#------------------------------------------------------------------------------
#$Date: 2016-03-22 21:15:57 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179016 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/14/4121448.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_4121448
loop_
_publ_author_name
'Yeon, Jeongho'
'Smith, Mark D.'
'Tapp, Joshua'
'Möller, Angela'
'Zur Loye, Hans-Conrad'
_publ_section_title
;
 Application of a Mild Hydrothermal Approach Containing an in Situ
 Reduction Step to the Growth of Single Crystals of the Quaternary
 U(IV)-Containing Fluorides Na4MU6F30 (M = Mn(2+), Co(2+), Ni(2+), Cu(2+),
 and Zn(2+)) Crystal Growth, Structures, and Magnetic Properties.
;
_journal_issue                   10
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3955
_journal_page_last               3963
_journal_paper_doi               10.1021/ja412725r
_journal_volume                  136
_journal_year                    2014
_chemical_formula_moiety         'Cu F30 Na4 U6'
_chemical_formula_sum            'Cu F30 Na4 U6'
_chemical_formula_weight         2153.68
_chemical_name_systematic
;
 ? 
;
_space_group_crystal_system      trigonal
_space_group_IT_number           165
_space_group_name_Hall           '-P 3 2"c'
_space_group_name_H-M_alt        'P -3 c 1'
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2012-10-03
_audit_creation_method
;
  Olex2 1.2
  (compiled May  9 2012 12:37:22, GUI svn.r4230)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   9.8826(3)
_cell_length_b                   9.8826(3)
_cell_length_c                   13.0106(8)
_cell_measurement_reflns_used    6864
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      38.57
_cell_measurement_theta_min      2.38
_cell_volume                     1100.45(8)
_computing_cell_refinement       'SAINT-Plus Version 6.45 (Bruker, 2001)'
_computing_data_collection       'SMART Version 5.625 (Bruker, 2001)'
_computing_data_reduction        'SAINT-Plus Version 6.45 (Bruker, 2001)'
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
SHELXL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution
;
SHELXS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0495
_diffrn_reflns_av_unetI/netI     0.0217
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            23913
_diffrn_reflns_theta_full        35.63
_diffrn_reflns_theta_max         35.63
_diffrn_reflns_theta_min         2.38
_diffrn_source                   'sealed tube'
_diffrn_source_current           39.0
_diffrn_source_power             1.833
_diffrn_source_target            Mo
_diffrn_source_voltage           47.0
_exptl_absorpt_coefficient_mu    45.252
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.372229
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS v.2.10 (Bruker,2003) was used for absorption correction.
R(int) was 0.1062 before and 0.0466 after correction.
The Ratio of minimum to maximum transmission is 0.3722.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            'light green'
_exptl_crystal_density_diffrn    6.500
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'hexagonal prism'
_exptl_crystal_F_000             1790
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.852
_refine_diff_density_min         -2.555
_refine_diff_density_rms         0.455
_refine_ls_extinction_coef       0.00049(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.225
_refine_ls_matrix_type           full
_refine_ls_number_parameters     67
_refine_ls_number_reflns         1702
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.225
_refine_ls_R_factor_all          0.0327
_refine_ls_R_factor_gt           0.0299
_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)+(0.0347P)²+7.9907P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0702
_refine_ls_wR_factor_ref         0.0713
_reflns_number_gt                1606
_reflns_number_total             1702
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja412725r_si_002.cif
_cod_data_source_block           Na4CuU6F30
_cod_database_code               4121448
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-y, x-y, z'
3 '-x+y, -x, z'
4 'x-y, -y, -z+1/2'
5 '-x, -x+y, -z+1/2'
6 'y, x, -z+1/2'
7 '-x, -y, -z'
8 'y, -x+y, -z'
9 'x-y, x, -z'
10 '-x+y, y, z-1/2'
11 'x, x-y, z-1/2'
12 '-y, -x, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
U1 U 0.39835(2) 0.32323(2) 0.398399(14) 0.00628(7) Uani 1 1 d .
