) 0.4564(5) 0.231(6) Uani 1 1 d . . . . .
C014 C 0.2122(10) 0.1597(10) 0.5687(4) 0.230(6) Uani 1 1 d . . . . .
C015 C 0.4589(12) 0.4525(9) 0.4337(4) 0.219(6) Uani 1 1 d . . . . .
C017 C 0.4182(6) 0.1838(6) 0.5547(3) 0.286(11) Uani 1 1 d G . . . .
C01H C 0.4985(6) 0.1890(6) 0.5349(3) 0.301(12) Uani 1 1 d G . . . .
C01G C 0.5036(5) 0.2408(6) 0.5104(3) 0.252(8) Uani 1 1 d G . . . .
C01F C 0.4284(6) 0.2873(5) 0.5057(2) 0.228(7) Uani 1 1 d G . . . .
C00W C 0.3481(5) 0.2821(5) 0.5255(3) 0.255(8) Uani 1 1 d G . . . .
C00U C 0.3430(5) 0.2303(6) 0.5500(3) 0.239(7) Uani 1 1 d G . . . .
C019 C 0.1286(9) 0.1436(10) 0.5879(3) 0.203(4) Uani 1 1 d . . . . .
C01A C -0.1656(8) 0.1894(7) 0.6313(3) 0.203(5) Uani 1 1 d . . . . .
C01C C -0.0871(9) 0.1910(9) 0.6119(3) 0.238(7) Uani 1 1 d . . . . .
C01D C 0.4599(8) 0.6295(5) 0.3892(3) 0.230(6) Uani 1 1 d G . . . .
C011 C 0.4546(9) 0.5786(7) 0.4140(2) 0.263(8) Uani 1 1 d G . . . .
C00Z C 0.4625(9) 0.5070(6) 0.4061(3) 0.273(9) Uani 1 1 d G . . . .
C1AA C 0.4757(11) 0.4864(5) 0.3734(3) 0.406(19) Uani 1 1 d G . . . .
C14 C 0.4809(10) 0.5373(7) 0.3485(2) 0.349(15) Uani 1 1 d G . . . .
C01J C 0.4730(7) 0.6088(6) 0.3564(2) 0.211(5) Uani 1 1 d G . . . .
C01E C 0.6224(10) 0.4924(12) 0.4620(4) 0.284(9) Uani 1 1 d . . . . .
C01I C 0.3764(11) 0.4123(8) 0.4326(4) 0.229(6) Uani 1 1 d . . . . .
C01K C 0.2587(16) 0.3406(13) 0.5892(6) 0.328(12) Uani 1 1 d . . . . .
C01L C 0.2755(12) 0.3168(8) 0.4535(5) 0.239(7) Uani 1 1 d . . . . .
C12 C 0.074(2) 0.0690(13) 0.5847(6) 0.365(14) Uani 1 1 d . . . . .
C9 C 0.4704(10) 0.6616(8) 0.3299(3) 0.181(5) Uani 1 1 d . . . . .
C3AA C 0.8353(14) 0.9356(7) 0.2597(4) 0.213(7) Uani 1 1 d . . . . .
C0AA C 0.5742(17) 0.1334(15) 0.5342(8) 0.46(2) Uani 1 1 d . . . . .
C2 C 0.7146(10) 0.0243(6) 0.5963(3) 0.204(5) Uiso 1 1 d . . . . .
C4 C 0.6812(18) 0.0541(13) 0.5668(6) 0.295(9) Uiso 1 1 d . . . . .
C2AA C 0.5918(19) 0.1054(13) 0.5683(6) 0.309(9) Uiso 1 1 d . . . . .
C5 C 0.671(3) 0.001(2) 0.5434(12) 0.282(15) Uiso 0.5 1 d . . P A 1
C5A C 0.762(3) 0.0748(17) 0.5408(10) 0.260(13) Uiso 0.5 1 d . . P A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0052 0.0023 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0162 0.0086 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zr Zr -1.4800 0.7633 '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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O006 Zr01 O006 94.3(3) . 3_655 ?
O006 Zr01 O00F 142.9(3) . 2_675 ?
O006 Zr01 O00F 96.7(2) 3_655 2_675 ?
O006 Zr01 O00F 96.7(2) . 4_475 ?
O006 Zr01 O00F 142.9(3) 3_655 4_475 ?
O00F Zr01 O00F 95.6(4) 2_675 4_475 ?
O006 Zr01 O005 73.85(19) . . ?
O006 Zr01 O005 70.27(19) 3_655 . ?
O00F Zr01 O005 76.8(3) 2_675 . ?
O00F Zr01 O005 146.8(2) 4_475 . ?
O006 Zr01 O005 70.26(19) . 3_655 ?
O006 Zr01 O005 73.84(19) 3_655 3_655 ?
O00F Zr01 O005 146.8(2) 2_675 3_655 ?
O00F Zr01 O005 76.8(3) 4_475 3_655 ?
