#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:40:00 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179388 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/85/4328578.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_4328578
loop_
_publ_author_name
'Geng Bang Jin'
'S. Skanthakumar'
'L. Soderholm'
_publ_contact_author_address
;
       Chemical Sciences and Engineering Division
       Argonne National Laboratory
       Argonne, IL 60439, USA
;
_publ_contact_author_email       gjin@anl.gov
_publ_contact_author_fax         '+1 630 252 4225'
_publ_contact_author_name        'Geng Bang Jin'
_publ_contact_author_phone       '+1 630 252 3658'
_publ_section_title
;
 Three New Sodium Neptunyl(V) Selenate Hydrates: Structures, Raman
 Spectroscopy, and Magnetism
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3220
_journal_page_last               3230
_journal_paper_doi               10.1021/ic202703j
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'Na3 (Np O2) (Se O4)2 (H2 O)'
_chemical_formula_sum            'H2 Na3 Np O11 Se2'
_chemical_formula_weight         641.91
_chemical_name_common
'Trisodium dioxoneptunium(V) bis(selenate) hydrate'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.113(3)
_cell_angle_beta                 95.914(3)
_cell_angle_gamma                112.149(2)
_cell_formula_units_Z            2
_cell_length_a                   6.9742(12)
_cell_length_b                   7.9833(14)
_cell_length_c                   9.6904(17)
_cell_measurement_reflns_used    3197
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      33.20
_cell_measurement_theta_min      4.93
_cell_volume                     496.57(15)
_computing_cell_refinement       'Bruker APEX2'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'CrystalMaker for Windows ver. 2.0.6 (2008)'
_computing_publication_material  'SHELXTL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.933
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '0.3 wide w/ exposures'
_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  0.0312
_diffrn_reflns_av_sigmaI/netI    0.0455
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8525
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         33.51
_diffrn_reflns_theta_min         4.23
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    17.974
_exptl_absorpt_correction_T_max  0.328
_exptl_absorpt_correction_T_min  0.165
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    4.293
_exptl_crystal_description       prism
_exptl_crystal_F_000             568
_exptl_crystal_size_max          0.105
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.062
_refine_diff_density_max         2.094
_refine_diff_density_min         -1.468
_refine_diff_density_rms         0.311
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     162
_refine_ls_number_reflns         3630
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0374
_refine_ls_R_factor_gt           0.0288
_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)+(0.0259P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0571
_refine_ls_wR_factor_ref         0.0596
_reflns_number_gt                3107
_reflns_number_total             3630
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic202703j_si_001_3.cif
_cod_data_source_block           compound(2)
_cod_database_code               4328578
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Na1 Na 0.1097(3) 0.7274(3) 0.39970(19) 0.0115(4) Uani 1 1 d .
Na2 Na 0.1575(3) 0.2122(3) 0.90919(19) 0.0119(4) Uani 1 1 d .
Na3 Na 0.4592(3) 0.0824(3) 0.1848(2) 0.0137(4) Uani 1 1 d .
Np1 Np 0.08902(3) 0.27105(2) 0.260055(18) 0.00758(5) Uani 1 1 d .
Se1 Se 0.28494(7) 0.68430(6) 0.04795(5) 0.00834(9) Uani 1 1 d .
Se2 Se 0.29850(7) 0.12776(6) 0.58792(4) 0.00816(9) Uani 1 1 d .
O1 O 0.0791(5) 0.4266(5) 0.3931(3) 0.0131(7) Uani 1 1 d .
O2 O 0.0986(5) 0.1037(4) 0.1342(3) 0.0122(6) Uani 1 1 d .
O3 O 0.1605(5) 0.7578(5) 0.1512(3) 0.0129(7) Uani 1 1 d .
O4 O 0.1819(5) 0.0768(4) 0.4275(3) 0.0108(6) Uani 1 1 d .
O5 O 0.2145(5) 0.2602(4) 0.6716(3) 0.0116(6) Uani 1 1 d .
O6 O 0.2717(5) 0.4799(4) 0.0868(3) 0.0100(6) Uani 1 1 d .
O7 O 0.4859(5) 0.3677(5) 0.3169(4) 0.0126(7) Uani 1 1 d D
O8 O 0.5271(5) 0.8267(5) 0.0597(4) 0.0127(7) Uani 1 1 d .
