#------------------------------------------------------------------------------
#$Date: 2016-03-21 01:21:50 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178377 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/17/4001794.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_4001794
loop_
_publ_author_name
'Luo, Min'
'Ye, Ning'
'Zou, Guohong'
'Lin, Chensheng'
'Cheng, Wendan'
_publ_section_title
;
 Na8Lu2(CO3)6F2and Na3Lu(CO3)2F2: Rare Earth Fluoride Carbonates as
 Deep-UV Nonlinear Optical Materials
;
_journal_issue                   15
_journal_name_full               'Chemistry of Materials'
_journal_page_first              3147
_journal_paper_doi               10.1021/cm4023369
_journal_volume                  25
_journal_year                    2013
_chemical_formula_sum            'C2 F2 Lu Na3 O6'
_chemical_formula_weight         401.96
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.924(15)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   7.073(6)
_cell_length_b                   29.77(2)
_cell_length_c                   6.909(7)
_cell_measurement_temperature    293(2)
_cell_volume                     1350(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.912
_diffrn_measured_fraction_theta_max 0.912
_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  0.0626
_diffrn_reflns_av_sigmaI/netI    0.0491
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            8923
_diffrn_reflns_theta_full        29.17
_diffrn_reflns_theta_max         29.17
_diffrn_reflns_theta_min         2.74
_exptl_absorpt_coefficient_mu    14.861
_exptl_crystal_density_diffrn    3.957
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1456
_refine_diff_density_max         1.908
_refine_diff_density_min         -1.407
_refine_diff_density_rms         0.315
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(9)
_refine_ls_extinction_coef       0.00032(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     255
_refine_ls_number_reflns         3158
_refine_ls_number_restraints     44
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0439
_refine_ls_R_factor_gt           0.0355
_refine_ls_shift/su_max          1.181
_refine_ls_shift/su_mean         0.112
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0515P)²+2.7699P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0967
_refine_ls_wR_factor_ref         0.1054
_reflns_number_gt                2423
_reflns_number_total             3158
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cm4023369_si_003.cif
_cod_data_source_block           1
_cod_original_cell_volume        1349(2)
_cod_database_code               4001794
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, 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
Lu1 Lu 0.37312(8) 0.9761(2) 0.49855(8) 0.0126(3) Uani 0.50 1 d P
Na1 Na 0.37312(8) 0.9761(2) 0.49855(8) 0.0126(3) Uani 0.50 1 d P
Lu2 Lu 0.87196(7) 0.9746(2) 0.49985(8) 0.0107(3) Uani 0.50 1 d P
Na2 Na 0.87196(7) 0.9746(2) 0.49985(8) 0.0107(3) Uani 0.50 1 d P
Lu3 Lu 0.12247(11) 0.774121(10) -0.00163(12) 0.00849(14) Uani 1 1 d .
Na3 Na 0.6307(18) 0.7816(2) 0.0160(17) 0.0440(17) Uani 1 1 d .
Na4 Na 0.0016(10) 0.86950(17) 0.2607(9) 0.0154(11) Uani 1 1 d .
Na5 Na 0.2470(9) 0.88171(19) 0.7569(8) 0.0149(9) Uani 1 1 d .
Na6 Na 0.7467(11) 0.8805(2) 0.7609(10) 0.0212(11) Uani 1 1 d .
Na7 Na 0.4906(11) 0.86907(18) 0.2536(11) 0.0182(12) Uani 1 1 d .
C1 C 0.8495(15) 0.8043(4) 0.5160(15) 0.008(2) Uani 1 1 d U
C2 C 0.115(2) 0.0547(3) 0.518(2) 0.013(2) Uani 1 1 d .
C3 C 0.6032(19) 0.0566(3) 0.510(2) 0.012(2) Uani 1 1 d U
C4 C 0.3658(14) 0.8073(5) 0.5046(14) 0.013(3) Uani 1 1 d U
O1 O 0.9228(12) 0.8428(2) 0.5494(12) 0.0161(14) Uani 1 1 d U
O2 O 0.9281(12) 0.7716(2) 0.6496(12) 0.0104(15) Uani 1 1 d U
O3 O 0.1888(13) 0.0225(3) 0.6360(13) 0.0262(18) Uani 1 1 d .
O4 O 0.6722(11) 0.0960(3) 0.5623(12) 0.0215(17) Uani 1 1 d .
O5 O 0.6921(10) 0.7937(2) 0.3596(10) 0.0112(13) Uani 1 1 d .
O6 O 0.4518(12) 0.0466(3) 0.3453(13) 0.036(2) Uani 1 1 d .
O7 O 0.9547(12) 0.0435(4) 0.3479(13) 0.039(2) Uani 1 1 d .
O8 O 0.1738(12) 0.0945(3) 0.5564(12) 0.0265(18) Uani 1 1 d .
O9 O 0.6887(13) 0.0232(3) 0.6357(14) 0.0281(19) Uani 1 1 d U
O10 O 0.4525(18) 0.7725(3) 0.6194(17) 0.032(3) Uani 1 1 d .
O11 O 0.2220(13) 0.7991(4) 0.3260(13) 0.043(3) Uani 1 1 d .
O12 O 0.4156(14) 0.8464(3) 0.5571(16) 0.0278(19) Uani 1 1 d .
F1 F 0.3327(15) 0.8191(3) 0.9659(14) 0.020(2) Uani 1 1 d U
F2 F 0.8890(12) 0.8225(3) 0.9807(13) 0.018(2) Uani 1 1 d .
F3 F 0.6154(19) 0.92933(19) 0.4719(14) 0.0206(17) Uani 1 1 d .
F4 F 0.1018(15) 0.9303(2) 0.4747(15) 0.0183(16) 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
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
Lu Lu -0.4720 5.8584 '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
F3 Lu1 F4 105.3(5) . .
F3 Lu1 O6 90.4(4) . 2_565
F4 Lu1 O6 77.1(3) . 2_565
F3 Lu1 O3 162.0(3) . 1_565
F4 Lu1 O3 78.6(3) . 1_565
O6 Lu1 O3 73.2(3) 2_565 1_565
F3 Lu1 O3 93.4(3) . 2_564
F4 Lu1 O3 79.6(3) . 2_564
O6 Lu1 O3 156.6(4) 2_565 2_564
O3 Lu1 O3 104.6(3) 1_565 2_564
F3 Lu1 O9 77.3(3) . 1_565
F4 Lu1 O9 163.2(3) . 1_565
O6 Lu1 O9 86.4(3) 2_565 1_565
O3 Lu1 O9 94.0(3) 1_565 1_565
O3 Lu1 O9 117.0(3) 2_564 1_565
F3 Lu1 O6 100.7(3) . 1_565
F4 Lu1 O6 140.8(3) . 1_565
O6 Lu1 O6 131.9(4) 2_565 1_565
O3 Lu1 O6 85.6(4) 1_565 1_565
O3 Lu1 O6 70.0(3) 2_564 1_565
O9 Lu1 O6 51.9(3) 1_565 1_565
F3 Lu1 C3 94.4(3) . 1_565
F4 Lu1 C3 159.9(4) . 1_565
O6 Lu1 C3 107.2(4) 2_565 1_565
O3 Lu1 C3 83.8(4) 1_565 1_565
O3 Lu1 C3 95.6(4) 2_564 1_565
O9 Lu1 C3 27.0(3) 1_565 1_565
O6 Lu1 C3 26.2(3) 1_565 1_565
F3 Lu1 Lu2 37.5(2) . .