O005 Zr01 O005 126.1(3) . 3_655 ?
O006 Zr01 O00C 144.1(2) . 3_655 ?
O006 Zr01 O00C 78.9(2) 3_655 3_655 ?
O00F Zr01 O00C 73.0(3) 2_675 3_655 ?
O00F Zr01 O00C 71.5(3) 4_475 3_655 ?
O005 Zr01 O00C 133.4(2) . 3_655 ?
O005 Zr01 O00C 74.0(2) 3_655 3_655 ?
O006 Zr01 O00C 78.9(2) . . ?
O006 Zr01 O00C 144.1(2) 3_655 . ?
O00F Zr01 O00C 71.5(3) 2_675 . ?
O00F Zr01 O00C 73.0(3) 4_475 . ?
O005 Zr01 O00C 74.0(2) . . ?
O005 Zr01 O00C 133.4(2) 3_655 . ?
O00C Zr01 O00C 126.0(4) 3_655 . ?
O006 Zr01 Zr03 32.94(14) . . ?
O006 Zr01 Zr03 83.15(15) 3_655 . ?
O00F Zr01 Zr03 114.0(2) 2_675 . ?
O00F Zr01 Zr03 122.71(19) 4_475 . ?
O005 Zr01 Zr03 40.95(12) . . ?
O005 Zr01 Zr03 96.72(14) 3_655 . ?
O00C Zr01 Zr03 161.5(2) 3_655 . ?
O00C Zr01 Zr03 72.1(2) . . ?
O006 Zr01 Zr03 83.15(15) . 3_655 ?
O006 Zr01 Zr03 32.93(14) 3_655 3_655 ?
O00F Zr01 Zr03 122.71(19) 2_675 3_655 ?
O00F Zr01 Zr03 114.0(2) 4_475 3_655 ?
O005 Zr01 Zr03 96.72(14) . 3_655 ?
O005 Zr01 Zr03 40.95(12) 3_655 3_655 ?
O00C Zr01 Zr03 72.1(2) 3_655 3_655 ?
O00C Zr01 Zr03 161.5(2) . 3_655 ?
Zr03 Zr01 Zr03 90.37(4) . 3_655 ?
O006 Zr01 Zr02 83.99(15) . . ?
O006 Zr01 Zr02 31.55(14) 3_655 . ?
O00F Zr01 Zr02 87.1(2) 2_675 . ?
O00F Zr01 Zr02 174.4(2) 4_475 . ?
O005 Zr01 Zr02 38.72(13) . . ?
O005 Zr01 Zr02 98.22(14) 3_655 . ?
O00C Zr01 Zr02 104.76(18) 3_655 . ?
O00C Zr01 Zr02 112.62(18) . . ?
Zr03 Zr01 Zr02 60.06(2) . . ?
Zr03 Zr01 Zr02 60.48(3) 3_655 . ?
O006 Zr01 Zr02 31.54(14) . 3_655 ?
O006 Zr01 Zr02 83.99(15) 3_655 3_655 ?
O00F Zr01 Zr02 174.4(2) 2_675 3_655 ?
O00F Zr01 Zr02 87.1(2) 4_475 3_655 ?
O005 Zr01 Zr02 98.22(14) . 3_655 ?
O005 Zr01 Zr02 38.72(13) 3_655 3_655 ?
O00C Zr01 Zr02 112.62(18) 3_655 3_655 ?
O00C Zr01 Zr02 104.76(18) . 3_655 ?
Zr03 Zr01 Zr02 60.48(3) . 3_655 ?
Zr03 Zr01 Zr02 60.06(2) 3_655 3_655 ?
Zr02 Zr01 Zr02 90.56(4) . 3_655 ?
O00A Zr02 O006 93.6(2) . 3_655 ?
O00A Zr02 O00H 94.6(3) . . ?
O006 Zr02 O00H 146.6(3) 3_655 . ?
O00A Zr02 O00D 144.7(2) . . ?
O006 Zr02 O00D 95.6(2) 3_655 . ?
O00H Zr02 O00D 96.2(3) . . ?
O00A Zr02 O00E 69.7(2) . . ?
O006 Zr02 O00E 72.8(2) 3_655 . ?
O00H Zr02 O00E 79.9(3) . . ?
O00D Zr02 O00E 145.4(2) . . ?
O00A Zr02 O005 72.8(2) . . ?
O006 Zr02 O005 69.72(19) 3_655 . ?
O00H Zr02 O005 143.4(2) . . ?
O00D Zr02 O005 78.7(2) . . ?
O00E Zr02 O005 124.0(2) . . ?
O00A Zr02 O009 142.5(2) . 7_665 ?
O006 Zr02 O009 79.4(2) 3_655 7_665 ?
O00H Zr02 O009 74.5(2) . 7_665 ?
O00D Zr02 O009 72.8(2) . 7_665 ?
O00E Zr02 O009 73.1(2) . 7_665 ?
O005 Zr02 O009 135.15(19) . 7_665 ?