O9 O 0.5463(5) 0.2274(5) 0.5778(4) 0.0133(7) Uani 1 1 d .
O10 O 0.7507(5) 0.0645(4) 0.3349(3) 0.0111(6) Uani 1 1 d .
O11 O 0.8097(5) 0.3233(5) 0.1158(3) 0.0120(6) Uani 1 1 d .
H1 H 0.516(12) 0.330(9) 0.392(5) 0.06(3) Uiso 1 1 d D
H2 H 0.562(8) 0.476(3) 0.312(6) 0.019(16) Uiso 1 1 d D
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 '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'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Np Np -11.4937 4.1493 '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
O9 Na1 O1 81.00(14) 2_666 .
O9 Na1 O5 163.88(15) 2_666 2_566
O1 Na1 O5 109.14(14) . 2_566
O9 Na1 O3 82.49(13) 2_666 .
O1 Na1 O3 92.25(13) . .
O5 Na1 O3 84.57(13) 2_566 .
O9 Na1 O1 113.60(14) 2_666 2_566
O1 Na1 O1 71.93(14) . 2_566
O5 Na1 O1 81.94(13) 2_566 2_566
O3 Na1 O1 154.35(14) . 2_566
O9 Na1 O4 93.77(13) 2_666 1_565
O1 Na1 O4 173.59(14) . 1_565
O5 Na1 O4 76.79(12) 2_566 1_565
O3 Na1 O4 90.72(12) . 1_565
O1 Na1 O4 107.18(12) 2_566 1_565
O9 Na1 O10 79.61(12) 2_666 2_666
O1 Na1 O10 118.68(13) . 2_666
O5 Na1 O10 104.96(12) 2_566 2_666
O3 Na1 O10 140.79(13) . 2_666
O1 Na1 O10 64.31(11) 2_566 2_666
O4 Na1 O10 56.30(10) 1_565 2_666
O9 Na1 Se2 81.40(10) 2_666 1_565
O1 Na1 Se2 145.92(11) . 1_565
O5 Na1 Se2 95.22(10) 2_566 1_565
O3 Na1 Se2 114.03(11) . 1_565
O1 Na1 Se2 88.93(9) 2_566 1_565
O4 Na1 Se2 28.35(7) 1_565 1_565
O10 Na1 Se2 28.80(6) 2_666 1_565
O9 Na1 Se2 152.82(12) 2_666 2_566
O1 Na1 Se2 125.40(11) . 2_566
O5 Na1 Se2 24.01(8) 2_566 2_566
O3 Na1 Se2 100.88(10) . 2_566
O1 Na1 Se2 74.22(9) 2_566 2_566
O4 Na1 Se2 59.42(8) 1_565 2_566
O10 Na1 Se2 81.19(8) 2_666 2_566
Se2 Na1 Se2 72.55(4) 1_565 2_566
O9 Na1 Na2 123.18(12) 2_666 2_566
O1 Na1 Na2 106.49(11) . 2_566
O5 Na1 Na2 42.80(9) 2_566 2_566
O3 Na1 Na2 41.87(9) . 2_566
O1 Na1 Na2 122.35(10) 2_566 2_566
O4 Na1 Na2 79.45(9) 1_565 2_566
O10 Na1 Na2 132.58(9) 2_666 2_566
Se2 Na1 Na2 107.58(6) 1_565 2_566
Se2 Na1 Na2 60.36(5) 2_566 2_566
O9 Na1 Np1 112.38(11) 2_666 2_566
O1 Na1 Np1 97.46(10) . 2_566
O5 Na1 Np1 79.42(9) 2_566 2_566
O3 Na1 Np1 163.29(10) . 2_566
O1 Na1 Np1 26.44(8) 2_566 2_566
O4 Na1 Np1 81.05(8) 1_565 2_566
O10 Na1 Np1 42.21(7) 2_666 2_566
Se2 Na1 Np1 63.22(3) 1_565 2_566
Se2 Na1 Np1 62.41(3) 2_566 2_566
Na2 Na1 Np1 121.76(6) 2_566 2_566
O9 Na1 Na3 62.28(10) 2_666 1_565
O1 Na1 Na3 123.17(11) . 1_565
O5 Na1 Na3 101.65(11) 2_566 1_565
O3 Na1 Na3 44.23(9) . 1_565
O1 Na1 Na3 160.81(10) 2_566 1_565
O4 Na1 Na3 56.37(9) 1_565 1_565
O10 Na1 Na3 96.69(9) 2_666 1_565
Se2 Na1 Na3 72.03(5) 1_565 1_565
Se2 Na1 Na3 101.36(6) 2_566 1_565
Na2 Na1 Na3 67.75(5) 2_566 1_565
Np1 Na1 Na3 135.08(6) 2_566 1_565
O8 Na2 O3 172.88(15) 2_666 2_566
O8 Na2 O2 87.76(13) 2_666 1_556
O3 Na2 O2 98.23(14) 2_566 1_556
O8 Na2 O5 86.93(13) 2_666 .
