#------------------------------------------------------------------------------
#$Date: 2016-03-22 21:15:57 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179016 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/14/4121447.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_4121447
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         'F30 Na4 Ni U6'
_chemical_formula_sum            'F30 Na4 Ni U6'
_chemical_formula_weight         2148.85
_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     iterative
_atom_sites_solution_secondary   difmap
_audit_creation_date             2013-03-20
_audit_creation_method
;
  Olex2 1.2
  (compiled Dec  5 2012 16:17:34, GUI svn.r4385)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   9.8623(6)
_cell_length_b                   9.8623(6)
_cell_length_c                   13.0147(16)
_cell_measurement_reflns_used    4696
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      33.10
_cell_measurement_theta_min      2.38
_cell_volume                     1096.28(16)
_computing_cell_refinement       'SAINT v6.45A (Bruker, 2003)'
_computing_data_reduction        'SAINT v6.45A (Bruker, 2003)'
_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
;
olex2.solve (L.J. Bourhis, O.V. Dolomanov, R.J. Gildea, J.A.K. Howard,
H. Puschmann, in preparation, 2011)
;
_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  0.0582
_diffrn_reflns_av_unetI/netI     0.0238
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            20617
_diffrn_reflns_theta_full        33.17
_diffrn_reflns_theta_max         33.17
_diffrn_reflns_theta_min         2.38
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_current           37.0
_diffrn_source_power             1.739
_diffrn_source_target            Mo
_diffrn_source_voltage           47.0
_exptl_absorpt_coefficient_mu    45.313
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.311212
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS v.2.10 (Bruker,2003) was used for absorption correction.
R(int) was 0.1978 before and 0.0510 after correction.
The Ratio of minimum to maximum transmission is 0.3112.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            'light green'
_exptl_crystal_density_diffrn    6.510
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'hexagonal tablet'
_exptl_crystal_F_000             1788
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         7.773
_refine_diff_density_min         -2.189
_refine_diff_density_rms         0.534
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.161
_refine_ls_matrix_type           full
_refine_ls_number_parameters     66
_refine_ls_number_reflns         1404
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.161
_refine_ls_R_factor_all          0.0407
_refine_ls_R_factor_gt           0.0367
_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)+(0.0459P)²+22.4741P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0880
_refine_ls_wR_factor_ref         0.0898
_reflns_number_gt                1294
_reflns_number_total             1404
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja412725r_si_002.cif
_cod_data_source_block           Na4NiU6F30
_cod_database_code               4121447
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 0.39793(3) 0.32269(3) 0.39837(2) 0.00750(10) Uani 1 1 d .
Ni1 Ni 0.0000 0.0000 0.2500 0.0094(4) Uani 1 6 d S
Na1 Na 0.3333 0.6667 0.3408(4) 0.0103(10) Uani 1 3 d S
Na2 Na 0.0000 0.0000 0.5000 0.024(2) Uani 1 6 d S
Na3 Na 0.034(3) 0.336(3) 0.284(2) 0.025(5) Uiso 0.16667 1 d P
F1 F 0.3052(7) 0.4374(6) 0.2836(4) 0.0138(9) Uani 1 1 d .
F2 F 0.1888(6) 0.3096(6) 0.4795(4) 0.0109(8) Uani 1 1 d .
F3 F 0.5322(6) 0.4136(6) 0.5520(4) 0.0116(9) Uani 1 1 d .
F4 F 0.1884(6) 0.1040(6) 0.3392(4) 0.0132(9) Uani 1 1 d .
F5 F 0.5106(6) 0.1687(6) 0.3625(4) 0.0147(9) 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
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'
Ni Ni 0.3393 1.1124 '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 107.1(3) 6 2_665
Na3 U1 Na3 123.5(8) 3 2_665
Na3 U1 Na3 17.6(9) 3 6
F1 U1 Na3 67.2(4) 6 2_665
F1 U1 Na3 59.9(5) . 2_665
F1 U1 Na3 41.4(5) 6 6
F1 U1 Na3 90.4(5) . 6
F1 U1 Na3 58.9(5) 6 3
F1 U1 Na3 104.1(5) . 3
F1 U1 F1 61.4(2) . 6
F1 U1 F2 141.23(19) . 8_556
F1 U1 F3 111.59(17) 6 7_666
F1 U1 F3 67.54(17) . 7_666
F1 U1 F5 128.34(18) . .