O00A Zr02 O00G 80.5(3) . . ?
O006 Zr02 O00G 142.8(2) 3_655 . ?
O00H Zr02 O00G 70.6(3) . . ?
O00D Zr02 O00G 71.8(3) . . ?
O00E Zr02 O00G 135.8(2) . . ?
O005 Zr02 O00G 73.5(2) . . ?
O009 Zr02 O00G 126.2(2) 7_665 . ?
O00A Zr02 Zr03 32.22(16) . . ?
O006 Zr02 Zr03 82.47(13) 3_655 . ?
O00H Zr02 Zr03 119.39(19) . . ?
O00D Zr02 Zr03 115.99(16) . . ?
O00E Zr02 Zr03 95.12(13) . . ?
O005 Zr02 Zr03 40.57(13) . . ?
O009 Zr02 Zr03 160.60(18) 7_665 . ?
O00G Zr02 Zr03 73.03(17) . . ?
O00A Zr02 Zr01 82.88(16) . . ?
O006 Zr02 Zr01 31.46(14) 3_655 . ?
O00H Zr02 Zr01 176.3(2) . . ?
O00D Zr02 Zr01 87.40(16) . . ?
O00E Zr02 Zr01 96.64(15) . . ?
O005 Zr02 Zr01 38.26(12) . . ?
O009 Zr02 Zr01 105.81(16) 7_665 . ?
O00G Zr02 Zr01 111.58(17) . . ?
Zr03 Zr02 Zr01 59.393(19) . . ?
O00A Zr02 Zr03 82.94(16) . 3_655 ?
O006 Zr02 Zr03 31.81(16) 3_655 3_655 ?
O00H Zr02 Zr03 117.8(2) . 3_655 ?
O00D Zr02 Zr03 120.32(18) . 3_655 ?
O00E Zr02 Zr03 41.04(15) . 3_655 ?
O005 Zr02 Zr03 95.04(12) . 3_655 ?
O009 Zr02 Zr03 71.70(18) 7_665 3_655 ?
O00G Zr02 Zr03 162.04(17) . 3_655 ?
Zr03 Zr02 Zr03 89.24(2) . 3_655 ?
Zr01 Zr02 Zr03 59.19(2) . 3_655 ?
O00A Zr02 Zr04 32.01(16) . . ?
O006 Zr02 Zr04 83.14(16) 3_655 . ?
O00H Zr02 Zr04 86.9(2) . . ?
O00D Zr02 Zr04 176.00(16) . . ?
O00E Zr02 Zr04 37.68(13) . . ?
O005 Zr02 Zr04 97.34(13) . . ?
O009 Zr02 Zr04 110.62(17) 7_665 . ?
O00G Zr02 Zr04 107.04(19) . . ?
Zr03 Zr02 Zr04 60.12(2) . . ?
Zr01 Zr02 Zr04 89.56(3) . . ?
Zr03 Zr02 Zr04 59.91(2) 3_655 . ?
O00A Zr03 O006 94.6(2) . . ?
O00A Zr03 O007 83.0(3) . . ?
O006 Zr03 O007 143.1(3) . . ?
O00A Zr03 O008 143.0(2) . 5_566 ?
O006 Zr03 O008 84.1(2) . 5_566 ?
O007 Zr03 O008 76.6(3) . 5_566 ?
O00A Zr03 O00J 85.6(2) . . ?
O006 Zr03 O00J 143.3(2) . . ?
O007 Zr03 O00J 73.5(3) . . ?
O008 Zr03 O00J 116.8(3) 5_566 . ?
O00A Zr03 O00B 144.1(2) . . ?
O006 Zr03 O00B 84.6(2) . . ?
O007 Zr03 O00B 118.2(3) . . ?
O008 Zr03 O00B 72.8(2) 5_566 . ?
O00J Zr03 O00B 74.7(2) . . ?
O00A Zr03 O005 71.6(2) . . ?
O006 Zr03 O005 71.95(19) . . ?
O007 Zr03 O005 139.3(2) . . ?
O008 Zr03 O005 140.6(2) 5_566 . ?
O00J Zr03 O005 73.4(2) . . ?
O00B Zr03 O005 74.1(2) . . ?
O00A Zr03 O00E 70.6(2) . 3_655 ?
O006 Zr03 O00E 70.1(2) . 3_655 ?
O007 Zr03 O00E 74.4(3) . 3_655 ?
O008 Zr03 O00E 74.2(2) 5_566 3_655 ?
O00J Zr03 O00E 142.0(2) . 3_655 ?
O00B Zr03 O00E 140.0(2) . 3_655 ?
O005 Zr03 O00E 122.85(18) . 3_655 ?
O00A Zr03 Zr01 83.89(16) . . ?
O006 Zr03 Zr01 32.65(13) . . ?
O007 Zr03 Zr01 165.5(2) . . ?
O008 Zr03 Zr01 111.02(17) 5_566 . ?
O00J Zr03 Zr01 111.55(17) . . ?
