#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/63/2206345.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2206345
loop_
_publ_author_name
'Chun-An Ma'
'Ai-Li Xie'
'Lian-Bang Wang'
_publ_section_title
;
 Polymeric bis(lithium disodium nonahydrate) decavanadate,
 {[LiNa₂(H₂O)₉]₂[V₁₀O₂₈]}ₙ
;
_journal_coeditor_code           BR6199
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i185
_journal_page_last               i187
_journal_paper_doi               10.1107/S1600536805023123
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Li2 Na4 (H2 O)18 V10 O28]'
_chemical_formula_moiety         'H36 Li2 Na4 O46 V10'
_chemical_formula_structural     '(Li Na2 (H2 O)9)2 V10 O28'
_chemical_formula_sum            'H36 Li2 Na4 O46 V10'
_chemical_formula_weight         1387.51
_chemical_name_systematic
;
poly[penta-μ-aqua-tetraaqua-μ-decavanadato-lithium(I)disodium(I)]
;
_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   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                105.636(3)
_cell_angle_beta                 101.852(3)
_cell_angle_gamma                99.257(3)
_cell_formula_units_Z            1
_cell_length_a                   8.5386(6)
_cell_length_b                   10.6333(7)
_cell_length_c                   11.8912(6)
_cell_measurement_reflns_used    5541
_cell_measurement_temperature    273.0(10)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.5
_cell_volume                     990.39(11)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 2002)'
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2004)'
_computing_molecular_graphics    'WinGX (Farrugia, 1999)'
_computing_publication_material  CrystalStructure
_computing_structure_refinement  'CRYSTALS (Watkin et al., 1996)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9848
_diffrn_measured_fraction_theta_max 0.9865
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.024
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9308
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    2.421
_exptl_absorpt_correction_T_max  0.616
_exptl_absorpt_correction_T_min  0.438
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.326
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             684.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.48
_refine_diff_density_min         -0.52
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     280
_refine_ls_number_reflns         4467
_refine_ls_R_factor_gt           0.0270
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[0.001Fo² + σ(Fo²)]/(4Fo²)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0970
_reflns_number_gt                3990
_reflns_number_total             4471
_reflns_threshold_expression     F²>2σ(F²)
_cod_data_source_file            br6199.cif
_cod_data_source_block           I
_cod_original_cell_volume        990.40(10)
_cod_database_code               2206345
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_type_symbol
V1 0.78731(4) 0.66163(3) 0.27151(3) 0.01683(9) Uani d . 1.00 V
V2 0.59589(4) 0.76990(3) 0.07942(3) 0.01567(9) Uani d . 1.00 V