F2 U1 Na3 118.9(5) . 6
F2 U1 Na3 156.5(5) 8_556 2_665
F2 U1 Na3 115.1(4) . 2_665
F2 U1 Na3 68.5(5) 8_556 3
F2 U1 Na3 86.1(4) 8_556 6
F2 U1 Na3 111.1(5) . 3
F2 U1 F1 127.33(18) 8_556 6
F2 U1 F1 128.85(17) . 6
F2 U1 F1 76.01(18) . .
F2 U1 F2 72.22(19) . 8_556
F2 U1 F3 72.46(17) . 7_666
F2 U1 F3 86.99(18) . .
F2 U1 F3 121.07(16) 8_556 7_666
F2 U1 F5 142.66(19) . 3_665
F2 U1 F5 140.64(18) . .
F3 U1 Na3 152.8(4) 7_666 6
F3 U1 Na3 137.0(5) . 6
F3 U1 Na3 170.3(5) 7_666 3
F3 U1 Na3 124.9(5) . 3
F3 U1 Na3 48.6(4) 7_666 2_665
F3 U1 Na3 88.6(5) . 2_665
F3 U1 F1 142.28(18) . 6
F3 U1 F1 130.96(17) . .
F3 U1 F2 69.01(17) . 8_556
F3 U1 F3 63.49(19) . 7_666
F3 U1 F5 93.36(18) . .
F4 U1 Na3 39.6(5) . 3
F4 U1 Na3 133.6(5) . 2_665
F4 U1 Na3 44.6(5) . 6
F4 U1 F1 72.53(19) . 6
F4 U1 F1 81.36(19) . .
F4 U1 F2 69.23(18) . 8_556
F4 U1 F2 74.40(18) . .
F4 U1 F3 137.72(18) . .
F4 U1 F3 138.85(18) . 7_666
F4 U1 F5 79.36(19) . .
F4 U1 F5 141.06(19) . 3_665
F5 U1 Na3 44.4(5) . 6
F5 U1 Na3 104.3(4) . 2_665
F5 U1 Na3 97.0(5) 3_665 6
F5 U1 Na3 40.2(5) . 3
F5 U1 Na3 106.2(5) 3_665 3
F5 U1 Na3 37.4(5) 3_665 2_665
F5 U1 F1 71.96(18) 3_665 6
F5 U1 F1 67.16(18) . 6
F5 U1 F1 95.24(19) 3_665 .
F5 U1 F2 71.28(18) . 8_556
F5 U1 F2 123.51(18) 3_665 8_556
F5 U1 F3 70.70(18) 3_665 7_666
F5 U1 F3 71.42(18) 3_665 .
F5 U1 F3 141.25(18) . 7_666
F5 U1 F5 72.6(3) 3_665 .
Na3 Ni1 Na3 110.2(10) 2 5
Na3 Ni1 Na3 118.1(2) 4 6
Na3 Ni1 Na3 110.2(9) . 6
Na3 Ni1 Na3 118.1(2) 4 5
Na3 Ni1 Na3 131.2(9) 3 5
Na3 Ni1 Na3 118.1(2) 6 5
Na3 Ni1 Na3 19.3(9) . 5
Na3 Ni1 Na3 131.2(9) . 4
Na3 Ni1 Na3 110.2(9) 4 3
Na3 Ni1 Na3 131.2(9) 2 6
Na3 Ni1 Na3 118.1(2) . 3
Na3 Ni1 Na3 118.1(2) 2 3
Na3 Ni1 Na3 19.3(9) 4 2
Na3 Ni1 Na3 118.1(2) . 2
Na3 Ni1 Na3 19.3(9) 6 3
F4 Ni1 Na3 96.2(5) 5 .
F4 Ni1 Na3 78.2(5) . .
F4 Ni1 Na3 139.9(5) 4 .
F4 Ni1 Na3 51.2(5) 6 .
F4 Ni1 Na3 44.9(5) 5 4
F4 Ni1 Na3 78.2(5) 2 2
F4 Ni1 Na3 131.8(5) 3 .
F4 Ni1 Na3 44.9(5) 2 .