O00B Zr03 Zr01 76.18(19) . . ?
O005 Zr03 Zr01 39.33(12) . . ?
O00E Zr03 Zr01 95.44(15) 3_655 . ?
O00A Zr03 Zr02 32.16(16) . . ?
O006 Zr03 Zr02 84.22(13) . . ?
O007 Zr03 Zr02 109.40(19) . . ?
O008 Zr03 Zr02 166.57(19) 5_566 . ?
O00J Zr03 Zr02 76.60(18) . . ?
O00B Zr03 Zr02 112.65(17) . . ?
O005 Zr03 Zr02 39.45(13) . . ?
O00E Zr03 Zr02 95.50(12) 3_655 . ?
Zr01 Zr03 Zr02 60.546(19) . . ?
O00A Zr03 Zr04 32.21(17) . . ?
O006 Zr03 Zr04 83.15(16) . . ?
O007 Zr03 Zr04 75.3(2) . . ?
O008 Zr03 Zr04 111.60(18) 5_566 . ?
O00J Zr03 Zr04 112.54(18) . . ?
O00B Zr03 Zr04 166.41(19) . . ?
O005 Zr03 Zr04 96.46(13) . . ?
O00E Zr03 Zr04 38.45(13) 3_655 . ?
Zr01 Zr03 Zr04 90.31(3) . . ?
Zr02 Zr03 Zr04 60.28(2) . . ?
O00A Zr03 Zr02 83.83(16) . 3_655 ?
O006 Zr03 Zr02 31.63(15) . 3_655 ?
O007 Zr03 Zr02 112.0(2) . 3_655 ?
O008 Zr03 Zr02 75.82(19) 5_566 3_655 ?
O00J Zr03 Zr02 167.34(18) . 3_655 ?
O00B Zr03 Zr02 110.50(18) . 3_655 ?
O005 Zr03 Zr02 96.58(12) . 3_655 ?
O00E Zr03 Zr02 38.54(15) 3_655 3_655 ?
Zr01 Zr03 Zr02 60.333(19) . 3_655 ?
Zr02 Zr03 Zr02 90.76(2) . 3_655 ?
Zr04 Zr03 Zr02 60.07(2) . 3_655 ?
O00A Zr04 O00A 93.9(3) 3_655 . ?
O00A Zr04 O00K 96.1(3) 3_655 . ?
O00A Zr04 O00K 145.2(2) . . ?
O00A Zr04 O00K 145.2(2) 3_655 3_655 ?
O00A Zr04 O00K 96.1(3) . 3_655 ?
O00K Zr04 O00K 94.3(5) . 3_655 ?
O00A Zr04 O00E 69.5(2) 3_655 3_655 ?
O00A Zr04 O00E 73.0(2) . 3_655 ?
O00K Zr04 O00E 79.5(3) . 3_655 ?
O00K Zr04 O00E 145.2(3) 3_655 3_655 ?
O00A Zr04 O00E 73.0(2) 3_655 . ?
O00A Zr04 O00E 69.5(2) . . ?
O00K Zr04 O00E 145.2(3) . . ?
O00K Zr04 O00E 79.5(3) 3_655 . ?
O00E Zr04 O00E 123.9(3) 3_655 . ?
O00A Zr04 O00I 143.4(2) 3_655 3_655 ?
O00A Zr04 O00I 77.8(3) . 3_655 ?
O00K Zr04 O00I 74.2(3) . 3_655 ?
O00K Zr04 O00I 71.4(3) 3_655 3_655 ?
O00E Zr04 O00I 74.0(2) 3_655 3_655 ?
O00E Zr04 O00I 133.2(3) . 3_655 ?
O00A Zr04 O00I 77.8(3) 3_655 . ?
O00A Zr04 O00I 143.4(2) . . ?
O00K Zr04 O00I 71.4(3) . . ?
O00K Zr04 O00I 74.2(3) 3_655 . ?
O00E Zr04 O00I 133.2(3) 3_655 . ?
O00E Zr04 O00I 74.0(2) . . ?
O00I Zr04 O00I 128.6(4) 3_655 . ?
O00A Zr04 Zr03 82.81(16) 3_655 . ?
O00A Zr04 Zr03 31.98(13) . . ?
O00K Zr04 Zr03 117.04(18) . . ?
O00K Zr04 Zr03 121.0(3) 3_655 . ?
O00E Zr04 Zr03 41.08(16) 3_655 . ?
O00E Zr04 Zr03 94.74(16) . . ?
O00I Zr04 Zr03 71.4(2) 3_655 . ?
O00I Zr04 Zr03 159.8(2) . . ?
O00A Zr04 Zr03 31.98(13) 3_655 3_655 ?
O00A Zr04 Zr03 82.82(16) . 3_655 ?
O00K Zr04 Zr03 121.0(3) . 3_655 ?
O00K Zr04 Zr03 117.04(19) 3_655 3_655 ?
O00E Zr04 Zr03 94.74(16) 3_655 3_655 ?