V3 0.30870(4) 0.51024(3) -0.00358(3) 0.01229(9) Uani d . 1.00 V
V4 0.50849(4) 0.40158(3) 0.18695(3) 0.01479(9) Uani d . 1.00 V
V5 0.42980(4) 0.68105(3) 0.26387(3) 0.01749(9) Uani d . 1.00 V
Na1 0.22480(10) 0.85169(9) 0.51660(8) 0.0262(2) Uani d . 1.00 Na
Na2 -0.00620(10) 0.74750(10) 0.68900(10) 0.0418(3) Uani d . 1.00 Na
O1 0.9595(2) 0.7141(2) 0.37110(10) 0.0272(4) Uani d . 1.00 O
O2 0.7894(2) 0.79200(10) 0.19620(10) 0.0182(3) Uani d . 1.00 O
O3 0.6315(2) 0.90240(10) 0.04020(10) 0.0252(4) Uani d . 1.00 O
O4 0.3971(2) 0.66510(10) -0.04930(10) 0.0138(3) Uani d . 1.00 O
O5 0.1470(2) 0.44540(10) -0.12850(10) 0.0165(3) Uani d . 1.00 O
O6 0.3151(2) 0.35440(10) 0.04010(10) 0.0138(3) Uani d . 1.00 O
O7 0.4710(2) 0.26600(10) 0.22330(10) 0.0225(4) Uani d . 1.00 O
O8 0.7085(2) 0.48850(10) 0.28310(10) 0.0179(3) Uani d . 1.00 O
O9 0.54460(10) 0.57390(10) 0.11620(10) 0.0132(3) Uani d . 1.00 O
O10 0.6422(2) 0.72550(10) 0.35510(10) 0.0193(3) Uani d . 1.00 O
O11 0.4782(2) 0.81220(10) 0.18770(10) 0.0198(3) Uani d . 1.00 O
O12 0.2404(2) 0.59910(10) 0.10890(10) 0.0176(3) Uani d . 1.00 O
O13 0.3961(2) 0.50800(10) 0.27390(10) 0.0173(3) Uani d . 1.00 O
O14 0.3319(2) 0.7523(2) 0.35460(10) 0.0284(4) Uani d . 1.00 O
O15 0.2600(2) 1.0422(2) 0.45210(10) 0.0290(4) Uani d . 1.00 O
O16 0.4808(2) 0.93120(10) 0.66520(10) 0.0291(4) Uani d . 1.00 O
O17 0.0608(2) 0.9448(2) 0.6432(2) 0.0303(4) Uani d . 1.00 O
O18 0.1555(2) 0.6484(2) 0.5706(2) 0.0383(5) Uani d . 1.00 O
O19 -0.2580(3) 0.6177(2) 0.5676(2) 0.0551(7) Uani d . 1.00 O
O20 0.2060(2) 0.83050(10) 0.8840(2) 0.0298(4) Uani d . 1.00 O
O21 -0.0552(2) 0.6102(2) 0.8107(2) 0.0285(4) Uani d . 1.00 O
O22 -0.1331(2) 0.8813(2) 0.8537(2) 0.0358(5) Uani d . 1.00 O
O23 0.0669(2) 0.8304(2) 1.1090(2) 0.0321(4) Uani d . 1.00 O
Li1 0.0023(5) 0.7854(4) 0.9355(4) 0.0340(10) Uani d . 1.00 Li
H1 0.3040 1.1184 0.5160 0.032 Uiso d R 1.00 H
H2 0.3360 1.0424 0.4150 0.033 Uiso d R 1.00 H
H3 0.4931 0.9971 0.7087 0.034 Uiso d R 1.00 H
H4 0.4981 0.8701 0.6957 0.034 Uiso d R 1.00 H
H5 0.1117 1.0212 0.7000 0.034 Uiso d R 1.00 H
H6 -0.0223 0.9621 0.6180 0.034 Uiso d R 1.00 H
H7 0.1000 0.5845 0.5005 0.047 Uiso d R 1.00 H
H8 0.2114 0.6055 0.6145 0.047 Uiso d R 1.00 H
H9 -0.3278 0.5786 0.5993 0.069 Uiso d R 1.00 H
H10 -0.3240 0.6463 0.5216 0.069 Uiso d R 1.00 H
H11 0.2581 0.9020 0.8985 0.038 Uiso d R 1.00 H
H12 0.2702 0.7770 0.8995 0.038 Uiso d R 1.00 H
H13 -0.1388 0.5683 0.7907 0.039 Uiso d R 1.00 H
H14 -0.0028 0.5453 0.8247 0.038 Uiso d R 1.00 H
H15 -0.1177 0.9643 0.8520 0.043 Uiso d R 1.00 H
H16 -0.2298 0.8553 0.8370 0.043 Uiso d R 1.00 H
H17 -0.0150 0.8087 1.1475 0.041 Uiso d R 1.00 H
H18 0.1230 0.7788 1.1285 0.041 Uiso d R 1.00 H
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
V V 0.300 0.529
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.011 0.006
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Li Li 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
Na Na 0.036 0.025
;
International Tables for Crystallography