F4 Ni1 Na3 139.9(5) . 4
F4 Ni1 Na3 131.8(5) 6 4
F4 Ni1 Na3 51.2(5) 3 4
F4 Ni1 Na3 131.8(5) . 2
F4 Ni1 Na3 96.2(5) 2 4
F4 Ni1 Na3 44.9(5) 3 2
F4 Ni1 Na3 78.2(5) 4 4
F4 Ni1 Na3 51.2(5) 5 2
F4 Ni1 Na3 96.2(5) 4 2
F4 Ni1 Na3 139.9(5) 6 2
F4 Ni1 Na3 78.2(5) 6 6
F4 Ni1 Na3 51.2(5) 2 5
F4 Ni1 Na3 139.9(5) 3 5
F4 Ni1 Na3 44.9(5) 6 5
F4 Ni1 Na3 51.2(5) . 6
F4 Ni1 Na3 96.2(5) 3 6
F4 Ni1 Na3 139.9(5) 2 6
F4 Ni1 Na3 131.8(5) 5 6
F4 Ni1 Na3 44.9(5) 4 6
F4 Ni1 Na3 139.9(5) 5 3
F4 Ni1 Na3 51.2(5) 4 3
F4 Ni1 Na3 96.2(5) 6 3
F4 Ni1 Na3 78.2(5) 3 3
F4 Ni1 Na3 44.9(5) . 3
F4 Ni1 Na3 131.8(5) 4 5
F4 Ni1 Na3 78.2(5) 5 5
F4 Ni1 Na3 131.8(5) 2 3
F4 Ni1 Na3 96.2(5) . 5
F4 Ni1 F4 89.3(2) 3 2
F4 Ni1 F4 94.7(3) 6 2
F4 Ni1 F4 174.4(3) 4 2
F4 Ni1 F4 86.9(3) 5 2
F4 Ni1 F4 89.3(2) . 2
F4 Ni1 F4 174.4(3) 6 3
F4 Ni1 F4 86.9(3) 4 3
F4 Ni1 F4 94.7(3) 5 3
F4 Ni1 F4 89.3(2) . 3
F4 Ni1 F4 89.3(2) 4 6
F4 Ni1 F4 89.3(2) 5 6
F4 Ni1 F4 86.9(3) . 6
F4 Ni1 F4 89.3(2) 5 4
F4 Ni1 F4 94.7(3) . 4
F4 Ni1 F4 174.4(3) . 5
U1 Na1 U1 116.26(5) 3_565 2_665
U1 Na1 U1 116.26(5) 2_665 .
U1 Na1 U1 116.26(5) 3_565 .
Na3 Na1 U1 61.2(5) 2_665 .
Na3 Na1 U1 67.6(5) . .
Na3 Na1 U1 176.1(5) 3_565 .
Na3 Na1 U1 176.1(5) 2_665 3_565
Na3 Na1 U1 61.2(5) . 3_565
Na3 Na1 U1 67.6(5) 3_565 3_565
Na3 Na1 U1 61.2(5) 3_565 2_665
Na3 Na1 U1 67.6(5) 2_665 2_665
Na3 Na1 U1 176.1(5) . 2_665
Na3 Na1 Na3 114.9(4) 3_565 2_665
Na3 Na1 Na3 114.9(4) . 2_665
Na3 Na1 Na3 114.9(4) 3_565 .
F1 Na1 U1 107.79(14) 2_665 .
F1 Na1 U1 135.91(15) . 2_665
F1 Na1 U1 135.91(15) 3_565 .
F1 Na1 U1 33.88(13) 2_665 2_665
F1 Na1 U1 33.88(13) . .
F1 Na1 U1 107.79(14) . 3_565
F1 Na1 U1 107.78(14) 3_565 2_665
F1 Na1 U1 33.88(13) 3_565 3_565
F1 Na1 U1 135.91(15) 2_665 3_565
F1 Na1 Na3 46.8(5) . .
F1 Na1 Na3 46.8(5) 3_565 3_565
F1 Na1 Na3 145.6(6) 2_665 .
F1 Na1 Na3 68.4(5) 3_565 .
F1 Na1 Na3 68.4(5) 2_665 3_565
F1 Na1 Na3 46.8(5) 2_665 2_665
F1 Na1 Na3 68.4(5) . 2_665
F1 Na1 Na3 145.6(6) . 3_565
F1 Na1 Na3 145.6(6) 3_565 2_665
F1 Na1 F1 109.71(18) 2_665 .
F1 Na1 F1 109.71(18) 3_565 .