F4 Lu1 Lu2 142.8(4) . .
O6 Lu1 Lu2 97.9(2) 2_565 .
O3 Lu1 Lu2 135.9(4) 1_565 .
O3 Lu1 Lu2 99.2(2) 2_564 .
O9 Lu1 Lu2 41.9(2) 1_565 .
O6 Lu1 Lu2 68.4(2) 1_565 .
C3 Lu1 Lu2 57.0(3) 1_565 .
F3 Lu1 Na2 141.1(4) . 1_455
F4 Lu1 Na2 35.8(2) . 1_455
O6 Lu1 Na2 81.4(2) 2_565 1_455
O3 Lu1 Na2 45.2(2) 1_565 1_455
O3 Lu1 Na2 81.1(2) 2_564 1_455
O9 Lu1 Na2 139.2(3) 1_565 1_455
O6 Lu1 Na2 113.1(3) 1_565 1_455
C3 Lu1 Na2 124.4(3) 1_565 1_455
Lu2 Lu1 Na2 178.5(4) . 1_455
F3 Lu1 Lu2 141.1(4) . 1_455
F4 Lu1 Lu2 35.8(2) . 1_455
O6 Lu1 Lu2 81.4(2) 2_565 1_455
O3 Lu1 Lu2 45.2(2) 1_565 1_455
O3 Lu1 Lu2 81.1(2) 2_564 1_455
O9 Lu1 Lu2 139.2(3) 1_565 1_455
O6 Lu1 Lu2 113.1(3) 1_565 1_455
C3 Lu1 Lu2 124.4(3) 1_565 1_455
Lu2 Lu1 Lu2 178.5(4) . 1_455
Na2 Lu1 Lu2 0.0 1_455 1_455
F4 Lu2 F3 103.9(4) 1_655 .
F4 Lu2 O7 92.0(4) 1_655 2_565
F3 Lu2 O7 80.2(4) . 2_565
F4 Lu2 O9 162.3(3) 1_655 1_565
F3 Lu2 O9 81.6(3) . 1_565
O7 Lu2 O9 72.1(3) 2_565 1_565
F4 Lu2 O9 93.5(3) 1_655 2_564
F3 Lu2 O9 79.5(3) . 2_564
O7 Lu2 O9 159.7(4) 2_565 2_564
O9 Lu2 O9 104.0(3) 1_565 2_564
F4 Lu2 O7 99.7(3) 1_655 1_565
F3 Lu2 O7 141.8(3) . 1_565
O7 Lu2 O7 128.8(4) 2_565 1_565
O9 Lu2 O7 85.0(4) 1_565 1_565
O9 Lu2 O7 69.4(3) 2_564 1_565
F4 Lu2 O3 77.5(3) 1_655 1_665
F3 Lu2 O3 164.4(3) . 1_665
O7 Lu2 O3 84.2(3) 2_565 1_665
O9 Lu2 O3 92.8(3) 1_565 1_665
O9 Lu2 O3 116.1(3) 2_564 1_665
O7 Lu2 O3 51.0(3) 1_565 1_665
F4 Lu2 C2 93.1(4) 1_655 1_665
F3 Lu2 C2 162.7(4) . 1_665
O7 Lu2 C2 103.3(4) 2_565 1_665
O9 Lu2 C2 83.4(4) 1_565 1_665
O9 Lu2 C2 95.9(4) 2_564 1_665
O7 Lu2 C2 27.2(3) 1_565 1_665
O3 Lu2 C2 25.0(3) 1_665 1_665
F4 Lu2 Lu1 142.5(4) 1_655 .
F3 Lu2 Lu1 38.7(3) . .
O7 Lu2 Lu1 82.6(2) 2_565 .
O9 Lu2 Lu1 45.2(2) 1_565 .
O9 Lu2 Lu1 81.2(2) 2_564 .
O7 Lu2 Lu1 112.6(3) 1_565 .
O3 Lu2 Lu1 138.0(3) 1_665 .
C2 Lu2 Lu1 124.3(4) 1_665 .
F4 Lu2 Lu1 38.9(2) 1_655 1_655
F3 Lu2 Lu1 142.7(4) . 1_655
O7 Lu2 Lu1 98.1(2) 2_565 1_655
O9 Lu2 Lu1 133.7(4) 1_565 1_655
O9 Lu2 Lu1 98.5(2) 2_564 1_655
O7 Lu2 Lu1 66.0(2) 1_565 1_655
O3 Lu2 Lu1 40.9(2) 1_665 1_655
C2 Lu2 Lu1 54.2(3) 1_665 1_655
Lu1 Lu2 Lu1 178.5(4) . 1_655
F4 Lu2 Na1 38.9(2) 1_655 1_655
F3 Lu2 Na1 142.7(4) . 1_655
O7 Lu2 Na1 98.1(2) 2_565 1_655
O9 Lu2 Na1 133.7(4) 1_565 1_655
O9 Lu2 Na1 98.5(2) 2_564 1_655
O7 Lu2 Na1 66.0(2) 1_565 1_655
O3 Lu2 Na1 40.9(2) 1_665 1_655
C2 Lu2 Na1 54.2(3) 1_665 1_655
Lu1 Lu2 Na1 178.5(4) . 1_655
Lu1 Lu2 Na1 0.0(2) 1_655 1_655
F1 Lu3 F2 97.3(2) 1_554 1_454
F1 Lu3 O10 164.9(4) 1_554 4_464
F2 Lu3 O10 85.8(4) 1_454 4_464
F1 Lu3 O11 85.8(4) 1_554 .
F2 Lu3 O11 77.3(4) 1_454 .
O10 Lu3 O11 80.5(4) 4_464 .
F1 Lu3 O2 94.6(3) 1_554 1_454
F2 Lu3 O2 79.4(3) 1_454 1_454
O10 Lu3 O2 100.4(4) 4_464 1_454
O11 Lu3 O2 156.6(3) . 1_454
F1 Lu3 O5 104.0(3) 1_554 4_464
F2 Lu3 O5 144.8(3) 1_454 4_464
O10 Lu3 O5 80.9(3) 4_464 4_464
O11 Lu3 O5 131.4(4) . 4_464
O2 Lu3 O5 71.3(2) 1_454 4_464
F1 Lu3 O2 81.4(3) 1_554 4_464
F2 Lu3 O2 159.1(3) 1_454 4_464
O10 Lu3 O2 90.5(4) 4_464 4_464
O11 Lu3 O2 81.8(3) . 4_464
O2 Lu3 O2 121.5(3) 1_454 4_464
O5 Lu3 O2 53.9(2) 4_464 4_464
F1 Lu3 C1 96.9(3) 1_554 4_464
F2 Lu3 C1 165.6(3) 1_454 4_464
O10 Lu3 C1 81.0(4) 4_464 4_464
O11 Lu3 C1 105.9(4) . 4_464
O2 Lu3 C1 97.3(2) 1_454 4_464
O5 Lu3 C1 26.6(2) 4_464 4_464
O2 Lu3 C1 27.9(2) 4_464 4_464
F1 Lu3 Na3 135.8(3) 1_554 1_455
F2 Lu3 Na3 38.5(3) 1_454 1_455
O10 Lu3 Na3 48.7(3) 4_464 1_455
O11 Lu3 Na3 83.4(3) . 1_455
O2 Lu3 Na3 80.0(3) 1_454 1_455
O5 Lu3 Na3 115.12(19) 4_464 1_455
O2 Lu3 Na3 138.4(2) 4_464 1_455
C1 Lu3 Na3 127.2(2) 4_464 1_455
F1 Lu3 Na3 37.6(3) 1_554 .