(1992, 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_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O2 V1 O1 . . . 102.45(8) n
O5 V1 O1 66502 . . 100.94(8) n
O8 V1 O1 . . . 102.70(8) n
O9 V1 O1 . . . 175.59(7) n
O10 V1 O1 . . . 103.37(8) n
V1 O1 Na1 . . 65501 165.30(10) n
V1 O2 V2 . . . 114.48(7) n
O5 V1 O2 66502 . . 85.31(7) n
O8 V1 O2 . . . 153.82(5) n
O9 V1 O2 . . . 78.19(5) n
O10 V1 O2 . . . 92.30(7) n
V1 O5 V3 . 66502 66502 111.64(8) n
O8 V1 O5 . . 66502 82.89(6) n
O9 V1 O5 . . 66502 74.72(5) n
O10 V1 O5 . . 66502 155.51(5) n
V1 O8 V4 . . . 115.07(8) n
O9 V1 O8 . . . 76.18(5) n
O10 V1 O8 . . . 88.91(7) n
V1 O9 V2 . . . 85.88(4) n
V1 O9 V3 . . 66502 86.84(5) n
V1 O9 V4 . . . 86.42(5) n
V1 O9 V5 . . . 82.99(4) n
O10 V1 O9 . . . 80.93(5) n
V1 O9 V3 . . . 171.07(7) n
V1 O10 V5 . . . 114.05(7) n
O6 V2 O2 66502 . . 87.81(6) n
O9 V2 O2 . . . 80.41(6) n
O11 V2 O2 . . . 94.26(7) n
O3 V2 O2 . . . 102.12(7) n
O4 V2 O2 . . . 154.70(7) n
O6 V2 O3 66502 . . 99.58(8) n
O9 V2 O3 . . . 174.60(7) n
O11 V2 O3 . . . 103.55(8) n
O4 V2 O3 . . . 100.22(7) n
O6 V2 O4 66502 . . 76.86(5) n
O9 V2 O4 . . . 76.38(5) n
O11 V2 O4 . . . 91.90(6) n
V2 O4 V3 . . . 107.18(7) n
V2 O4 V4 . . 66502 101.48(6) n
V2 O6 V3 . 66502 66502 108.35(8) n
O9 V2 O6 . . 66502 75.64(6) n
O11 V2 O6 . . 66502 155.77(7) n
V2 O6 V4 . 66502 66502 98.10(6) n
V2 O9 V3 . . 66502 92.51(6) n
V2 O9 V4 . . . 169.81(6) n
V2 O9 V5 . . . 86.37(5) n
O11 V2 O9 . . . 80.90(6) n
V2 O9 V3 . . . 93.43(6) n
V2 O11 V5 . . . 114.80(8) n
O9 V3 O4 . . . 79.93(6) n
V3 O4 V4 . . 66502 107.56(6) n
O12 V3 O4 . . . 95.21(7) n
O5 V3 O4 . . . 94.93(7) n
O6 V3 O4 . . . 155.49(6) n
O9 V3 O4 66502 . . 79.16(6) n
O9 V3 O5 . . . 164.38(7) n
O12 V3 O5 . . . 107.46(7) n
V3 O5 V1 . . 66502 111.64(8) n
O6 V3 O5 . . . 98.51(7) n
O9 V3 O5 66502 . . 86.65(6) n
V3 O6 V4 . . . 107.10(6) n
O9 V3 O6 . . . 81.67(5) n
O12 V3 O6 . . . 100.14(7) n
V3 O6 V2 . . 66502 108.35(8) n
O9 V3 O6 66502 . . 81.26(6) n
V3 O9 V3 . . 66502 102.09(5) n
V3 O9 V4 . . . 93.14(5) n
V3 O9 V5 . . . 88.08(5) n
O12 V3 O9 . . . 87.79(6) n
O9 V3 O9 66502 . . 77.91(5) n
V3 O9 V3 . 66502 66502 102.09(5) n
V3 O9 V4 . 66502 66502 93.72(5) n
O12 V3 O9 . . 66502 165.31(5) n
V3 O9 V1 . 66502 66502 86.84(5) n
V3 O9 V2 . 66502 66502 92.51(6) n
V3 O12 V5 . . . 109.79(8) n
V4 O4 V3 . 66502 66502 107.56(6) n
O8 V4 O4 . . 66502 91.02(6) n
O9 V4 O4 . . 66502 76.64(6) n
O13 V4 O4 . . 66502 155.32(7) n
V4 O4 V2 . 66502 66502 101.48(6) n
O6 V4 O4 . . 66502 76.47(6) n
O7 V4 O4 . . 66502 99.44(8) n
O8 V4 O6 . . . 155.88(7) n
O9 V4 O6 . . . 75.49(5) n
O13 V4 O6 . . . 88.26(6) n
V4 O6 V2 . . 66502 98.10(6) n
O7 V4 O6 . . . 98.78(6) n
O8 V4 O7 . . . 103.63(7) n
O9 V4 O7 . . . 173.61(6) n
O13 V4 O7 . . . 102.00(8) n
O9 V4 O8 . . . 81.63(6) n
O13 V4 O8 . . . 95.63(6) n
V4 O9 V3 . . 66502 93.72(5) n
V4 O9 V5 . . . 86.07(5) n
O13 V4 O9 . . . 80.86(7) n
V4 O13 V5 . . . 113.31(9) n
V5 O9 V3 . . 66502 169.83(6) n
O10 V5 O9 . . . 82.03(6) n
O11 V5 O9 . . . 77.09(6) n
O13 V5 O9 . . . 78.16(6) n
O12 V5 O9 . . . 74.19(5) n
O14 V5 O9 . . . 173.62(7) n
O11 V5 O10 . . . 91.00(7) n
O13 V5 O10 . . . 92.73(7) n