O3 Na2 O5 86.47(13) 2_566 .
O2 Na2 O5 168.12(15) 1_556 .
O8 Na2 O2 102.39(13) 2_666 2_556
O3 Na2 O2 75.54(13) 2_566 2_556
O2 Na2 O2 76.03(14) 1_556 2_556
O5 Na2 O2 94.75(13) . 2_556
O8 Na2 O6 94.67(13) 2_666 1_556
O3 Na2 O6 90.99(13) 2_566 1_556
O2 Na2 O6 70.22(12) 1_556 1_556
O5 Na2 O6 120.83(13) . 1_556
O2 Na2 O6 141.35(13) 2_556 1_556
O8 Na2 Na1 128.33(11) 2_666 2_566
O3 Na2 Na1 44.89(9) 2_566 2_566
O2 Na2 Na1 141.09(11) 1_556 2_566
O5 Na2 Na1 41.68(9) . 2_566
O2 Na2 Na1 81.53(10) 2_556 2_566
O6 Na2 Na1 114.11(10) 1_556 2_566
O8 Na2 Se2 70.01(10) 2_666 .
O3 Na2 Se2 102.90(10) 2_566 .
O2 Na2 Se2 144.62(11) 1_556 .
O5 Na2 Se2 23.99(8) . .
O2 Na2 Se2 82.15(9) 2_556 .
O6 Na2 Se2 136.48(10) 1_556 .
Na1 Na2 Se2 59.43(4) 2_566 .
O8 Na2 Np1 99.59(10) 2_666 1_556
O3 Na2 Np1 87.48(10) 2_566 1_556
O2 Na2 Np1 28.18(8) 1_556 1_556
O5 Na2 Np1 163.70(11) . 1_556
O2 Na2 Np1 98.37(10) 2_556 1_556
O6 Na2 Np1 44.16(8) 1_556 1_556
Na1 Na2 Np1 131.22(7) 2_566 1_556
Se2 Na2 Np1 169.34(6) . 1_556
O8 Na2 Na3 42.68(10) 2_666 1_556
O3 Na2 Na3 143.49(11) 2_566 1_556
O2 Na2 Na3 45.27(9) 1_556 1_556
O5 Na2 Na3 129.34(11) . 1_556
O2 Na2 Na3 92.37(10) 2_556 1_556
O6 Na2 Na3 77.11(9) 1_556 1_556
Na1 Na2 Na3 167.85(8) 2_566 1_556
Se2 Na2 Na3 109.48(6) . 1_556
Np1 Na2 Na3 59.89(4) 1_556 1_556
O8 Na2 Na2 96.62(11) 2_666 2_557
O3 Na2 Na2 85.77(11) 2_566 2_557
O2 Na2 Na2 39.11(9) 1_556 2_557
O5 Na2 Na2 131.27(13) . 2_557
O2 Na2 Na2 36.93(8) 2_556 2_557
O6 Na2 Na2 107.35(11) 1_556 2_557
Na1 Na2 Na2 112.71(8) 2_566 2_557
Se2 Na2 Na2 114.58(8) . 2_557
Np1 Na2 Na2 63.19(5) 1_556 2_557
Na3 Na2 Na2 65.87(6) 1_556 2_557
O8 Na2 Np1 87.80(10) 2_666 2_556
O3 Na2 Np1 88.13(10) 2_566 2_556
O2 Na2 Np1 92.25(10) 1_556 2_556
O5 Na2 Np1 76.93(10) . 2_556
O2 Na2 Np1 22.44(8) 2_556 2_556
O6 Na2 Np1 162.14(10) 1_556 2_556
Na1 Na2 Np1 77.21(5) 2_566 2_556
Se2 Na2 Np1 60.77(3) . 2_556
Np1 Na2 Np1 117.99(5) 1_556 2_556
Na3 Na2 Np1 93.14(5) 1_556 2_556
Na2 Na2 Np1 54.80(5) 2_557 2_556
O10 Na3 O8 124.75(14) . 2_665
O10 Na3 O7 91.15(13) . .