F2 Lu3 Na3 134.6(2) 1_454 .
O10 Lu3 Na3 135.8(4) 4_464 .
O11 Lu3 Na3 90.7(3) . .
O2 Lu3 Na3 103.9(3) 1_454 .
O5 Lu3 Na3 72.94(19) 4_464 .
O2 Lu3 Na3 45.3(2) 4_464 .
C1 Lu3 Na3 59.8(2) 4_464 .
Na3 Lu3 Na3 171.92(19) 1_455 .
F1 Lu3 Na4 82.0(3) 1_554 .
F2 Lu3 Na4 36.0(3) 1_454 .
O10 Lu3 Na4 92.3(2) 4_464 .
O11 Lu3 Na4 43.8(3) . .
O2 Lu3 Na4 113.0(2) 1_454 .
O5 Lu3 Na4 172.62(19) 4_464 .
O2 Lu3 Na4 123.9(2) 4_464 .
C1 Lu3 Na4 149.7(2) 4_464 .
Na3 Lu3 Na4 61.06(15) 1_455 .
Na3 Lu3 Na4 110.88(15) . .
F1 Lu3 Na3 86.6(3) 1_554 4_464
F2 Lu3 Na3 120.7(3) 1_454 4_464
O10 Lu3 Na3 104.6(3) 4_464 4_464
O11 Lu3 Na3 161.3(3) . 4_464
O2 Lu3 Na3 41.4(2) 1_454 4_464
O5 Lu3 Na3 35.48(19) 4_464 4_464
O2 Lu3 Na3 80.1(2) 4_464 4_464
C1 Lu3 Na3 58.1(2) 4_464 4_464
Na3 Lu3 Na3 113.7(3) 1_455 4_464
Na3 Lu3 Na3 73.0(2) . 4_464
Na4 Lu3 Na3 150.96(14) . 4_464
O5 Na3 F2 100.3(5) . 1_554
O5 Na3 F1 83.5(4) . 1_554
F2 Na3 F1 116.8(4) 1_554 1_554
O5 Na3 O2 68.4(4) . 4_464
F2 Na3 O2 163.2(6) 1_554 4_464
F1 Na3 O2 75.3(5) 1_554 4_464
O5 Na3 O10 162.9(6) . 1_554
F2 Na3 O10 92.1(5) 1_554 1_554
F1 Na3 O10 80.4(5) 1_554 1_554
O2 Na3 O10 101.8(4) 4_464 1_554
O5 Na3 O10 90.3(5) . 4_564
F2 Na3 O10 73.3(4) 1_554 4_564
F1 Na3 O10 168.9(6) 1_554 4_564
O2 Na3 O10 93.9(4) 4_464 4_564
O10 Na3 O10 104.6(4) 1_554 4_564
O5 Na3 O11 127.6(5) . 4_564
F2 Na3 O11 94.0(4) 1_554 4_564
F1 Na3 O11 132.6(5) 1_554 4_564
O2 Na3 O11 84.2(3) 4_464 4_564
O10 Na3 O11 62.4(3) 1_554 4_564
O10 Na3 O11 46.6(3) 4_564 4_564
O5 Na3 Na7 49.8(2) . .
F2 Na3 Na7 91.8(3) 1_554 .
F1 Na3 Na7 44.5(3) 1_554 .
O2 Na3 Na7 89.8(4) 4_464 .
O10 Na3 Na7 118.6(4) 1_554 .
O10 Na3 Na7 134.8(4) 4_564 .
O11 Na3 Na7 174.0(4) 4_564 .
O5 Na3 Lu3 103.8(4) . 1_655
F2 Na3 Lu3 36.1(3) 1_554 1_655
F1 Na3 Lu3 152.4(4) 1_554 1_655
O2 Na3 Lu3 132.2(4) 4_464 1_655
O10 Na3 Lu3 93.1(4) 1_554 1_655
O10 Na3 Lu3 38.4(2) 4_564 1_655
O11 Na3 Lu3 63.1(3) 4_564 1_655
Na7 Na3 Lu3 122.0(3) . 1_655
O5 Na3 Lu3 80.9(4) . .
F2 Na3 Lu3 150.3(4) 1_554 .
F1 Na3 Lu3 33.5(3) 1_554 .
O2 Na3 Lu3 43.2(3) 4_464 .
O10 Na3 Lu3 82.5(4) 1_554 .
O10 Na3 Lu3 136.4(3) 4_564 .
O11 Na3 Lu3 108.8(3) 4_564 .
Na7 Na3 Lu3 66.0(2) . .
Lu3 Na3 Lu3 171.92(19) 1_655 .
O5 Na3 Na4 65.1(3) . 1_655
F2 Na3 Na4 36.9(3) 1_554 1_655
F1 Na3 Na4 100.5(3) 1_554 1_655
O2 Na3 Na4 133.5(4) 4_464 1_655
O10 Na3 Na4 123.6(4) 1_554 1_655
O10 Na3 Na4 85.1(4) 4_564 1_655
O11 Na3 Na4 123.9(4) 4_564 1_655
Na7 Na3 Na4 61.14(19) . 1_655
Lu3 Na3 Na4 60.9(2) 1_655 1_655
Lu3 Na3 Na4 127.2(2) . 1_655
O5 Na3 Na6 112.5(3) . 1_554
F2 Na3 Na6 36.0(3) 1_554 1_554
F1 Na3 Na6 83.9(3) 1_554 1_554
O2 Na3 Na6 159.1(5) 4_464 1_554
O10 Na3 Na6 71.4(3) 1_554 1_554
O10 Na3 Na6 107.0(4) 4_564 1_554
O11 Na3 Na6 108.5(4) 4_564 1_554
Na7 Na3 Na6 77.10(17) . 1_554
Lu3 Na3 Na6 68.6(2) 1_655 1_554
Lu3 Na3 Na6 115.9(3) . 1_554
Na4 Na3 Na6 52.90(18) 1_655 1_554
F4 Na4 F2 165.0(4) . 1_454
F4 Na4 O1 80.6(4) . 1_455
F2 Na4 O1 112.7(4) 1_454 1_455
F4 Na4 O8 85.7(4) . 2_564
F2 Na4 O8 82.5(4) 1_454 2_564
O1 Na4 O8 162.1(4) 1_455 2_564
F4 Na4 O4 91.7(3) . 2_464
F2 Na4 O4 79.9(4) 1_454 2_464
O1 Na4 O4 97.9(4) 1_455 2_464
O8 Na4 O4 93.9(3) 2_564 2_464
F4 Na4 O11 121.1(4) . .