Cu1 Cu 0.0000 0.0000 0.2500 0.0076(3) Uani 1 6 d S
Na1 Na 0.3333 0.6667 0.3412(3) 0.0106(7) Uani 1 3 d S
Na2 Na 0.0000 0.0000 0.5000 0.0186(12) Uani 1 6 d S
Na3 Na 0.037(2) 0.336(2) 0.2851(13) 0.019(3) Uiso 0.17 1 d P
F1 F 0.3068(4) 0.4386(4) 0.2832(3) 0.0113(6) Uani 1 1 d .
F2 F 0.1899(4) 0.3108(4) 0.4805(3) 0.0117(6) Uani 1 1 d .
F3 F 0.5323(4) 0.4141(4) 0.5518(3) 0.0105(6) Uani 1 1 d .
F4 F 0.1879(4) 0.1051(4) 0.3404(3) 0.0146(7) Uani 1 1 d .
F5 F 0.5112(4) 0.1692(4) 0.3625(3) 0.0122(6) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 '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
Na3 U1 Na3 107.30(18) 6 2_665
Na3 U1 Na3 124.4(5) 3 2_665
Na3 U1 Na3 18.2(5) 3 6
F1 U1 Na3 67.3(3) 6 2_665
F1 U1 Na3 59.5(3) . 2_665
F1 U1 Na3 41.3(3) 6 6
F1 U1 Na3 90.1(3) . 6
F1 U1 Na3 59.5(3) 6 3
F1 U1 Na3 104.3(3) . 3
F1 U1 F1 61.28(15) . 6
F1 U1 F2 141.62(13) . 8_556
F1 U1 F3 111.48(12) 6 7_666
F1 U1 F3 67.46(12) . 7_666
F1 U1 F5 128.30(12) . .
F2 U1 Na3 119.2(3) . 6
F2 U1 Na3 156.6(3) 8_556 2_665
F2 U1 Na3 114.6(3) . 2_665
F2 U1 Na3 67.7(3) 8_556 3
F2 U1 Na3 85.9(3) 8_556 6
F2 U1 Na3 110.9(3) . 3
F2 U1 F1 127.10(12) 8_556 6
F2 U1 F1 129.24(12) . 6
F2 U1 F1 76.37(12) . .
F2 U1 F2 72.53(13) . 8_556
F2 U1 F3 72.20(12) . 7_666
F2 U1 F3 86.72(13) . .
F2 U1 F3 121.40(12) 8_556 7_666
F2 U1 F5 142.63(13) . 3_665
F2 U1 F5 140.72(13) . .
F3 U1 Na3 152.6(3) 7_666 6
F3 U1 Na3 137.3(3) . 6
F3 U1 Na3 170.7(3) 7_666 3
F3 U1 Na3 124.9(3) . 3
F3 U1 Na3 48.3(3) 7_666 2_665
F3 U1 Na3 88.4(3) . 2_665
F3 U1 F1 142.05(12) . 6
F3 U1 F1 130.81(12) . .
F3 U1 F2 69.32(12) . 8_556
F3 U1 F3 63.41(13) . 7_666
F3 U1 F5 93.34(12) . .
F4 U1 Na3 39.7(3) . 3
F4 U1 Na3 134.1(3) . 2_665
F4 U1 Na3 45.1(3) . 6
F4 U1 F1 73.24(13) . 6
F4 U1 F1 81.58(13) . .
F4 U1 F2 68.80(13) . 8_556
F4 U1 F2 74.14(13) . .
F4 U1 F3 137.47(13) . .
F4 U1 F3 138.47(12) . 7_666
F4 U1 F5 79.79(13) . .
F4 U1 F5 141.48(13) . 3_665
F5 U1 Na3 44.7(3) . 6
F5 U1 Na3 104.7(3) . 2_665
F5 U1 Na3 96.8(3) 3_665 6
F5 U1 Na3 40.5(3) . 3
F5 U1 Na3 106.5(3) 3_665 3
F5 U1 Na3 37.8(3) 3_665 2_665
F5 U1 F1 71.71(12) 3_665 6
F5 U1 F1 67.23(12) . 6
F5 U1 F1 95.14(13) 3_665 .