O8 Na3 O7 103.29(13) 2_665 .
O10 Na3 O2 154.24(14) . .
O8 Na3 O2 79.93(12) 2_665 .
O7 Na3 O2 74.26(12) . .
O10 Na3 O8 78.33(12) . 1_545
O8 Na3 O8 76.48(13) 2_665 1_545
O7 Na3 O8 166.44(14) . 1_545
O2 Na3 O8 118.64(12) . 1_545
O10 Na3 O11 70.32(12) . .
O8 Na3 O11 61.74(11) 2_665 .
O7 Na3 O11 77.63(12) . .
O2 Na3 O11 124.79(13) . .
O8 Na3 O11 90.66(12) 1_545 .
O10 Na3 O3 108.96(13) . 1_545
O8 Na3 O3 100.25(12) 2_665 1_545
O7 Na3 O3 131.52(13) . 1_545
O2 Na3 O3 68.97(12) . 1_545
O8 Na3 O3 61.03(11) 1_545 1_545
O11 Na3 O3 150.32(13) . 1_545
O10 Na3 Se1 98.26(10) . 1_545
O8 Na3 Se1 83.66(10) 2_665 1_545
O7 Na3 Se1 162.27(11) . 1_545
O2 Na3 Se1 91.25(9) . 1_545
O8 Na3 Se1 30.86(8) 1_545 1_545
O11 Na3 Se1 119.68(10) . 1_545
O3 Na3 Se1 30.87(8) 1_545 1_545
O10 Na3 Se1 97.85(10) . 2_665
O8 Na3 Se1 30.55(8) 2_665 2_665
O7 Na3 Se1 91.13(10) . 2_665
O2 Na3 Se1 103.44(10) . 2_665
O8 Na3 Se1 81.97(9) 1_545 2_665
O11 Na3 Se1 31.19(7) . 2_665
O3 Na3 Se1 127.02(10) 1_545 2_665
Se1 Na3 Se1 102.34(6) 1_545 2_665
O10 Na3 Se2 25.58(8) . 2_656
O8 Na3 Se2 137.37(11) 2_665 2_656
O7 Na3 Se2 105.13(10) . 2_656
O2 Na3 Se2 138.40(10) . 2_656
O8 Na3 Se2 68.58(9) 1_545 2_656
O11 Na3 Se2 94.40(9) . 2_656
O3 Na3 Se2 83.80(9) 1_545 2_656
Se1 Na3 Se2 78.79(5) 1_545 2_656
Se1 Na3 Se2 118.12(6) 2_665 2_656
O10 Na3 Np1 129.09(11) . .
O8 Na3 Np1 95.57(10) 2_665 .
O7 Na3 Np1 46.07(8) . .
O2 Na3 Np1 29.33(8) . .
O8 Na3 Np1 147.33(10) 1_545 .
O11 Na3 Np1 113.71(10) . .
O3 Na3 Np1 90.16(9) 1_545 .
Se1 Na3 Np1 117.69(6) 1_545 .
Se1 Na3 Np1 107.30(6) 2_665 .
Se2 Na3 Np1 126.99(6) 2_656 .