F2 Na4 O11 69.0(3) 1_454 .
O1 Na4 O11 84.1(3) 1_455 .
O8 Na4 O11 93.4(4) 2_564 .
O4 Na4 O11 146.8(4) 2_464 .
F4 Na4 O12 75.4(4) . .
F2 Na4 O12 112.8(3) 1_454 .
O1 Na4 O12 79.9(3) 1_455 .
O8 Na4 O12 85.6(3) 2_564 .
O4 Na4 O12 167.1(3) 2_464 .
O11 Na4 O12 46.0(3) . .
F4 Na4 C1 102.7(4) . 1_455
F2 Na4 C1 90.7(3) 1_454 1_455
O1 Na4 C1 22.1(3) 1_455 1_455
O8 Na4 C1 165.9(4) 2_564 1_455
O4 Na4 C1 97.1(3) 2_464 1_455
O11 Na4 C1 72.6(3) . 1_455
O12 Na4 C1 85.6(3) . 1_455
F4 Na4 C2 72.0(4) . 2_564
F2 Na4 C2 93.9(4) 1_454 2_564
O1 Na4 C2 151.8(4) 1_455 2_564
O8 Na4 C2 22.4(3) 2_564 2_564
O4 Na4 C2 77.0(3) 2_464 2_564
O11 Na4 C2 115.5(4) . 2_564
O12 Na4 C2 98.9(4) . 2_564
C1 Na4 C2 171.7(4) 1_455 2_564
F4 Na4 C4 97.3(4) . .
F2 Na4 C4 92.9(3) 1_454 .
O1 Na4 C4 75.8(3) 1_455 .
O8 Na4 C4 94.8(4) 2_564 .
O4 Na4 C4 167.9(4) 2_464 .
O11 Na4 C4 24.0(3) . .
O12 Na4 C4 23.2(3) . .
C1 Na4 C4 73.1(3) 1_455 .
C2 Na4 C4 113.5(4) 2_564 .
F4 Na4 Na5 46.2(3) . .
F2 Na4 Na5 148.1(3) 1_454 .
O1 Na4 Na5 49.8(2) 1_455 .
O8 Na4 Na5 112.3(3) 2_564 .
O4 Na4 Na5 124.7(3) 2_464 .
O11 Na4 Na5 81.6(2) . .
O12 Na4 Na5 44.92(19) . .
C1 Na4 Na5 68.1(2) 1_455 .
C2 Na4 Na5 110.4(4) 2_564 .
C4 Na4 Na5 58.9(2) . .
F4 Na4 Na6 121.5(3) . 1_454
F2 Na4 Na6 44.1(3) 1_454 1_454
O1 Na4 Na6 134.9(4) 1_455 1_454
O8 Na4 Na6 62.6(3) 2_564 1_454
O4 Na4 Na6 47.9(2) 2_464 1_454
O11 Na4 Na6 109.2(3) . 1_454
O12 Na4 Na6 140.3(3) . 1_454
C1 Na4 Na6 119.8(3) 1_455 1_454
C2 Na4 Na6 60.4(3) 2_564 1_454
C4 Na4 Na6 130.7(3) . 1_454
Na5 Na4 Na6 167.8(2) . 1_454
F1 Na5 F4 163.4(4) . .
F1 Na5 O12 86.2(4) . .
F4 Na5 O12 87.1(4) . .
F1 Na5 O8 77.8(4) . 2_565
F4 Na5 O8 111.4(4) . 2_565
O12 Na5 O8 159.9(4) . 2_565
F1 Na5 O1 87.4(4) . 1_455
F4 Na5 O1 77.5(3) . 1_455
O12 Na5 O1 90.8(3) . 1_455
O8 Na5 O1 100.6(4) 2_565 1_455
F1 Na5 O6 122.8(4) . 2_565
F4 Na5 O6 73.2(3) . 2_565
O12 Na5 O6 98.5(4) . 2_565
O8 Na5 O6 80.4(3) 2_565 2_565
O1 Na5 O6 148.8(4) 1_455 2_565
F1 Na5 C2 101.7(4) . 2_565
F4 Na5 C2 88.4(4) . 2_565
O12 Na5 C2 164.8(4) . 2_565
O8 Na5 C2 23.8(3) 2_565 2_565
O1 Na5 C2 102.4(4) 1_455 2_565
O6 Na5 C2 66.3(4) 2_565 2_565
F1 Na5 C3 99.1(4) . 2_565
F4 Na5 C3 96.7(4) . 2_565
O12 Na5 C3 96.4(4) . 2_565
O8 Na5 C3 74.4(3) 2_565 2_565
O1 Na5 C3 170.5(4) 1_455 2_565
O6 Na5 C3 23.7(3) 2_565 2_565
C2 Na5 C3 69.7(4) 2_565 2_565
F1 Na5 C4 73.3(3) . .
F4 Na5 C4 95.7(4) . .
O12 Na5 C4 20.7(3) . .
O8 Na5 C4 150.9(4) 2_565 .
O1 Na5 C4 74.4(3) 1_455 .
O6 Na5 C4 119.0(4) 2_565 .
C2 Na5 C4 174.0(4) 2_565 .
C3 Na5 C4 114.0(3) 2_565 .
F1 Na5 Na4 119.1(3) . .
F4 Na5 Na4 44.7(2) . .
O12 Na5 Na4 61.5(3) . .
O8 Na5 Na4 137.6(3) 2_565 .
O1 Na5 Na4 47.4(2) 1_455 .
O6 Na5 Na4 112.6(3) 2_565 .
C2 Na5 Na4 123.1(3) 2_565 .
C3 Na5 Na4 132.1(3) 2_565 .
C4 Na5 Na4 58.5(2) . .
F1 Na5 Na7 47.7(3) . 1_556
F4 Na5 Na7 148.4(3) . 1_556
O12 Na5 Na7 112.3(3) . 1_556
O8 Na5 Na7 47.6(3) 2_565 1_556
O1 Na5 Na7 124.6(3) 1_455 1_556
O6 Na5 Na7 79.1(3) 2_565 1_556
C2 Na5 Na7 66.2(3) 2_565 1_556
C3 Na5 Na7 57.9(3) 2_565 1_556
C4 Na5 Na7 111.2(3) . 1_556
Na4 Na5 Na7 166.9(2) . 1_556
F1 Na5 Na6 87.6(3) . .
F4 Na5 Na6 98.0(4) . .
O12 Na5 Na6 44.1(3) . .
O8 Na5 Na6 122.0(3) 2_565 .
O1 Na5 Na6 134.8(3) 1_455 .
O6 Na5 Na6 61.5(3) 2_565 .
C2 Na5 Na6 122.6(4) 2_565 .
C3 Na5 Na6 52.9(3) 2_565 .
C4 Na5 Na6 61.2(2) . .
Na4 Na5 Na6 98.45(18) . .
Na7 Na5 Na6 81.7(2) 1_556 .
F2 Na6 F3 165.8(5) . .
F2 Na6 O4 80.3(4) . 2_565
F3 Na6 O4 113.8(4) . 2_565
F2 Na6 O12 99.1(4) . .
F3 Na6 O12 77.3(4) . .