F5 U1 F2 70.86(12) . 8_556
F5 U1 F2 123.23(13) 3_665 8_556
F5 U1 F3 70.97(12) 3_665 7_666
F5 U1 F3 71.37(13) 3_665 .
F5 U1 F3 141.27(12) . 7_666
F5 U1 F5 72.35(18) 3_665 .
Na3 Cu1 Na3 117.98(15) 3 .
Na3 Cu1 Na3 132.1(6) 2 6
Na3 Cu1 Na3 117.98(15) 4 6
Na3 Cu1 Na3 117.98(15) 2 .
Na3 Cu1 Na3 20.1(6) 5 .
Na3 Cu1 Na3 109.3(6) 6 .
Na3 Cu1 Na3 132.1(6) 4 .
Na3 Cu1 Na3 20.1(6) 4 2
Na3 Cu1 Na3 109.3(6) 2 5
Na3 Cu1 Na3 20.1(6) 3 6
Na3 Cu1 Na3 117.98(15) 4 5
Na3 Cu1 Na3 132.1(6) 3 5
Na3 Cu1 Na3 117.98(15) 2 3
Na3 Cu1 Na3 109.3(6) 4 3
Na3 Cu1 Na3 117.98(15) 6 5
F4 Cu1 Na3 77.3(3) 4 4
F4 Cu1 Na3 45.6(3) 5 4
F4 Cu1 Na3 131.7(3) 6 4
F4 Cu1 Na3 51.6(3) 3 4
F4 Cu1 Na3 96.4(3) 4 2
F4 Cu1 Na3 45.6(3) . 3
F4 Cu1 Na3 96.4(3) 2 4
F4 Cu1 Na3 139.8(3) . 4
F4 Cu1 Na3 51.6(3) 5 2
F4 Cu1 Na3 45.6(3) 3 2
F4 Cu1 Na3 77.3(3) 2 2
F4 Cu1 Na3 139.8(3) 5 3
F4 Cu1 Na3 131.7(3) . 2
F4 Cu1 Na3 131.7(3) 2 3
F4 Cu1 Na3 139.8(3) 6 2
F4 Cu1 Na3 51.6(3) 4 3
F4 Cu1 Na3 96.4(3) 6 3
F4 Cu1 Na3 77.3(3) 3 3
F4 Cu1 Na3 96.4(3) 3 6
F4 Cu1 Na3 77.3(3) . .
F4 Cu1 Na3 45.6(3) 2 .
F4 Cu1 Na3 131.7(3) 3 .
F4 Cu1 Na3 131.7(3) 5 6
F4 Cu1 Na3 139.8(3) 2 6
F4 Cu1 Na3 51.6(3) . 6
F4 Cu1 Na3 45.6(3) 4 6
F4 Cu1 Na3 77.3(3) 6 6
F4 Cu1 Na3 131.7(3) 4 5
F4 Cu1 Na3 45.6(3) 6 5
F4 Cu1 Na3 139.8(3) 3 5
F4 Cu1 Na3 51.6(3) 2 5
F4 Cu1 Na3 77.3(3) 5 5
F4 Cu1 Na3 51.6(3) 6 .
F4 Cu1 Na3 139.8(3) 4 .
F4 Cu1 Na3 96.4(3) . 5
F4 Cu1 Na3 96.4(3) 5 .
F4 Cu1 F4 88.80(16) 2 .
F4 Cu1 F4 88.80(16) 3 .
F4 Cu1 F4 87.0(2) 6 .
F4 Cu1 F4 95.8(2) 4 .
F4 Cu1 F4 173.7(2) 5 .