O10 Na3 Na2 161.80(11) . 1_554
O8 Na3 Na2 39.46(9) 2_665 1_554
O7 Na3 Na2 86.13(10) . 1_554
O2 Na3 Na2 40.63(8) . 1_554
O8 Na3 Na2 101.17(10) 1_545 1_554
O11 Na3 Na2 91.54(9) . 1_554
O3 Na3 Na2 85.98(9) 1_545 1_554
Se1 Na3 Na2 89.38(6) 1_545 1_554
Se1 Na3 Na2 64.26(5) 2_665 1_554
Se2 Na3 Na2 168.17(7) 2_656 1_554
Np1 Na3 Na2 58.84(4) . 1_554
O1 Np1 O2 176.38(15) . .
O1 Np1 O11 89.68(13) . 1_455
O2 Np1 O11 92.72(13) . 1_455
O1 Np1 O4 93.85(13) . .
O2 Np1 O4 82.66(13) . .
O11 Np1 O4 146.64(11) 1_455 .
O1 Np1 O6 101.83(13) . .
O2 Np1 O6 81.39(13) . .
O11 Np1 O6 76.19(11) 1_455 .
O4 Np1 O6 134.83(11) . .
O1 Np1 O10 84.51(13) . 1_455
O2 Np1 O10 93.63(13) . 1_455
O11 Np1 O10 72.31(11) 1_455 1_455
O4 Np1 O10 75.02(11) . 1_455
O6 Np1 O10 147.83(10) . 1_455
O1 Np1 O7 92.05(13) . .
O2 Np1 O7 87.50(13) . .
O11 Np1 O7 145.63(11) 1_455 .
O4 Np1 O7 67.47(11) . .
O6 Np1 O7 69.86(11) . .
O10 Np1 O7 142.02(11) 1_455 .
O1 Np1 Na2 145.99(11) . 1_554
O2 Np1 Na2 37.60(11) . 1_554
O11 Np1 Na2 72.53(8) 1_455 1_554
O4 Np1 Na2 117.08(9) . 1_554
O6 Np1 Na2 46.52(8) . 1_554
O10 Np1 Na2 115.56(8) 1_455 1_554
O7 Np1 Na2 87.56(9) . 1_554
O1 Np1 Na3 134.97(11) . .
O2 Np1 Na3 43.66(11) . .
O11 Np1 Na3 132.70(8) 1_455 .
O4 Np1 Na3 60.44(9) . .
O6 Np1 Na3 79.26(8) . .
O10 Np1 Na3 118.36(8) 1_455 .
O7 Np1 Na3 45.39(9) . .
Na2 Np1 Na3 61.27(4) 1_554 .
O1 Np1 Na1 39.17(11) . 2_566
O2 Np1 Na1 137.63(11) . 2_566
O11 Np1 Na1 97.72(8) 1_455 2_566
O4 Np1 Na1 66.39(8) . 2_566
O6 Np1 Na1 140.98(8) . 2_566
O10 Np1 Na1 51.96(8) 1_455 2_566
O7 Np1 Na1 105.11(8) . 2_566
Na2 Np1 Na1 166.89(4) 1_554 2_566
Na3 Np1 Na1 125.90(4) . 2_566
O1 Np1 Na1 25.53(11) . .
O2 Np1 Na1 158.05(11) . .
O11 Np1 Na1 75.78(8) 1_455 .
O4 Np1 Na1 117.18(8) . .
O6 Np1 Na1 77.76(8) . .
O10 Np1 Na1 100.35(8) 1_455 .
O7 Np1 Na1 91.67(8) . .
Na2 Np1 Na1 120.46(4) 1_554 .
Na3 Np1 Na1 136.34(4) . .
Na1 Np1 Na1 63.52(5) 2_566 .
O1 Np1 Na2 146.69(11) . 2_556
O2 Np1 Na2 31.19(11) . 2_556
O11 Np1 Na2 84.63(9) 1_455 2_556
O4 Np1 Na2 74.38(8) . 2_556
O6 Np1 Na2 108.53(8) . 2_556
O10 Np1 Na2 62.48(8) 1_455 2_556
O7 Np1 Na2 110.84(9) . 2_556
Na2 Np1 Na2 62.01(5) 1_554 2_556
Na3 Np1 Na2 65.88(4) . 2_556
Na1 Np1 Na2 109.19(4) 2_566 2_556
Na1 Np1 Na2 157.47(4) . 2_556
O3 Se1 O8 108.67(17) . .
O3 Se1 O6 111.12(17) . .
O8 Se1 O6 110.81(17) . .