O4 Na6 O12 98.3(4) 2_565 .
F2 Na6 O1 81.8(4) . .
F3 Na6 O1 84.7(4) . .
O4 Na6 O1 160.0(4) 2_565 .
O12 Na6 O1 93.2(3) . .
F2 Na6 O7 115.4(5) . 2_565
F3 Na6 O7 71.0(3) . 2_565
O4 Na6 O7 80.7(3) 2_565 2_565
O12 Na6 O7 144.6(4) . 2_565
O1 Na6 O7 99.2(4) . 2_565
F2 Na6 C3 104.7(4) . 2_565
F3 Na6 C3 89.4(4) . 2_565
O4 Na6 C3 24.7(3) 2_565 2_565
O12 Na6 C3 97.7(4) . 2_565
O1 Na6 C3 166.2(4) . 2_565
O7 Na6 C3 67.0(3) 2_565 2_565
F2 Na6 C1 70.8(3) . .
F3 Na6 C1 95.0(3) . .
O4 Na6 C1 148.7(4) 2_565 .
O12 Na6 C1 75.6(3) . .
O1 Na6 C1 23.0(3) . .
O7 Na6 C1 122.0(4) 2_565 .
C3 Na6 C1 170.8(4) 2_565 .
F2 Na6 Na4 44.3(3) . 1_656
F3 Na6 Na4 147.6(4) . 1_656
O4 Na6 Na4 48.2(2) 2_565 1_656
O12 Na6 Na4 126.7(3) . 1_656
O1 Na6 Na4 111.9(3) . 1_656
O7 Na6 Na4 78.7(3) 2_565 1_656
C3 Na6 Na4 67.8(3) 2_565 1_656
C1 Na6 Na4 111.0(3) . 1_656
F2 Na6 Na7 124.1(4) . .
F3 Na6 Na7 44.0(3) . .
O4 Na6 Na7 136.8(3) 2_565 .
O12 Na6 Na7 47.4(2) . .
O1 Na6 Na7 62.1(3) . .
O7 Na6 Na7 111.5(3) 2_565 .
C3 Na6 Na7 120.6(3) 2_565 .
C1 Na6 Na7 59.3(2) . .
Na4 Na6 Na7 168.4(3) 1_656 .
F2 Na6 Na5 101.9(4) . .
F3 Na6 Na5 84.9(4) . .
O4 Na6 Na5 57.8(2) 2_565 .
O12 Na6 Na5 42.4(2) . .
O1 Na6 Na5 135.6(3) . .
O7 Na6 Na5 117.7(3) 2_565 .
C3 Na6 Na5 55.9(3) 2_565 .
C1 Na6 Na5 116.5(3) . .
Na4 Na6 Na5 99.6(2) 1_656 .
Na7 Na6 Na5 80.92(16) . .
F2 Na6 Na5 79.6(3) . 1_655
F3 Na6 Na5 93.7(4) . 1_655
O4 Na6 Na5 122.6(3) 2_565 1_655
O12 Na6 Na5 137.7(3) . 1_655
O1 Na6 Na5 44.5(2) . 1_655
O7 Na6 Na5 61.4(3) 2_565 1_655
C3 Na6 Na5 123.8(3) 2_565 1_655
C1 Na6 Na5 64.0(2) . 1_655
Na4 Na6 Na5 81.4(2) 1_656 1_655
Na7 Na6 Na5 98.37(18) . 1_655
Na5 Na6 Na5 178.5(3) . 1_655
F3 Na7 F1 166.9(5) . 1_554
F3 Na7 O4 82.5(4) . 2_564
F1 Na7 O4 89.5(4) 1_554 2_564
F3 Na7 O8 93.9(4) . 2_564
F1 Na7 O8 76.2(4) 1_554 2_564
O4 Na7 O8 94.0(3) 2_564 2_564
F3 Na7 O12 78.8(4) . .
F1 Na7 O12 110.9(4) 1_554 .
O4 Na7 O12 157.8(5) 2_564 .
O8 Na7 O12 99.0(4) 2_564 .
F3 Na7 O5 116.8(5) . .
F1 Na7 O5 74.7(3) 1_554 .
O4 Na7 O5 100.3(3) 2_564 .
O8 Na7 O5 147.4(4) 2_564 .
O12 Na7 O5 78.0(3) . .
F3 Na7 C4 103.4(4) . .
F1 Na7 C4 87.2(4) 1_554 .
O4 Na7 C4 163.0(4) 2_564 .
O8 Na7 C4 101.4(4) 2_564 .
O12 Na7 C4 25.0(3) . .
O5 Na7 C4 62.7(3) . .
F3 Na7 O11 123.2(4) . .
F1 Na7 O11 65.0(3) 1_554 .
O4 Na7 O11 154.3(4) 2_564 .
O8 Na7 O11 83.8(4) 2_564 .
O12 Na7 O11 46.1(3) . .
O5 Na7 O11 70.7(3) . .
C4 Na7 O11 25.5(2) . .
F3 Na7 C3 71.4(3) . 2_564
F1 Na7 C3 97.4(4) 1_554 2_564
O4 Na7 C3 23.1(3) 2_564 2_564
O8 Na7 C3 75.0(3) 2_564 2_564
O12 Na7 C3 148.9(4) . 2_564
O5 Na7 C3 123.3(4) . 2_564
C4 Na7 C3 173.2(4) . 2_564
O11 Na7 C3 155.4(4) . 2_564
F3 Na7 Na5 121.8(3) . 1_554
F1 Na7 Na5 45.1(3) 1_554 1_554
O4 Na7 Na5 63.1(3) 2_564 1_554
O8 Na7 Na5 48.1(3) 2_564 1_554
O12 Na7 Na5 137.9(4) . 1_554
O5 Na7 Na5 114.6(3) . 1_554
C4 Na7 Na5 123.4(3) . 1_554
O11 Na7 Na5 98.0(3) . 1_554
C3 Na7 Na5 58.5(3) 2_564 1_554
F3 Na7 Na6 45.6(3) . .
F1 Na7 Na6 147.5(4) 1_554 .
O4 Na7 Na6 110.2(3) 2_564 .
O8 Na7 Na6 125.5(3) 2_564 .
O12 Na7 Na6 47.7(3) . .
O5 Na7 Na6 76.4(2) . .
C4 Na7 Na6 66.2(3) . .
O11 Na7 Na6 91.4(2) . .
C3 Na7 Na6 110.9(3) 2_564 .
Na5 Na7 Na6 167.4(3) 1_554 .
F3 Na7 Na3 143.3(5) . .
F1 Na7 Na3 42.1(3) 1_554 .
O4 Na7 Na3 75.8(3) 2_564 .
O8 Na7 Na3 116.6(4) 2_564 .
O12 Na7 Na3 113.4(3) . .
O5 Na7 Na3 41.8(3) . .
C4 Na7 Na3 90.7(3) . .
O11 Na7 Na3 82.3(3) . .
C3 Na7 Na3 96.1(3) 2_564 .
Na5 Na7 Na3 73.4(2) 1_554 .
Na6 Na7 Na3 116.4(3) . .
O1 C1 O5 124.0(10) . .
O1 C1 O2 121.0(9) . .
O5 C1 O2 114.9(10) . .