F1 Na1 F1 109.71(18) 3_565 2_665
F1 Na1 F3 70.27(18) . 7_666
F1 Na1 F3 157.8(3) . 8_566
F1 Na1 F3 90.34(19) 2_665 7_666
F1 Na1 F3 157.8(3) 3_565 7_666
F1 Na1 F3 70.27(18) 2_665 8_566
F1 Na1 F3 70.27(18) 3_565 9_556
F1 Na1 F3 157.8(3) 2_665 9_556
F1 Na1 F3 90.33(19) 3_565 8_566
F1 Na1 F3 90.34(19) . 9_556
F3 Na1 U1 37.12(12) 9_556 3_565
F3 Na1 U1 83.36(14) 8_566 3_565
F3 Na1 U1 37.12(12) 8_566 2_665
F3 Na1 U1 124.0(2) 7_666 3_565
F3 Na1 U1 124.0(2) 9_556 2_665
F3 Na1 U1 124.0(2) 8_566 .
F3 Na1 U1 83.36(14) 7_666 2_665
F3 Na1 U1 37.12(12) 7_666 .
F3 Na1 U1 83.36(14) 9_556 .
F3 Na1 Na3 142.0(5) 9_556 2_665
F3 Na1 Na3 56.2(5) 7_666 2_665
F3 Na1 Na3 100.5(5) 7_666 .
F3 Na1 Na3 100.5(5) 8_566 2_665
F3 Na1 Na3 56.2(5) 9_556 .
F3 Na1 Na3 142.0(5) 7_666 3_565
F3 Na1 Na3 142.0(5) 8_566 .
F3 Na1 Na3 56.2(5) 8_566 3_565
F3 Na1 Na3 100.5(5) 9_556 3_565
F3 Na1 F3 87.6(2) 9_556 7_666
F3 Na1 F3 87.6(2) 8_566 7_666
F3 Na1 F3 87.6(2) 8_566 9_556
F2 Na2 F2 119.02(3) . 2
F2 Na2 F2 119.02(4) 3 2
F2 Na2 F2 60.98(3) 9_556 2
F2 Na2 F2 60.98(3) 7_556 2
F2 Na2 F2 60.98(4) 9_556 .
F2 Na2 F2 119.02(4) 3 .
F2 Na2 F2 180.0(2) 8_556 2
F2 Na2 F2 119.02(4) 9_556 8_556
F2 Na2 F2 119.02(3) 7_556 8_556
F2 Na2 F2 60.98(3) 3 8_556
F2 Na2 F2 60.98(3) . 8_556
F2 Na2 F2 180.000(1) 9_556 3
F2 Na2 F2 119.02(4) 9_556 7_556
F2 Na2 F2 60.98(4) 3 7_556
F2 Na2 F2 180.0 . 7_556
F4 Na2 F2 61.67(15) 9_556 9_556
F4 Na2 F2 106.25(16) . 9_556
F4 Na2 F2 118.33(15) 3 9_556
F4 Na2 F2 121.18(14) 8_556 9_556
F4 Na2 F2 118.33(15) 9_556 3
F4 Na2 F2 118.33(15) 7_556 .
F4 Na2 F2 58.82(14) 2 9_556
F4 Na2 F2 73.75(16) 7_556 9_556
F4 Na2 F2 73.75(16) . 3
F4 Na2 F2 58.82(14) 8_556 3
F4 Na2 F2 121.18(14) 2 3
F4 Na2 F2 61.67(15) . .
F4 Na2 F2 106.25(16) 7_556 3
F4 Na2 F2 73.75(16) 2 .
F4 Na2 F2 61.67(15) 3 3
F4 Na2 F2 58.82(15) 9_556 .
F4 Na2 F2 121.18(15) 3 .
F4 Na2 F2 106.25(16) 8_556 .