O00E Zr04 Zr03 41.08(16) . 3_655 ?
O00I Zr04 Zr03 159.8(2) 3_655 3_655 ?
O00I Zr04 Zr03 71.4(2) . 3_655 ?
Zr03 Zr04 Zr03 89.01(4) . 3_655 ?
O00A Zr04 Zr02 83.60(16) 3_655 . ?
O00A Zr04 Zr02 31.71(13) . . ?
O00K Zr04 Zr02 176.64(19) . . ?
O00K Zr04 Zr02 87.7(3) 3_655 . ?
O00E Zr04 Zr02 97.28(16) 3_655 . ?
O00E Zr04 Zr02 37.80(16) . . ?
O00I Zr04 Zr02 104.0(2) 3_655 . ?
O00I Zr04 Zr02 111.74(18) . . ?
Zr03 Zr04 Zr02 59.60(2) . . ?
Zr03 Zr04 Zr02 60.02(3) 3_655 . ?
O00A Zr04 Zr02 31.71(13) 3_655 3_655 ?
O00A Zr04 Zr02 83.60(16) . 3_655 ?
O00K Zr04 Zr02 87.7(3) . 3_655 ?
O00K Zr04 Zr02 176.64(19) 3_655 3_655 ?
O00E Zr04 Zr02 37.81(16) 3_655 3_655 ?
O00E Zr04 Zr02 97.28(16) . 3_655 ?
O00I Zr04 Zr02 111.74(18) 3_655 3_655 ?
O00I Zr04 Zr02 104.0(2) . 3_655 ?
Zr03 Zr04 Zr02 60.02(3) . 3_655 ?
Zr03 Zr04 Zr02 59.60(2) 3_655 3_655 ?
Zr02 Zr04 Zr02 90.33(4) . 3_655 ?
Zr01 O005 Zr02 103.02(19) . . ?
Zr01 O005 Zr03 99.72(18) . . ?
Zr02 O005 Zr03 100.0(2) . . ?
Zr01 O006 Zr02 117.0(2) . 3_655 ?
Zr01 O006 Zr03 114.4(2) . . ?
Zr02 O006 Zr03 116.6(3) 3_655 . ?
C9 O007 Zr03 133.6(7) . . ?
C00M O008 Zr03 132.0(6) . 5_566 ?
C00M O009 Zr02 133.5(7) . 7_466 ?
Zr03 O00A Zr02 115.6(3) . . ?
Zr03 O00A Zr04 115.8(2) . . ?
Zr02 O00A Zr04 116.3(2) . . ?
C00L O00B Zr03 131.3(6) . . ?
C00L O00C Zr01 136.5(8) . . ?
C3AA O00D Zr02 142.4(8) . . ?
Zr04 O00E Zr02 104.5(2) . . ?
Zr04 O00E Zr03 100.5(2) . 3_655 ?
Zr02 O00E Zr03 100.4(2) . 3_655 ?
C3AA O00F Zr01 160.6(11) . 2_675 ?
C010 O00G Zr02 131.5(7) . . ?
C9 O00I Zr04 132.5(8) 3_655 . ?
C010 O00J Zr03 129.1(7) . . ?
O00C C00L O00B 123.4(11) . . ?
O008 C00M O009 126.5(9) . . ?
O008 C00M C00O 118.9(9) . . ?
O009 C00M C00O 114.6(11) . . ?
C00Q C00N C00O 121.4(11) . . ?
C01A C00O C00N 118.3(9) . . ?
C01A C00O C00M 117.7(10) . . ?
C00N C00O C00M 124.0(10) . . ?
C00X C00P C014 113.0(11) . . ?
C00X C00P C00U 129.3(15) . . ?
C014 C00P C00U 117.8(14) . . ?
C00N C00Q C00S 119.8(12) . . ?
C00V C00R C019 120.0(11) . . ?
C00V C00R C00S 121.4(12) . . ?
C019 C00R C00S 118.3(14) . . ?
C01C C00S C00Q 119.6(9) . . ?
C01C C00S C00R 120.6(10) . . ?
C00Q C00S C00R 119.7(10) . . ?
C00Y C00T C012 124.9(13) . . ?
C00Y C00T C01F 124.6(13) . . ?
C012 C00T C01F 109.8(13) . . ?
C00X C00V C00R 118.8(14) . . ?
C00P C00X C00V 128.9(15) . . ?
C00P C00X C01K 117.7(13) . . ?
C00V C00X C01K 113.1(17) . . ?
C00T C00Y C01I 120.3(14) . . ?
C00T C00Y C01L 126.4(14) . . ?
C01I C00Y C01L 113.0(15) . . ?
O00G C010 O00J 129.3(11) . . ?
C013 C012 C00T 114.1(14) . . ?
C015 C013 C012 120.8(16) . . ?
C015 C013 C01E 125.1(15) . . ?
C012 C013 C01E 114.0(17) . . ?
C00P C014 C019 124.8(14) . . ?