O1 C1 Lu3 164.9(8) . 4_565
O5 C1 Lu3 56.7(5) . 4_565
O2 C1 Lu3 60.0(5) . 4_565
O1 C1 Na6 52.1(5) . .
O5 C1 Na6 109.8(6) . .
O2 C1 Na6 106.6(6) . .
Lu3 C1 Na6 112.8(4) 4_565 .
O1 C1 Na4 46.7(5) . 1_655
O5 C1 Na4 93.0(6) . 1_655
O2 C1 Na4 136.4(7) . 1_655
Lu3 C1 Na4 144.7(4) 4_565 1_655
Na6 C1 Na4 93.2(4) . 1_655
O3 C2 O8 124.7(13) . .
O3 C2 O7 113.3(10) . 1_455
O8 C2 O7 121.9(12) . 1_455
O3 C2 Na2 59.5(6) . 1_445
O8 C2 Na2 158.0(9) . 1_445
O7 C2 Na2 57.6(6) 1_455 1_445
O3 C2 Lu2 59.5(6) . 1_445
O8 C2 Lu2 158.0(9) . 1_445
O7 C2 Lu2 57.6(6) 1_455 1_445
Na2 C2 Lu2 0.00(14) 1_445 1_445
O3 C2 Na5 137.5(10) . 2_564
O8 C2 Na5 51.4(6) . 2_564
O7 C2 Na5 88.9(8) 1_455 2_564
Na2 C2 Na5 143.4(5) 1_445 2_564
Lu2 C2 Na5 143.4(5) 1_445 2_564
O3 C2 Na1 46.7(6) . 1_545
O8 C2 Na1 126.2(9) . 1_545
O7 C2 Na1 95.6(7) 1_455 1_545
Na2 C2 Na1 73.7(2) 1_445 1_545
Lu2 C2 Na1 73.7(2) 1_445 1_545
Na5 C2 Na1 97.8(4) 2_564 1_545
O3 C2 Na4 109.8(8) . 2_565
O8 C2 Na4 47.6(6) . 2_565
O7 C2 Na4 110.6(8) 1_455 2_565
Na2 C2 Na4 110.6(4) 1_445 2_565
Lu2 C2 Na4 110.6(4) 1_445 2_565
Na5 C2 Na4 93.9(3) 2_564 2_565
Na1 C2 Na4 151.5(6) 1_545 2_565
O4 C3 O6 125.2(11) . .
O4 C3 O9 118.6(12) . .
O6 C3 O9 116.2(10) . .
O4 C3 Na1 158.3(8) . 1_545
O6 C3 Na1 60.2(6) . 1_545
O9 C3 Na1 60.2(6) . 1_545
O4 C3 Lu1 158.3(8) . 1_545
O6 C3 Lu1 60.2(6) . 1_545
O9 C3 Lu1 60.2(6) . 1_545
Na1 C3 Lu1 0.00(15) 1_545 1_545
O4 C3 Na6 53.4(5) . 2_564
O6 C3 Na6 89.1(7) . 2_564
O9 C3 Na6 133.7(8) . 2_564
Na1 C3 Na6 145.2(5) 1_545 2_564
Lu1 C3 Na6 145.2(5) 1_545 2_564
O4 C3 Na7 47.7(5) . 2_565
O6 C3 Na7 110.9(7) . 2_565
O9 C3 Na7 109.6(8) . 2_565
Na1 C3 Na7 110.9(4) 1_545 2_565
Lu1 C3 Na7 110.9(4) 1_545 2_565
Na6 C3 Na7 94.5(3) 2_564 2_565
O4 C3 Na2 123.9(8) . 1_545
O6 C3 Na2 96.5(6) . 1_545
O9 C3 Na2 44.3(5) . 1_545
Na1 C3 Na2 72.0(2) 1_545 1_545
Lu1 C3 Na2 72.0(2) 1_545 1_545
Na6 C3 Na2 97.9(3) 2_564 1_545
Na7 C3 Na2 150.1(5) 2_565 1_545
O4 C3 Na5 75.9(6) . 2_564
O6 C3 Na5 52.8(6) . 2_564
O9 C3 Na5 155.0(8) . 2_564
Na1 C3 Na5 98.4(4) 1_545 2_564
Lu1 C3 Na5 98.4(4) 1_545 2_564
Na6 C3 Na5 71.2(3) 2_564 2_564
Na7 C3 Na5 63.6(3) 2_565 2_564
Na2 C3 Na5 146.3(5) 1_545 2_564
O12 C4 O11 119.7(12) . .
O12 C4 O10 123.5(10) . .
O11 C4 O10 116.8(12) . .
O12 C4 Na7 57.1(6) . .
O11 C4 Na7 81.7(7) . .
O10 C4 Na7 133.6(8) . .
O12 C4 Na4 71.6(7) . .
O11 C4 Na4 53.0(7) . .
O10 C4 Na4 154.8(8) . .
Na7 C4 Na4 70.9(3) . .
O12 C4 Na5 43.2(5) . .
O11 C4 Na5 112.7(8) . .
O10 C4 Na5 112.7(7) . .
Na7 C4 Na5 95.2(4) . .
Na4 C4 Na5 62.5(3) . .
C1 O1 Na4 111.2(6) . 1_655
C1 O1 Na5 140.0(7) . 1_655
Na4 O1 Na5 82.8(3) 1_655 1_655
C1 O1 Na6 104.9(6) . .
Na4 O1 Na6 131.0(4) 1_655 .
Na5 O1 Na6 90.4(3) 1_655 .
C1 O2 Lu3 130.2(6) . 1_656
C1 O2 Lu3 92.2(6) . 4_565
Lu3 O2 Lu3 124.0(3) 1_656 4_565
C1 O2 Na3 110.9(7) . 4_565
Lu3 O2 Na3 101.9(4) 1_656 4_565
Lu3 O2 Na3 91.5(3) 4_565 4_565
C2 O3 Na1 110.6(8) . 1_545
C2 O3 Lu1 110.6(8) . 1_545
Na1 O3 Lu1 0.0(3) 1_545 1_545
C2 O3 Na1 128.0(8) . 2_565
Na1 O3 Na1 105.8(3) 1_545 2_565
Lu1 O3 Na1 105.8(3) 1_545 2_565
C2 O3 Lu1 128.0(8) . 2_565
Na1 O3 Lu1 105.8(3) 1_545 2_565
Lu1 O3 Lu1 105.8(3) 1_545 2_565
Na1 O3 Lu1 0.000(13) 2_565 2_565
C2 O3 Na2 95.5(8) . 1_445
Na1 O3 Na2 93.9(3) 1_545 1_445
Lu1 O3 Na2 93.9(3) 1_545 1_445
Na1 O3 Na2 117.9(4) 2_565 1_445
Lu1 O3 Na2 117.9(4) 2_565 1_445
C2 O3 Lu2 95.5(8) . 1_445
Na1 O3 Lu2 93.9(3) 1_545 1_445
Lu1 O3 Lu2 93.9(3) 1_545 1_445
Na1 O3 Lu2 117.9(4) 2_565 1_445
Lu1 O3 Lu2 117.9(4) 2_565 1_445
Na2 O3 Lu2 0.0(2) 1_445 1_445
C3 O4 Na7 109.3(7) . 2_565
C3 O4 Na6 101.9(7) . 2_564
Na7 O4 Na6 132.7(4) 2_565 2_564
C3 O4 Na4 137.1(7) . 2_665
Na7 O4 Na4 95.9(4) 2_565 2_665
Na6 O4 Na4 83.9(3) 2_564 2_665
C1 O5 Na3 133.9(7) . .