F4 Cu1 F4 88.80(16) 3 2
F4 Cu1 F4 95.8(2) 6 2
F4 Cu1 F4 173.7(2) 4 2
F4 Cu1 F4 87.0(2) 5 2
F4 Cu1 F4 173.7(2) 6 3
F4 Cu1 F4 87.0(2) 4 3
F4 Cu1 F4 95.8(2) 5 3
F4 Cu1 F4 88.80(16) 4 6
F4 Cu1 F4 88.80(16) 5 6
F4 Cu1 F4 88.80(16) 5 4
U1 Na1 U1 116.32(4) 3_565 2_665
U1 Na1 U1 116.32(4) 2_665 .
U1 Na1 U1 116.32(4) 3_565 .
Na3 Na1 U1 61.5(3) 2_665 .
Na3 Na1 U1 67.2(3) . .
Na3 Na1 U1 176.4(3) 3_565 .
Na3 Na1 U1 176.4(3) 2_665 3_565
Na3 Na1 U1 61.5(3) . 3_565
Na3 Na1 U1 67.2(3) 3_565 3_565
Na3 Na1 U1 61.5(3) 3_565 2_665
Na3 Na1 U1 67.2(3) 2_665 2_665
Na3 Na1 U1 176.4(3) . 2_665
Na3 Na1 Na3 115.0(2) 3_565 2_665
Na3 Na1 Na3 115.0(2) . 2_665
Na3 Na1 Na3 115.0(2) 3_565 .
F1 Na1 U1 108.07(9) 2_665 .
F1 Na1 U1 135.59(10) . 2_665
F1 Na1 U1 135.59(10) 3_565 .
F1 Na1 U1 33.88(9) 2_665 2_665
F1 Na1 U1 33.88(9) . .
F1 Na1 U1 108.07(9) . 3_565
F1 Na1 U1 108.07(9) 3_565 2_665
F1 Na1 U1 33.88(9) 3_565 3_565
F1 Na1 U1 135.59(10) 2_665 3_565
F1 Na1 Na3 46.8(3) . .
F1 Na1 Na3 46.8(3) 3_565 3_565
F1 Na1 Na3 145.4(4) 2_665 .
F1 Na1 Na3 68.5(3) 3_565 .
F1 Na1 Na3 68.5(3) 2_665 3_565
F1 Na1 Na3 46.8(3) 2_665 2_665
F1 Na1 Na3 68.5(3) . 2_665
F1 Na1 Na3 145.4(4) . 3_565
F1 Na1 Na3 145.4(4) 3_565 2_665
F1 Na1 F1 109.48(13) 2_665 .
F1 Na1 F1 109.48(13) 3_565 .
F1 Na1 F1 109.48(13) 3_565 2_665
F1 Na1 F3 70.07(12) . 7_666
F1 Na1 F3 157.86(18) . 8_566
F1 Na1 F3 90.77(13) 2_665 7_666
F1 Na1 F3 157.86(19) 3_565 7_666
F1 Na1 F3 70.07(12) 2_665 8_566
F1 Na1 F3 70.07(12) 3_565 9_556
F1 Na1 F3 157.86(18) 2_665 9_556
F1 Na1 F3 90.77(13) 3_565 8_566
F1 Na1 F3 90.77(13) . 9_556
F3 Na1 U1 36.97(8) 9_556 3_565
F3 Na1 U1 83.58(10) 8_566 3_565
F3 Na1 U1 36.97(9) 8_566 2_665
F3 Na1 U1 124.15(14) 7_666 3_565
F3 Na1 U1 124.15(15) 9_556 2_665
F3 Na1 U1 124.15(14) 8_566 .
F3 Na1 U1 83.58(10) 7_666 2_665
F3 Na1 U1 36.97(8) 7_666 .
F3 Na1 U1 83.58(10) 9_556 .
F3 Na1 Na3 142.4(3) 9_556 2_665
F3 Na1 Na3 56.2(3) 7_666 2_665
F3 Na1 Na3 100.0(3) 7_666 .
F3 Na1 Na3 100.0(3) 8_566 2_665
F3 Na1 Na3 56.2(3) 9_556 .