O3 Se1 O11 111.77(17) . 2_665
O8 Se1 O11 106.30(17) . 2_665
O6 Se1 O11 108.08(17) . 2_665
O3 Se1 Na3 56.01(13) . 1_565
O8 Se1 Na3 54.35(13) . 1_565
O6 Se1 Na3 139.51(12) . 1_565
O11 Se1 Na3 112.27(13) 2_665 1_565
O3 Se1 Na3 123.86(13) . 2_665
O8 Se1 Na3 50.49(13) . 2_665
O6 Se1 Na3 124.92(12) . 2_665
O11 Se1 Na3 55.83(12) 2_665 2_665
Na3 Se1 Na3 77.66(6) 1_565 2_665
O9 Se2 O5 110.19(18) . .
O9 Se2 O10 110.28(17) . 2_656
O5 Se2 O10 110.55(17) . 2_656
O9 Se2 O4 107.29(17) . .
O5 Se2 O4 111.73(17) . .
O10 Se2 O4 106.71(17) 2_656 .
O9 Se2 Na1 109.56(13) . 1_545
O5 Se2 Na1 139.85(13) . 1_545
O10 Se2 Na1 59.27(12) 2_656 1_545
O4 Se2 Na1 49.56(12) . 1_545
O9 Se2 Na3 73.62(13) . 2_656
O5 Se2 Na3 111.10(12) . 2_656
O10 Se2 Na3 39.65(12) 2_656 2_656
O4 Se2 Na3 133.42(12) . 2_656
Na1 Se2 Na3 85.37(5) 1_545 2_656
O9 Se2 Na1 134.85(13) . 2_566
O5 Se2 Na1 35.45(12) . 2_566
O10 Se2 Na1 110.42(12) 2_656 2_566
O4 Se2 Na1 78.59(12) . 2_566
Na1 Se2 Na1 107.45(4) 1_545 2_566
Na3 Se2 Na1 134.65(5) 2_656 2_566
O9 Se2 Na2 112.64(13) . .
O5 Se2 Na2 36.29(12) . .
O10 Se2 Na2 76.46(12) 2_656 .
O4 Se2 Na2 135.90(12) . .
Na1 Se2 Na2 126.78(5) 1_545 .
Na3 Se2 Na2 77.07(5) 2_656 .
Na1 Se2 Na2 60.21(4) 2_566 .
Np1 O1 Na1 134.87(18) . .
Np1 O1 Na1 114.39(16) . 2_566
Na1 O1 Na1 108.07(14) . 2_566
Np1 O2 Na2 114.22(16) . 1_554
Np1 O2 Na2 126.37(17) . 2_556
Na2 O2 Na2 103.97(13) 1_554 2_556
Np1 O2 Na3 107.02(15) . .
Na2 O2 Na3 94.10(13) 1_554 .
Na2 O2 Na3 106.21(14) 2_556 .
Se1 O3 Na2 125.75(18) . 2_566
Se1 O3 Na1 134.52(19) . .
Na2 O3 Na1 93.25(13) 2_566 .
Se1 O3 Na3 93.12(15) . 1_565
Na2 O3 Na3 109.04(15) 2_566 1_565
Na1 O3 Na3 94.98(13) . 1_565
Se2 O4 Np1 129.17(18) . .
Se2 O4 Na1 102.10(15) . 1_545
Np1 O4 Na1 128.71(13) . 1_545
Se2 O5 Na1 120.54(17) . 2_566
Se2 O5 Na2 119.73(18) . .
Na1 O5 Na2 95.52(14) 2_566 .
Se1 O6 Np1 131.77(17) . .
Se1 O6 Na2 123.96(16) . 1_554
Np1 O6 Na2 89.32(11) . 1_554
Na3 O7 Np1 88.54(11) . .
Na3 O7 H1 92(5) . .
Np1 O7 H1 111(6) . .
Na3 O7 H2 132(4) . .
Np1 O7 H2 119(4) . .
H1 O7 H2 110(4) . .