F4 Na2 F2 61.67(15) 7_556 7_556
F4 Na2 F2 73.75(16) 3 2
F4 Na2 F2 106.25(16) 9_556 2
F4 Na2 F2 121.18(14) . 2
F4 Na2 F2 106.25(16) 2 7_556
F4 Na2 F2 118.33(15) . 7_556
F4 Na2 F2 58.82(15) 3 7_556
F4 Na2 F2 121.18(15) 9_556 7_556
F4 Na2 F2 73.75(16) 8_556 7_556
F4 Na2 F2 58.82(14) . 8_556
F4 Na2 F2 121.18(14) 7_556 8_556
F4 Na2 F2 118.33(15) 2 8_556
F4 Na2 F2 61.67(15) 8_556 8_556
F4 Na2 F2 73.75(16) 9_556 8_556
F4 Na2 F2 58.82(14) 7_556 2
F4 Na2 F2 61.67(15) 2 2
F4 Na2 F2 106.25(16) 3 8_556
F4 Na2 F2 118.33(15) 8_556 2
F4 Na2 F4 116.20(17) 2 7_556
F4 Na2 F4 63.80(17) 8_556 7_556
F4 Na2 F4 116.20(17) 3 7_556
F4 Na2 F4 63.80(17) 9_556 7_556
F4 Na2 F4 180.000(1) . 7_556
F4 Na2 F4 180.00(14) 8_556 2
F4 Na2 F4 63.80(17) 3 2
F4 Na2 F4 116.20(17) 9_556 2
F4 Na2 F4 63.80(17) . 2
F4 Na2 F4 116.20(17) 3 8_556
F4 Na2 F4 63.80(17) 9_556 8_556
F4 Na2 F4 116.20(17) . 8_556
F4 Na2 F4 180.0 9_556 3
F4 Na2 F4 63.80(17) . 3
F4 Na2 F4 116.20(17) . 9_556
U1 Na3 U1 147.9(9) 2 6
U1 Na3 U1 78.6(5) 2 3_565
U1 Na3 U1 131.2(8) 6 3_565
Ni1 Na3 U1 75.6(6) . 2
Ni1 Na3 U1 153.7(9) . 3_565
Ni1 Na3 U1 75.1(6) . 6
Ni1 Na3 Na1 131.0(8) . .
Na1 Na3 U1 67.9(5) . 3_565
Na1 Na3 U1 136.8(9) . 2
Na1 Na3 U1 74.0(6) . 6
Na3 Na3 U1 79(3) 5 6
Na3 Na3 U1 83(3) 5 2
Na3 Na3 U1 101.6(14) 5 3_565
Na3 Na3 Ni1 80.3(5) 5 .
Na3 Na3 Na1 129(2) 5 .
Na3 Na3 F1 123(3) 5 .
Na3 Na3 F3 143.3(13) 5 9_556
Na3 Na3 F4 88.8(19) 5 2
Na3 Na3 F4 65.7(18) 5 6
Na3 Na3 F5 67(2) 5 6
Na3 Na3 F5 88(3) 5 2
F1 Na3 U1 146.6(11) . 2
F1 Na3 U1 112.5(10) . 3_565
F1 Na3 U1 43.2(5) . 6
F1 Na3 Ni1 87.1(8) . .
F1 Na3 Na1 44.9(5) . .
F1 Na3 F3 79.7(8) . 9_556
F1 Na3 F4 69.9(7) . 6
F1 Na3 F5 66.3(7) . 6
F3 Na3 U1 42.0(4) 9_556 3_565
F3 Na3 U1 91.6(8) 9_556 2
F3 Na3 U1 118.2(9) 9_556 6
F3 Na3 Ni1 133.4(10) 9_556 .
F3 Na3 Na1 45.2(4) 9_556 .
F4 Na3 U1 113.3(10) 2 6
F4 Na3 U1 163.8(11) 6 3_565
F4 Na3 U1 39.3(5) 2 2
F4 Na3 U1 39.5(4) 6 6
F4 Na3 U1 108.5(9) 6 2
F4 Na3 U1 115.5(10) 2 3_565
F4 Na3 Ni1 38.6(4) 6 .
F4 Na3 Ni1 38.2(5) 2 .
F4 Na3 Na1 111.2(9) 6 .
F4 Na3 Na1 141.9(11) 2 .
F4 Na3 F1 113.9(11) 2 .
F4 Na3 F3 109.6(11) 2 9_556
F4 Na3 F3 148.2(11) 6 9_556
F4 Na3 F4 75.8(9) 2 6
F4 Na3 F5 80.3(9) 2 2
F4 Na3 F5 145.8(13) 2 6
F5 Na3 U1 146.7(10) 6 2
F5 Na3 U1 160.7(11) 2 6
F5 Na3 U1 41.4(4) 6 6
F5 Na3 U1 37.9(5) 2 3_565
F5 Na3 U1 93.5(8) 6 3_565
F5 Na3 U1 41.5(5) 2 2
F5 Na3 Ni1 117.0(11) 2 .