F3 Na1 Na3 142.4(3) 7_666 3_565
F3 Na1 Na3 142.4(3) 8_566 .
F3 Na1 Na3 56.2(3) 8_566 3_565
F3 Na1 Na3 100.0(3) 9_556 3_565
F3 Na1 F3 87.80(17) 9_556 7_666
F3 Na1 F3 87.80(17) 8_566 7_666
F3 Na1 F3 87.80(17) 8_566 9_556
F2 Na2 F2 119.12(2) 2 .
F2 Na2 F2 60.88(2) 8_556 .
F2 Na2 F2 180.00(14) 7_556 .
F2 Na2 F2 60.88(2) 9_556 .
F2 Na2 F2 60.88(2) 7_556 2
F2 Na2 F2 180.0 8_556 2
F2 Na2 F2 119.12(2) 3 .
F2 Na2 F2 60.88(2) 7_556 3
F2 Na2 F2 180.000(1) 9_556 3
F2 Na2 F2 60.88(2) 8_556 3
F2 Na2 F2 119.12(2) 2 3
F2 Na2 F2 119.12(2) 7_556 8_556
F2 Na2 F2 119.12(2) 7_556 9_556
F2 Na2 F2 119.12(2) 8_556 9_556
F2 Na2 F2 60.88(2) 2 9_556
F4 Na2 F2 121.60(11) 9_556 7_556
F4 Na2 F2 118.47(11) . 7_556
F4 Na2 F2 58.40(11) 3 7_556
F4 Na2 F2 74.27(11) 8_556 7_556
F4 Na2 F2 74.27(11) 9_556 8_556
F4 Na2 F2 58.40(11) 7_556 2
F4 Na2 F2 105.73(11) 2 7_556
F4 Na2 F2 61.53(11) 7_556 7_556
F4 Na2 F2 58.40(11) . 8_556
F4 Na2 F2 61.53(11) 8_556 8_556
F4 Na2 F2 118.47(11) 2 8_556
F4 Na2 F2 121.60(11) . 2
F4 Na2 F2 121.60(11) 7_556 8_556
F4 Na2 F2 61.53(11) 2 2
F4 Na2 F2 105.73(11) 3 8_556
F4 Na2 F2 105.73(11) 9_556 2
F4 Na2 F2 74.27(11) 3 2
F4 Na2 F2 118.47(11) 8_556 2
F4 Na2 F2 74.27(11) 7_556 9_556
F4 Na2 F2 121.60(11) 3 .
F4 Na2 F2 58.40(11) 9_556 .
F4 Na2 F2 61.53(11) . .
F4 Na2 F2 58.40(11) 2 9_556
F4 Na2 F2 105.73(11) . 9_556
F4 Na2 F2 118.47(11) 3 9_556
F4 Na2 F2 61.53(11) 9_556 9_556
F4 Na2 F2 121.60(11) 8_556 9_556
F4 Na2 F2 74.27(11) . 3
F4 Na2 F2 105.73(11) 7_556 3
F4 Na2 F2 121.60(11) 2 3
F4 Na2 F2 58.40(11) 8_556 3
F4 Na2 F2 118.47(11) 9_556 3
F4 Na2 F2 118.47(11) 7_556 .
F4 Na2 F2 74.27(11) 2 .
F4 Na2 F2 61.53(11) 3 3
F4 Na2 F2 105.73(11) 8_556 .