Se1 O8 Na2 132.62(19) . 2_666
Se1 O8 Na3 98.96(16) . 2_665
Na2 O8 Na3 97.86(14) 2_666 2_665
Se1 O8 Na3 94.79(15) . 1_565
Na2 O8 Na3 123.46(15) 2_666 1_565
Na3 O8 Na3 103.52(13) 2_665 1_565
Se2 O9 Na1 159.0(2) . 2_666
Se2 O10 Na3 114.77(17) 2_656 .
Se2 O10 Np1 127.88(17) 2_656 1_655
Na3 O10 Np1 110.93(13) . 1_655
Se2 O10 Na1 91.92(14) 2_656 2_666
Na3 O10 Na1 120.22(14) . 2_666
Np1 O10 Na1 85.84(10) 1_655 2_666
Se1 O11 Np1 140.96(18) 2_665 1_655
Se1 O11 Na3 92.98(15) 2_665 .
Np1 O11 Na3 106.01(13) 1_655 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Na1 O9 2.274(4) 2_666
Na1 O1 2.329(4) .
Na1 O5 2.333(4) 2_566
Na1 O3 2.469(4) .
Na1 O1 2.571(4) 2_566
Na1 O4 2.649(4) 1_565
Na1 O10 2.928(4) 2_666
Na1 Se2 3.404(2) 1_565
Na1 Se2 3.465(2) 2_566
Na1 Na2 3.493(3) 2_566
Na1 Np1 3.708(2) 2_566
Na1 Na3 3.764(3) 1_565
Na2 O8 2.325(4) 2_666
Na2 O3 2.335(4) 2_566
Na2 O2 2.366(4) 1_556
Na2 O5 2.384(4) .
Na2 O2 2.484(4) 2_556
Na2 O6 2.566(4) 1_556
Na2 Na1 3.493(3) 2_566
Na2 Se2 3.498(2) .
Na2 Np1 3.536(2) 1_556
Na2 Na3 3.624(3) 1_556
Na2 Na2 3.822(4) 2_557
Na2 Np1 3.863(2) 2_556
Na3 O10 2.425(4) .
Na3 O8 2.480(4) 2_665
Na3 O7 2.546(4) .
Na3 O2 2.581(4) .
Na3 O8 2.588(4) 1_545
Na3 O11 2.631(4) .
Na3 O3 2.636(4) 1_545
Na3 Se1 3.174(2) 1_545
Na3 Se1 3.175(2) 2_665
Na3 Se2 3.450(2) 2_656
Na3 Np1 3.575(2) .
Na3 Na2 3.624(3) 1_554
Np1 O1 1.813(3) .
Np1 O2 1.831(3) .
Np1 O11 2.445(3) 1_455
Np1 O4 2.451(3) .
Np1 O6 2.464(3) .
Np1 O10 2.497(3) 1_455
Np1 O7 2.576(3) .
Np1 Na2 3.536(2) 1_554
Np1 Na1 3.708(2) 2_566
Np1 Na2 3.863(2) 2_556
Se1 O3 1.631(3) .
Se1 O8 1.634(3) .
Se1 O6 1.646(3) .
Se1 O11 1.646(3) 2_665
Se1 Na3 3.174(2) 1_565
Se1 Na3 3.175(2) 2_665
Se2 O9 1.621(3) .
Se2 O5 1.637(3) .
Se2 O10 1.641(3) 2_656
Se2 O4 1.653(3) .
Se2 Na1 3.404(2) 1_545
Se2 Na3 3.450(2) 2_656
Se2 Na1 3.465(2) 2_566
O1 Na1 2.571(4) 2_566
O2 Na2 2.366(4) 1_554
O2 Na2 2.484(4) 2_556
O3 Na2 2.335(4) 2_566
O3 Na3 2.636(4) 1_565
O4 Na1 2.649(4) 1_545
O5 Na1 2.334(4) 2_566
O6 Na2 2.566(4) 1_554
O7 H1 0.829(19) .
O7 H2 0.830(19) .
O8 Na2 2.325(4) 2_666
O8 Na3 2.480(4) 2_665
O8 Na3 2.588(4) 1_565
O9 Na1 2.274(4) 2_666
O10 Se2 1.641(3) 2_656
O10 Np1 2.497(3) 1_655
O10 Na1 2.928(4) 2_666
O11 Se1 1.646(3) 2_665
O11 Np1 2.445(3) 1_655