C01I C015 C013 122.4(13) . . ?
C01I C015 C00Z 112.1(15) . . ?
C013 C015 C00Z 125.5(16) . . ?
C01H C017 C00U 120.0 . . ?
C01G C01H C017 120.0 . . ?
C01G C01H C0AA 116.2(9) . . ?
C017 C01H C0AA 122.9(9) . . ?
C01H C01G C01F 120.0 . . ?
C01G C01F C00W 120.0 . . ?
C01G C01F C00T 119.2(6) . . ?
C00W C01F C00T 120.8(6) . . ?
C00U C00W C01F 120.0 . . ?
C00W C00U C017 120.0 . . ?
C00W C00U C00P 118.4(6) . . ?
C017 C00U C00P 121.6(7) . . ?
C00R C019 C014 114.2(15) . . ?
C00R C019 C12 122.6(14) . . ?
C014 C019 C12 122.3(16) . . ?
C01C C01A C00O 119.5(12) . . ?
C00S C01C C01A 121.1(12) . . ?
C011 C01D C01J 120.0 . . ?
C00Z C011 C01D 120.0 . . ?
C1AA C00Z C011 120.0 . . ?
C1AA C00Z C015 120.8(10) . . ?
C011 C00Z C015 119.2(11) . . ?
C00Z C1AA C14 120.0 . . ?
C01J C14 C1AA 120.0 . . ?
C14 C01J C01D 120.0 . . ?
C14 C01J C9 119.7(11) . . ?
C01D C01J C9 120.1(10) . . ?
C015 C01I C00Y 117.3(14) . . ?
O007 C9 O00I 126.7(11) . 3_655 ?
O007 C9 C01J 118.7(12) . . ?
O00I C9 C01J 114.5(13) 3_655 . ?
O00F C3AA O00D 149.1(15) . . ?
C2AA C0AA C01H 110(2) . . ?
C4 C2 C2 121.3(13) . 2_655 ?
C2 C4 C5 109(3) . . ?
C2 C4 C2AA 119(2) . . ?
C5 C4 C2AA 113(3) . . ?
C2 C4 C5A 115(2) . . ?
C2AA C4 C5A 116(2) . . ?
C0AA C2AA C4 108(2) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zr01 O006 2.054(5) . ?
Zr01 O006 2.054(5) 3_655 ?
Zr01 O00F 2.152(8) 2_675 ?
Zr01 O00F 2.152(8) 4_475 ?
Zr01 O005 2.229(5) . ?
Zr01 O005 2.230(5) 3_655 ?
Zr01 O00C 2.257(7) 3_655 ?
Zr01 O00C 2.257(7) . ?
Zr01 Zr03 3.4671(11) . ?
Zr01 Zr03 3.4672(11) 3_655 ?
Zr01 Zr02 3.5077(11) . ?
Zr01 Zr02 3.5077(11) 3_655 ?
Zr02 O00A 2.060(5) . ?
Zr02 O006 2.060(5) 3_655 ?
Zr02 O00H 2.168(6) . ?
Zr02 O00D 2.163(7) . ?
Zr02 O00E 2.225(6) . ?
Zr02 O005 2.252(5) . ?
Zr02 O009 2.267(6) 7_665 ?
Zr02 O00G 2.312(7) . ?
Zr02 Zr03 3.4907(10) . ?
Zr02 Zr03 3.5127(12) 3_655 ?
Zr02 Zr04 3.5147(12) . ?
Zr03 O00A 2.064(5) . ?
Zr03 O006 2.070(5) . ?
Zr03 O007 2.164(7) . ?
Zr03 O008 2.176(6) 5_566 ?
Zr03 O00J 2.199(7) . ?
Zr03 O00B 2.228(8) . ?
Zr03 O005 2.305(5) . ?
Zr03 O00E 2.345(6) 3_655 ?
Zr03 Zr04 3.5089(12) . ?
Zr04 O00A 2.078(6) 3_655 ?
Zr04 O00A 2.078(6) . ?
Zr04 O00K 2.185(8) . ?
Zr04 O00K 2.185(8) 3_655 ?
Zr04 O00E 2.219(5) 3_655 ?
Zr04 O00E 2.219(5) . ?
Zr04 O00I 2.274(7) 3_655 ?
Zr04 O00I 2.274(7) . ?
O007 C9 1.207(14) . ?
O008 C00M 1.265(13) . ?
O009 C00M 1.277(12) . ?
O00B C00L 1.278(14) . ?
O00C C00L 1.273(12) . ?
O00D C3AA 1.157(14) . ?
O00F C3AA 1.071(15) . ?
O00G C010 1.222(14) . ?
O00I C9 1.298(15) 3_655 ?
O00J C010 1.337(14) . ?
C00M C00O 1.471(13) . ?
C00N C00Q 1.379(14) . ?
C00N C00O 1.388(16) . ?
C00O C01A 1.433(15) . ?
C00P C00X 1.298(17) . ?