F5 Na3 Ni1 111.0(9) 6 .
F5 Na3 Na1 104.2(10) 2 .
F5 Na3 Na1 64.3(7) 6 .
F5 Na3 F1 145.4(13) 2 .
F5 Na3 F3 65.8(7) 2 9_556
F5 Na3 F3 104.0(10) 6 9_556
F5 Na3 F4 144.1(13) 2 6
F5 Na3 F4 72.4(8) 6 6
F5 Na3 F5 120.0(12) 2 6
U1 F1 U1 118.3(2) . 6
U1 F1 Na3 115.6(7) . .
Na1 F1 U1 113.2(2) . .
Na1 F1 U1 120.0(3) . 6
Na1 F1 Na3 88.3(7) . .
Na3 F1 U1 95.4(7) . 6
U1 F2 U1 152.2(2) . 9_556
U1 F2 Na2 101.88(17) . .
U1 F2 Na2 99.60(16) 9_556 .
U1 F3 U1 116.51(19) . 7_666
U1 F3 Na1 134.5(2) . 7_666
U1 F3 Na3 111.5(6) . 8_556
U1 F3 Na3 89.4(6) 7_666 8_556
Na1 F3 U1 107.6(2) 7_666 7_666
Na1 F3 Na3 78.6(6) 7_666 8_556
U1 F4 Na2 103.38(19) . .
U1 F4 Na3 101.1(7) . 3
U1 F4 Na3 95.9(7) . 6
Ni1 F4 U1 150.3(3) . .
Ni1 F4 Na2 88.14(18) . .
Ni1 F4 Na3 90.3(7) . 6
Ni1 F4 Na3 96.9(7) . 3
Na3 F4 Na2 118.6(7) 3 .
Na3 F4 Na2 143.2(6) 6 .
U1 F5 U1 152.7(3) 2_655 .
U1 F5 Na3 94.2(6) . 6
U1 F5 Na3 112.9(6) 2_655 6
Na3 F5 U1 98.3(7) 3 .
Na3 F5 U1 104.7(7) 3 2_655
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U1 F1 2.320(5) .
U1 F1 2.420(5) 6
U1 F2 2.349(5) 8_556
U1 F2 2.262(5) .
U1 F3 2.317(5) .
U1 F3 2.422(5) 7_666
U1 F4 2.249(5) .
U1 F5 2.299(5) 3_665
U1 F5 2.334(5) .
Ni1 F4 1.986(5) 2
Ni1 F4 1.986(5) 3
Ni1 F4 1.986(5) 6
Ni1 F4 1.986(5) 4
Ni1 F4 1.986(5) 5
Ni1 F4 1.986(5) .
Na1 Na3 3.20(3) 2_665
Na1 Na3 3.20(3) .
Na1 Na3 3.20(3) 3_565
Na1 F1 2.262(5) .
Na1 F1 2.262(5) 3_565
Na1 F1 2.262(6) 2_665
Na1 F3 2.320(6) 9_556
Na1 F3 2.320(6) 8_566
Na1 F3 2.320(6) 7_666
Na2 F2 2.679(5) 2
Na2 F2 2.679(5) 8_556
Na2 F2 2.679(5) 7_556
Na2 F2 2.679(5) .
Na2 F2 2.679(5) 3
Na2 F2 2.679(5) 9_556
Na2 F4 2.642(5) 7_556
Na2 F4 2.642(5) 2
Na2 F4 2.642(5) 8_556
Na2 F4 2.642(5) 3
Na2 F4 2.642(5) 9_556
Na2 F4 2.642(5) .
Na3 Na3 1.07(5) 5
Na3 F1 2.34(3) .
Na3 F3 2.71(3) 9_556
Na3 F4 2.48(3) 6
Na3 F4 2.26(3) 2
Na3 F5 2.47(3) 6
Na3 F5 2.27(3) 2
F1 U1 2.420(5) 6
F2 U1 2.349(5) 9_556
F3 U1 2.422(5) 7_666
F3 Na1 2.320(6) 7_666
F3 Na3 2.71(3) 8_556
F4 Na3 2.26(3) 3
F4 Na3 2.48(3) 6
F5 U1 2.299(5) 2_655
F5 Na3 2.47(3) 6
F5 Na3 2.27(3) 3