F4 Na2 F4 115.87(14) 2 7_556
F4 Na2 F4 64.13(14) 8_556 7_556
F4 Na2 F4 115.87(14) 3 7_556
F4 Na2 F4 64.13(14) 9_556 7_556
F4 Na2 F4 180.0 . 7_556
F4 Na2 F4 180.00(11) 8_556 2
F4 Na2 F4 64.13(13) 3 2
F4 Na2 F4 115.87(14) 9_556 2
F4 Na2 F4 64.13(13) . 2
F4 Na2 F4 115.87(13) 3 8_556
F4 Na2 F4 64.13(13) 9_556 8_556
F4 Na2 F4 115.87(14) . 8_556
F4 Na2 F4 180.0 9_556 3
F4 Na2 F4 64.13(13) . 3
F4 Na2 F4 115.87(14) . 9_556
U1 Na3 U1 147.8(6) 2 6
U1 Na3 U1 78.3(3) 2 3_565
U1 Na3 U1 131.2(5) 6 3_565
Cu1 Na3 U1 75.5(4) . 2
Cu1 Na3 U1 153.3(6) . 3_565
Cu1 Na3 U1 75.4(4) . 6
Cu1 Na3 Na1 131.9(5) . .
Na1 Na3 U1 67.9(3) . 3_565
Na1 Na3 U1 136.9(6) . 2
Na1 Na3 U1 74.4(4) . 6
Na3 Na3 U1 80.8(17) 5 6
Na3 Na3 U1 81.0(17) 5 2
Na3 Na3 U1 100.5(9) 5 3_565
Na3 Na3 Cu1 79.9(3) 5 .
Na3 Na3 Na1 129.8(14) 5 .
Na3 Na3 F1 124(2) 5 .
Na3 Na3 F3 142.1(8) 5 9_556
Na3 Na3 F4 87.4(12) 5 2
Na3 Na3 F4 66.2(11) 5 6
Na3 Na3 F5 67.9(15) 5 6
Na3 Na3 F5 85.5(16) 5 2
F1 Na3 U1 147.5(7) . 2
F1 Na3 U1 112.7(6) . 3_565
F1 Na3 U1 43.2(3) . 6
F1 Na3 Cu1 87.8(5) . .
F1 Na3 Na1 45.1(3) . .
F1 Na3 F3 80.4(5) . 9_556
F1 Na3 F4 70.4(5) . 6
F1 Na3 F5 66.4(5) . 6
F3 Na3 U1 41.7(3) 9_556 3_565
F3 Na3 U1 91.5(5) 9_556 2
F3 Na3 U1 118.8(6) 9_556 6
F3 Na3 Cu1 134.2(6) 9_556 .
F3 Na3 Na1 45.4(3) 9_556 .
F4 Na3 U1 113.9(6) 2 6
F4 Na3 U1 163.1(7) 6 3_565
F4 Na3 U1 38.9(3) 2 2
F4 Na3 U1 39.6(3) 6 6
F4 Na3 U1 108.4(6) 6 2
F4 Na3 U1 114.9(6) 2 3_565
F4 Na3 Cu1 38.8(3) 6 .
F4 Na3 Cu1 38.5(3) 2 .
F4 Na3 Na1 111.8(6) 6 .
F4 Na3 Na1 142.6(7) 2 .
F4 Na3 F1 115.0(7) 2 .
F4 Na3 F3 109.7(7) 2 9_556
F4 Na3 F3 149.4(7) 6 9_556
F4 Na3 F4 76.2(6) 2 6
F4 Na3 F5 79.8(6) 2 2
F4 Na3 F5 146.0(8) 2 6
F5 Na3 U1 145.7(6) 6 2
F5 Na3 U1 159.9(7) 2 6
F5 Na3 U1 41.7(3) 6 6
F5 Na3 U1 37.8(3) 2 3_565
F5 Na3 U1 93.1(5) 6 3_565
F5 Na3 U1 41.3(3) 2 2
F5 Na3 Cu1 116.6(7) 2 .
F5 Na3 Cu1 111.3(6) 6 .
F5 Na3 Na1 104.1(6) 2 .
F5 Na3 Na1 64.5(4) 6 .
F5 Na3 F1 146.0(8) 2 .
F5 Na3 F3 65.7(4) 2 9_556
F5 Na3 F3 104.0(6) 6 9_556
F5 Na3 F4 143.3(8) 2 6
F5 Na3 F4 72.6(5) 6 6
F5 Na3 F5 119.1(7) 2 6
U1 F1 U1 118.40(14) . 6
U1 F1 Na3 114.9(5) . .