C00P C014 1.38(2) . ?
C00P C00U 1.419(11) . ?
C00Q C00S 1.380(15) . ?
C00R C00V 1.380(17) . ?
C00R C019 1.391(18) . ?
C00R C00S 1.510(14) . ?
C00S C01C 1.403(16) . ?
C00T C00Y 1.279(18) . ?
C00T C012 1.45(2) . ?
C00T C01F 1.571(13) . ?
C00V C00X 1.324(15) . ?
C00X C01K 1.44(3) . ?
C00Y C01I 1.437(17) . ?
C00Y C01L 1.49(2) . ?
C012 C013 1.434(18) . ?
C013 C015 1.36(2) . ?
C013 C01E 1.66(2) . ?
C014 C019 1.446(17) . ?
C015 C01I 1.39(2) . ?
C015 C00Z 1.513(14) . ?
C017 C01H 1.3900 . ?
C017 C00U 1.3900 . ?
C01H C01G 1.3900 . ?
C01H C0AA 1.497(18) . ?
C01G C01F 1.3900 . ?
C01F C00W 1.3900 . ?
C00W C00U 1.3900 . ?
C019 C12 1.61(3) . ?
C01A C01C 1.356(15) . ?
C01D C011 1.3900 . ?
C01D C01J 1.3900 . ?
C011 C00Z 1.3900 . ?
C00Z C1AA 1.3900 . ?
C1AA C14 1.3900 . ?
C14 C01J 1.3900 . ?
C01J C9 1.461(13) . ?
C0AA C2AA 1.49(3) . ?
C2 C4 1.40(2) . ?
C2 C2 1.36(2) 2_655 ?
C4 C5 1.39(4) . ?
C4 C2AA 1.59(3) . ?
C4 C5A 1.59(4) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Zr01 O00C C00L O00B -2.5(16) . . . . ?
Zr03 O00B C00L O00C -6.3(15) . . . . ?
Zr03 O008 C00M O009 3.4(14) 5_566 . . . ?
Zr03 O008 C00M C00O -177.2(6) 5_566 . . . ?
Zr02 O009 C00M O008 -8.8(14) 7_466 . . . ?
Zr02 O009 C00M C00O 171.7(5) 7_466 . . . ?
C00Q C00N C00O C01A 4.0(16) . . . . ?
C00Q C00N C00O C00M -175.4(9) . . . . ?
O008 C00M C00O C01A 5.6(14) . . . . ?
O009 C00M C00O C01A -174.9(9) . . . . ?
O008 C00M C00O C00N -175.0(10) . . . . ?
O009 C00M C00O C00N 4.5(14) . . . . ?
C00O C00N C00Q C00S -5.2(17) . . . . ?
C00N C00Q C00S C01C 0.8(18) . . . . ?
C00N C00Q C00S C00R 177.5(12) . . . . ?
C00V C00R C00S C01C 101.7(17) . . . . ?
C019 C00R C00S C01C -84.6(17) . . . . ?
C00V C00R C00S C00Q -75.0(17) . . . . ?
C019 C00R C00S C00Q 98.7(15) . . . . ?
C019 C00R C00V C00X 4(2) . . . . ?
C00S C00R C00V C00X 177.7(12) . . . . ?
C014 C00P C00X C00V 3(2) . . . . ?
C00U C00P C00X C00V -177.6(14) . . . . ?
C014 C00P C00X C01K 176.6(17) . . . . ?
C00U C00P C00X C01K -4(3) . . . . ?
C00R C00V C00X C00P -3(3) . . . . ?
C00R C00V C00X C01K -176.6(17) . . . . ?
C012 C00T C00Y C01I 7(3) . . . . ?
C01F C00T C00Y C01I 176.3(13) . . . . ?
C012 C00T C00Y C01L -178.5(15) . . . . ?
C01F C00T C00Y C01L -10(3) . . . . ?
Zr02 O00G C010 O00J 3.4(19) . . . . ?
Zr03 O00J C010 O00G 4.6(18) . . . . ?
C00Y C00T C012 C013 -5(2) . . . . ?
C01F C00T C012 C013 -175.4(11) . . . . ?
C00T C012 C013 C015 0(2) . . . . ?
C00T C012 C013 C01E 175.1(13) . . . . ?
C00X C00P C014 C019 -5(2) . . . . ?
C00U C00P C014 C019 176.0(13) . . . . ?
C012 C013 C015 C01I 2(2) . . . . ?
C01E C013 C015 C01I -172.4(14) . . . . ?
C012 C013 C015 C00Z -175.8(12) . . . . ?
C01E C013 C015 C00Z 10(2) . . . . ?
C00U C017 C01H C01G 0.0 . . . . ?
C00U C017 C01H C0AA -169(2) . . . . ?
C017 C01H C01G C01F 0.0 . . . . ?
C0AA C01H C01G C01F 169(2) . . . . ?
C01H C01G C01F C00W 0.0 . . . . ?