C1 O5 Lu3 96.7(6) . 4_565
Na3 O5 Lu3 107.4(3) . 4_565
C1 O5 Na7 103.8(7) . .
Na3 O5 Na7 88.4(3) . .
Lu3 O5 Na7 132.3(3) 4_565 .
C3 O6 Na1 141.2(7) . 2_564
C3 O6 Lu1 141.2(7) . 2_564
Na1 O6 Lu1 0.0(3) 2_564 2_564
C3 O6 Lu1 93.7(7) . 1_545
Na1 O6 Lu1 100.7(4) 2_564 1_545
Lu1 O6 Lu1 100.7(4) 2_564 1_545
C3 O6 Na1 93.7(7) . 1_545
Na1 O6 Na1 100.7(4) 2_564 1_545
Lu1 O6 Na1 100.7(4) 2_564 1_545
Lu1 O6 Na1 0.00(17) 1_545 1_545
C3 O6 Na5 103.5(7) . 2_564
Na1 O6 Na5 95.8(4) 2_564 2_564
Lu1 O6 Na5 95.8(4) 2_564 2_564
Lu1 O6 Na5 127.8(4) 1_545 2_564
Na1 O6 Na5 127.8(4) 1_545 2_564
C2 O7 Na2 140.7(8) 1_655 2_564
C2 O7 Lu2 140.7(8) 1_655 2_564
Na2 O7 Lu2 0.0(3) 2_564 2_564
C2 O7 Lu2 95.3(7) 1_655 1_545
Na2 O7 Lu2 103.9(4) 2_564 1_545
Lu2 O7 Lu2 103.9(4) 2_564 1_545
C2 O7 Na2 95.3(7) 1_655 1_545
Na2 O7 Na2 103.9(4) 2_564 1_545
Lu2 O7 Na2 103.9(4) 2_564 1_545
Lu2 O7 Na2 0.00(17) 1_545 1_545
C2 O7 Na6 101.8(7) 1_655 2_564
Na2 O7 Na6 93.4(4) 2_564 2_564
Lu2 O7 Na6 93.4(4) 2_564 2_564
Lu2 O7 Na6 127.4(4) 1_545 2_564
Na2 O7 Na6 127.4(4) 1_545 2_564
C2 O8 Na7 135.4(9) . 2_565
C2 O8 Na5 104.8(7) . 2_564
Na7 O8 Na5 84.3(3) 2_565 2_564
C2 O8 Na4 110.0(7) . 2_565
Na7 O8 Na4 92.0(3) 2_565 2_565
Na5 O8 Na4 133.0(4) 2_564 2_565
C3 O9 Na2 112.8(7) . 1_545
C3 O9 Lu2 112.8(7) . 1_545
Na2 O9 Lu2 0.0(2) 1_545 1_545
C3 O9 Na2 128.3(8) . 2_565
Na2 O9 Na2 106.0(4) 1_545 2_565
Lu2 O9 Na2 106.0(4) 1_545 2_565
C3 O9 Lu2 128.3(8) . 2_565
Na2 O9 Lu2 106.0(4) 1_545 2_565
Lu2 O9 Lu2 106.0(4) 1_545 2_565
Na2 O9 Lu2 0.000(13) 2_565 2_565
C3 O9 Na1 92.7(7) . 1_545
Na2 O9 Na1 92.9(3) 1_545 1_545
Lu2 O9 Na1 92.9(3) 1_545 1_545
Na2 O9 Na1 118.4(4) 2_565 1_545
Lu2 O9 Na1 118.4(4) 2_565 1_545
C3 O9 Lu1 92.7(7) . 1_545
Na2 O9 Lu1 92.9(3) 1_545 1_545
Lu2 O9 Lu1 92.9(3) 1_545 1_545
Na2 O9 Lu1 118.4(4) 2_565 1_545
Lu2 O9 Lu1 118.4(4) 2_565 1_545
Na1 O9 Lu1 0.0(3) 1_545 1_545
C4 O10 Lu3 117.9(7) . 4_565
C4 O10 Na3 119.6(7) . 1_556
Lu3 O10 Na3 110.7(5) 4_565 1_556
C4 O10 Na3 99.0(8) . 4_465
Lu3 O10 Na3 92.9(4) 4_565 4_465
Na3 O10 Na3 112.4(5) 1_556 4_465
C4 O11 Lu3 150.0(7) . .
C4 O11 Na4 103.0(8) . .
Lu3 O11 Na4 98.9(4) . .
C4 O11 Na3 87.3(8) . 4_465
Lu3 O11 Na3 98.2(5) . 4_465
Na4 O11 Na3 122.2(4) . 4_465
C4 O11 Na7 72.9(7) . .
Lu3 O11 Na7 92.4(4) . .
Na4 O11 Na7 77.4(4) . .
Na3 O11 Na7 155.5(5) 4_465 .
C4 O12 Na5 116.0(6) . .
C4 O12 Na7 97.9(6) . .
Na5 O12 Na7 133.8(4) . .
C4 O12 Na6 131.8(8) . .
Na5 O12 Na6 93.5(4) . .
Na7 O12 Na6 84.9(3) . .
C4 O12 Na4 85.1(7) . .
Na5 O12 Na4 73.6(3) . .
Na7 O12 Na4 79.5(4) . .
Na6 O12 Na4 141.8(4) . .
Lu3 F1 Na3 108.9(5) 1_556 1_556
Lu3 F1 Na5 124.1(5) 1_556 .
Na3 F1 Na5 120.1(5) 1_556 .
Lu3 F1 Na7 116.2(4) 1_556 1_556
Na3 F1 Na7 93.4(5) 1_556 1_556
Na5 F1 Na7 87.2(3) . 1_556
Lu3 F2 Na6 133.1(4) 1_656 .
Lu3 F2 Na4 110.1(4) 1_656 1_656
Na6 F2 Na4 91.6(4) . 1_656
Lu3 F2 Na3 105.3(4) 1_656 1_556
Na6 F2 Na3 107.7(5) . 1_556
Na4 F2 Na3 106.1(4) 1_656 1_556
Lu1 F3 Lu2 103.8(2) . .
Lu1 F3 Na7 114.6(6) . .
Lu2 F3 Na7 129.4(5) . .
Lu1 F3 Na6 112.3(4) . .
Lu2 F3 Na6 104.5(5) . .
Na7 F3 Na6 90.4(3) . .
Na2 F4 Lu2 0.00(3) 1_455 1_455
Na2 F4 Lu1 105.3(3) 1_455 .
Lu2 F4 Lu1 105.3(3) 1_455 .
Na2 F4 Na4 118.6(5) 1_455 .
Lu2 F4 Na4 118.6(5) 1_455 .
Lu1 F4 Na4 124.4(5) . .
Na2 F4 Na5 115.0(5) 1_455 .