Na1 F1 U1 113.21(17) . .
Na1 F1 U1 120.41(17) . 6
Na1 F1 Na3 88.1(5) . .
Na3 F1 U1 95.5(4) . 6
U1 F2 U1 152.87(17) . 9_556
U1 F2 Na2 101.67(12) . .
U1 F2 Na2 99.64(12) 9_556 .
U1 F3 U1 116.59(13) . 7_666
U1 F3 Na1 134.25(17) . 7_666
U1 F3 Na3 111.2(4) . 8_556
U1 F3 Na3 90.0(4) 7_666 8_556
Na1 F3 U1 107.73(14) 7_666 7_666
Na1 F3 Na3 78.4(4) 7_666 8_556
U1 F4 Na2 104.19(15) . .
U1 F4 Na3 101.3(4) . 3
U1 F4 Na3 95.3(4) . 6
Cu1 F4 U1 150.5(2) . .
Cu1 F4 Na2 88.30(13) . .
Cu1 F4 Na3 89.6(4) . 6
Cu1 F4 Na3 95.9(5) . 3
Na3 F4 Na2 117.8(4) 3 .
Na3 F4 Na2 143.4(4) 6 .
U1 F5 U1 152.87(18) 2_655 .
U1 F5 Na3 104.4(5) 2_655 3
U1 F5 Na3 93.6(4) . 6
U1 F5 Na3 113.3(4) 2_655 6
Na3 F5 U1 98.3(5) 3 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U1 F1 2.323(3) .
U1 F1 2.415(3) 6
U1 F2 2.345(3) 8_556
U1 F2 2.268(3) .
U1 F3 2.314(3) .
U1 F3 2.418(3) 7_666
U1 F4 2.250(4) .
U1 F5 2.298(3) 3_665
U1 F5 2.340(3) .
Cu1 Na3 3.187(18) .
Cu1 Na3 3.186(18) 5
Cu1 Na3 3.186(18) 6
Cu1 Na3 3.186(18) 3
Cu1 Na3 3.186(18) 2
Cu1 Na3 3.186(18) 4
Cu1 F4 1.995(4) .
Cu1 F4 1.995(4) 2
Cu1 F4 1.995(4) 3
Cu1 F4 1.995(4) 6
Cu1 F4 1.995(4) 4
Cu1 F4 1.995(4) 5
Na1 Na3 3.196(18) 2_665
Na1 Na3 3.196(18) .
Na1 Na3 3.196(18) 3_565
Na1 F1 2.264(4) .
Na1 F1 2.264(4) 3_565
Na1 F1 2.264(4) 2_665
Na1 F3 2.323(4) 9_556
Na1 F3 2.323(4) 8_566
Na1 F3 2.323(4) 7_666
Na2 F2 2.694(4) .
Na2 F2 2.694(4) 3
Na2 F2 2.694(4) 9_556
Na2 F2 2.694(4) 2
Na2 F2 2.694(4) 8_556
Na2 F2 2.694(4) 7_556
Na2 F4 2.629(4) 7_556
Na2 F4 2.629(4) 2
Na2 F4 2.629(4) 8_556
Na2 F4 2.629(4) 3
Na2 F4 2.629(4) 9_556
Na2 F4 2.629(4) .
Na3 Na3 1.11(3) 5
Na3 F1 2.331(17) .
Na3 F3 2.711(18) 9_556
Na3 F4 2.499(18) 6
Na3 F4 2.288(19) 2
Na3 F5 2.476(18) 6
Na3 F5 2.301(17) 2
F1 U1 2.415(3) 6
F2 U1 2.345(3) 9_556
F3 U1 2.418(3) 7_666
F3 Na1 2.323(4) 7_666
F3 Na3 2.711(18) 8_556
F4 Na3 2.288(19) 3
F4 Na3 2.499(18) 6
F5 U1 2.298(3) 2_655
F5 Na3 2.301(17) 3
F5 Na3 2.476(18) 6