C01H C01G C01F C00T -177.4(14) . . . . ?
C00Y C00T C01F C01G 135.1(15) . . . . ?
C012 C00T C01F C01G -54.5(16) . . . . ?
C00Y C00T C01F C00W -42(2) . . . . ?
C012 C00T C01F C00W 128.1(11) . . . . ?
C01G C01F C00W C00U 0.0 . . . . ?
C00T C01F C00W C00U 177.4(14) . . . . ?
C01F C00W C00U C017 0.0 . . . . ?
C01F C00W C00U C00P -177.1(15) . . . . ?
C01H C017 C00U C00W 0.0 . . . . ?
C01H C017 C00U C00P 177.0(15) . . . . ?
C00X C00P C00U C00W -56(2) . . . . ?
C014 C00P C00U C00W 123.0(13) . . . . ?
C00X C00P C00U C017 127.0(14) . . . . ?
C014 C00P C00U C017 -54.0(18) . . . . ?
C00V C00R C019 C014 -5(2) . . . . ?
C00S C00R C019 C014 -179.0(12) . . . . ?
C00V C00R C019 C12 -174.3(18) . . . . ?
C00S C00R C019 C12 12(2) . . . . ?
C00P C014 C019 C00R 6(2) . . . . ?
C00P C014 C019 C12 175(2) . . . . ?
C00N C00O C01A C01C 2(2) . . . . ?
C00M C00O C01A C01C -178.8(13) . . . . ?
C00Q C00S C01C C01A 5(2) . . . . ?
C00R C00S C01C C01A -171.7(14) . . . . ?
C00O C01A C01C C00S -6(2) . . . . ?
C01J C01D C011 C00Z 0.0 . . . . ?
C01D C011 C00Z C1AA 0.0 . . . . ?
C01D C011 C00Z C015 178.6(12) . . . . ?
C01I C015 C00Z C1AA -70.8(13) . . . . ?
C013 C015 C00Z C1AA 107.0(17) . . . . ?
C01I C015 C00Z C011 110.6(14) . . . . ?
C013 C015 C00Z C011 -71.6(17) . . . . ?
C011 C00Z C1AA C14 0.0 . . . . ?
C015 C00Z C1AA C14 -178.6(13) . . . . ?
C00Z C1AA C14 C01J 0.0 . . . . ?
C1AA C14 C01J C01D 0.0 . . . . ?
C1AA C14 C01J C9 -174.7(10) . . . . ?
C011 C01D C01J C14 0.0 . . . . ?
C011 C01D C01J C9 174.7(10) . . . . ?
C013 C015 C01I C00Y 0(2) . . . . ?
C00Z C015 C01I C00Y 178.1(12) . . . . ?
C00T C00Y C01I C015 -5(2) . . . . ?
C01L C00Y C01I C015 -179.5(14) . . . . ?
Zr03 O007 C9 O00I -9(2) . . . 3_655 ?
Zr03 O007 C9 C01J 168.8(7) . . . . ?
C14 C01J C9 O007 174.7(10) . . . . ?
C01D C01J C9 O007 0.0(17) . . . . ?
C14 C01J C9 O00I -7.1(15) . . . 3_655 ?
C01D C01J C9 O00I 178.2(9) . . . 3_655 ?
Zr01 O00F C3AA O00D -157.1(19) 2_675 . . . ?
Zr02 O00D C3AA O00F -169(2) . . . . ?
C01G C01H C0AA C2AA 151.5(17) . . . . ?
C017 C01H C0AA C2AA -40(4) . . . . ?
C2 C2 C4 C5 44(3) 2_655 . . . ?
C2 C2 C4 C2AA 174.4(18) 2_655 . . . ?
C2 C2 C4 C5A -42(3) 2_655 . . . ?
C01H C0AA C2AA C4 -173(2) . . . . ?
C2 C4 C2AA C0AA 177(2) . . . . ?
C5 C4 C2AA C0AA -55(3) . . . . ?
C5A C4 C2AA C0AA 34(3) . . . . ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.015 0.500 0.750 994 165 ' '
2 -0.019 0.500 0.250 994 165 ' '
3 0.250 0.000 0.098 143 24 ' '
4 0.250 0.000 0.598 143 24 ' '
5 0.150 0.234 0.401 10 0 ' '
6 0.150 0.766 0.901 10 0 ' '
7 0.250 0.500 0.476 28 1 ' '
8 0.250 0.500 0.976 28 1 ' '
9 0.350 0.234 0.901 10 0 ' '
10 0.350 0.766 0.401 10 0 ' '
11 0.750 0.000 0.400 140 24 ' '
12 0.750 0.000 0.900 140 24 ' '
13 0.650 0.234 0.599 10 0 ' '
14 0.650 0.766 0.099 10 0 ' '
15 0.750 0.500 0.524 28 1 ' '
16 0.750 0.500 0.024 28 1 ' '
17 0.850 0.234 0.099 10 0 ' '
18 0.850 0.766 0.599 10 0 ' '