Lu2 F4 Na5 115.0(5) 1_455 .
Lu1 F4 Na5 102.2(4) . .
Na4 F4 Na5 89.0(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Lu1 F3 2.268(12) .
Lu1 F4 2.310(10) .
Lu1 O6 2.347(9) 2_565
Lu1 O3 2.330(9) 1_565
Lu1 O3 2.353(9) 2_564
Lu1 O9 2.503(10) 1_565
Lu1 O6 2.503(12) 1_565
Lu1 C3 2.880(11) 1_565
Lu1 Lu2 3.525(3) .
Lu1 Na2 3.548(3) 1_455
Lu1 Lu2 3.548(3) 1_455
Lu2 F4 2.151(10) 1_655
Lu2 F3 2.211(11) .
Lu2 O7 2.316(9) 2_565
Lu2 O9 2.358(10) 1_565
Lu2 O9 2.362(9) 2_564
Lu2 O7 2.472(11) 1_565
Lu2 O3 2.523(9) 1_665
Lu2 C2 2.916(12) 1_665
Lu2 Lu1 3.548(3) 1_655
Lu2 Na1 3.548(3) 1_655
Lu3 F1 2.075(9) 1_554
Lu3 F2 2.160(8) 1_454
Lu3 O10 2.195(8) 4_464
Lu3 O11 2.233(8) .
Lu3 O2 2.286(8) 1_454
Lu3 O5 2.365(7) 4_464
Lu3 O2 2.435(8) 4_464
Lu3 C1 2.810(11) 4_464
Lu3 Na3 3.533(13) 1_455
Lu3 Na3 3.558(13) .
Lu3 Na4 3.638(6) .
Lu3 Na3 3.743(12) 4_464
Na3 O5 2.277(13) .
Na3 F2 2.282(14) 1_554
Na3 F1 2.295(14) 1_554
Na3 O2 2.529(13) 4_464
Na3 O10 2.567(16) 1_554
Na3 O10 2.658(16) 4_564
Na3 O11 2.924(15) 4_564
Na3 Na7 3.416(9) .
Na3 Lu3 3.533(13) 1_655
Na3 Na4 3.644(11) 1_655
Na3 Na6 3.677(11) 1_554
Na4 F4 2.276(10) .
Na4 F2 2.277(12) 1_454
Na4 O1 2.398(9) 1_455
Na4 O8 2.430(10) 2_564
Na4 O4 2.446(10) 2_464
Na4 O11 2.548(13) .
Na4 O12 2.960(13) .
Na4 C1 3.075(12) 1_455
Na4 C2 3.091(12) 2_564
Na4 C4 3.108(13) .
Na4 Na5 3.233(6) .
Na4 Na6 3.261(10) 1_454
Na5 F1 2.295(11) .
Na5 F4 2.335(10) .
Na5 O12 2.379(9) .
Na5 O8 2.419(10) 2_565
Na5 O1 2.490(10) 1_455
Na5 O6 2.524(11) 2_565
Na5 C2 2.994(13) 2_565
Na5 C3 3.081(13) 2_565
Na5 C4 3.121(13) .
Na5 Na7 3.236(10) 1_556
Na5 Na6 3.524(10) .
Na6 F2 2.271(11) .
Na6 F3 2.363(11) .
Na6 O4 2.434(10) 2_565
Na6 O12 2.456(13) .
Na6 O1 2.511(10) .
Na6 O7 2.644(12) 2_565
Na6 C3 2.967(12) 2_565
Na6 C1 3.075(12) .
Na6 Na4 3.261(10) 1_656
Na6 Na7 3.308(6) .
Na6 Na5 3.549(10) 1_655
Na7 F3 2.297(11) .
Na7 F1 2.398(12) 1_554
Na7 O4 2.397(10) 2_564
Na7 O8 2.402(11) 2_564
Na7 O12 2.443(10) .
Na7 O5 2.611(9) .
Na7 C4 2.882(13) .
Na7 O11 2.984(13) .
Na7 C3 3.060(12) 2_564
Na7 Na5 3.236(10) 1_554
C1 O1 1.243(13) .
C1 O5 1.268(11) .
C1 O2 1.314(12) .
C1 Lu3 2.810(11) 4_565
C1 Na4 3.075(12) 1_655
C2 O3 1.240(15) .
C2 O8 1.252(12) .
C2 O7 1.336(15) 1_455
C2 Na2 2.916(12) 1_445
C2 Lu2 2.916(12) 1_445
C2 Na5 2.994(13) 2_564
C2 Na1 3.000(14) 1_545
C2 Na4 3.091(12) 2_565
C3 O4 1.269(12) .
C3 O6 1.273(15) .
C3 O9 1.310(14) .
C3 Na1 2.880(11) 1_545
C3 Lu1 2.880(11) 1_545
C3 Na6 2.967(12) 2_564
C3 Na7 3.060(11) 2_565
C3 Na2 3.110(11) 1_545
C3 Na5 3.081(13) 2_564
C4 O12 1.229(15) .
C4 O11 1.296(11) .
C4 O10 1.311(14) .
O1 Na4 2.398(9) 1_655
O1 Na5 2.490(10) 1_655
O2 Lu3 2.286(8) 1_656
O2 Lu3 2.435(7) 4_565
O2 Na3 2.529(13) 4_565
O3 Na1 2.330(9) 1_545
O3 Lu1 2.330(9) 1_545
O3 Na1 2.353(9) 2_565
O3 Lu1 2.353(9) 2_565
O3 Na2 2.523(9) 1_445
O3 Lu2 2.523(9) 1_445
O4 Na7 2.397(10) 2_565
O4 Na6 2.434(10) 2_564
O4 Na4 2.446(10) 2_665
O5 Lu3 2.365(7) 4_565
O6 Na1 2.347(9) 2_564
O6 Lu1 2.347(9) 2_564
O6 Lu1 2.503(12) 1_545
O6 Na1 2.503(12) 1_545
O6 Na5 2.524(11) 2_564
O7 C2 1.336(15) 1_655
O7 Na2 2.316(9) 2_564
O7 Lu2 2.316(9) 2_564
O7 Lu2 2.472(11) 1_545
O7 Na2 2.472(11) 1_545
O7 Na6 2.644(12) 2_564
O8 Na7 2.402(11) 2_565
O8 Na5 2.419(10) 2_564
O8 Na4 2.430(10) 2_565
O9 Na2 2.358(10) 1_545
O9 Lu2 2.358(10) 1_545
O9 Na2 2.362(9) 2_565
O9 Lu2 2.362(9) 2_565
O9 Na1 2.503(9) 1_545
O9 Lu1 2.503(9) 1_545
O10 Lu3 2.195(8) 4_565
O10 Na3 2.567(16) 1_556
O10 Na3 2.658(16) 4_465
O11 Na3 2.924(15) 4_465
F1 Lu3 2.075(9) 1_556
F1 Na3 2.295(14) 1_556
F1 Na7 2.398(12) 1_556
F2 Lu3 2.160(8) 1_656
F2 Na4 2.277(12) 1_656
F2 Na3 2.282(14) 1_556
F4 Na2 2.151(10) 1_455
F4 Lu2 2.151(10) 1_455