O12 V5 O10 . . . 156.14(7) n
O14 V5 O10 . . . 104.24(7) n
O13 V5 O11 . . . 154.19(7) n
O12 V5 O11 . . . 82.00(6) n
O14 V5 O11 . . . 101.34(9) n
O13 V5 O12 . . . 84.35(6) n
O14 V5 O12 . . . 99.51(7) n
O14 V5 O13 . . . 102.45(9) n
V5 O14 Na1 . . . 169.40(10) y
O14 Na1 O1 . . 45501 82.08(6) y
O15 Na1 O1 . . 45501 100.99(7) y
O16 Na1 O1 . . 45501 165.59(8) y
O17 Na1 O1 . . 45501 86.07(6) y
O18 Na1 O1 . . 45501 72.77(7) y
Na1 O1 V1 . 45501 45501 165.30(10) y
O15 Na1 O14 . . . 85.26(7) y
O16 Na1 O14 . . . 95.90(7) y
O17 Na1 O14 . . . 166.61(7) y
O18 Na1 O14 . . . 95.67(8) y
O16 Na1 O15 . . . 93.03(6) y
O17 Na1 O15 . . . 90.94(7) y
O18 Na1 O15 . . . 173.44(7) y
O17 Na1 O16 . . . 97.12(6) y
O18 Na1 O16 . . . 93.33(7) y
Na1 O17 Na2 . . . 92.07(7) y
O18 Na1 O17 . . . 86.70(8) y
Na1 O18 Na2 . . . 90.55(8) y
O18 Na2 O17 . . . 90.67(8) y
O19 Na2 O17 . . . 111.36(9) y
O20 Na2 O17 . . . 93.17(7) y
O21 Na2 O17 . . . 157.35(7) y
O19 Na2 O18 . . . 97.34(8) y
O20 Na2 O18 . . . 97.19(7) y
O21 Na2 O18 . . . 105.73(8) y
O20 Na2 O19 . . . 151.20(10) y
O21 Na2 O19 . . . 82.45(8) y
O21 Na2 O20 . . . 69.72(6) y
Na2 O20 Li1 . . . 78.10(10) y
Na2 O21 Li1 . . . 81.3(2) y
O1 Na1 O14 . 65501 65501 82.08(6) n
O1 Na1 O17 . 65501 65501 86.07(6) n
O1 Na1 O18 . 65501 65501 72.77(7) n
O4 V4 O6 . 66502 66502 76.47(6) n
O4 V4 O7 . 66502 66502 99.44(8) n
O4 V4 O8 . 66502 66502 91.02(6) n
O4 V4 O9 . 66502 66502 76.64(6) n
O5 V1 O2 . 66502 66502 85.31(7) n
O5 V1 O8 . 66502 66502 82.89(6) n
O5 V1 O9 . 66502 66502 74.72(5) n
O5 V1 O1 . 66502 66502 100.94(8) n
O6 V2 O2 . 66502 66502 87.81(6) n
O6 V2 O4 . 66502 66502 76.86(5) n
O6 V2 O9 . 66502 66502 75.64(6) n
O6 V2 O3 . 66502 66502 99.58(8) n
O9 V3 O5 . 66502 66502 86.65(6) n
O9 V3 O6 . 66502 66502 81.26(6) n
O9 V3 O4 . 66502 66502 79.16(6) n
O9 V3 O9 . 66502 66502 77.91(5) n
O20 Li1 O21 . . . 88.9(2) y
O20 Li1 O22 . . . 99.3(2) y
O20 Li1 O23 . . . 106.8(2) y
O21 Li1 O22 . . . 100.4(2) y
O21 Li1 O23 . . . 129.9(3) y
O22 Li1 O23 . . . 122.3(2) y
H1 Na1 O14 . . . 98.0343 n
H2 Na1 O14 . . . 70.1226 n
H3 Na1 O14 . . . 106.3757 n
H4 Na1 O14 . . . 95.0635 n
H5 Na1 O14 . . . 168.2916 n
H6 Na1 O14 . . . 153.6421 n
H7 Na1 O14 . . . 83.7865 n
H8 Na1 O14 . . . 93.9078 n
Na1 O15 H1 . . . 111.2957 n
Na1 O15 H2 . . . 110.3156 n
Na1 O16 H3 . . . 115.8861 n
Na1 O16 H4 . . . 108.4384 n
Na1 O17 H5 . . . 114.6286 n
Na1 O17 H6 . . . 123.0022 n
Na1 O18 H7 . . . 105.2909 n
Na1 O18 H8 . . . 135.0490 n
Na2 O17 H5 . . . 121.5733 n
Na2 O17 H6 . . . 106.5964 n
Na2 O18 H7 . . . 115.6120 n
Na2 O18 H8 . . . 105.2500 n
Na2 O19 H9 . . . 119.8317 n
Na2 O19 H10 . . . 122.8901 n
Na2 O20 H11 . . . 114.8626 n
Na2 O20 H12 . . . 117.0487 n
Na2 O21 H13 . . . 113.1191 n
Na2 O21 H14 . . . 128.1757 n
H2 O15 H1 . . . 100.7962 n
H4 O16 H3 . . . 115.0966 n
H6 O17 H5 . . . 100.3715 n
H8 O18 H7 . . . 104.9681 n
H10 O19 H9 . . . 99.3271 n
H11 O20 Li1 . . . 125.2203 n
H12 O20 Li1 . . . 109.0020 n
H12 O20 H11 . . . 109.8595 n
H13 O21 Li1 . . . 121.3375 n
H14 O21 Li1 . . . 118.6901 n
H14 O21 H13 . . . 96.6409 n
H15 O22 Li1 . . . 133.3027 n
H16 O22 Li1 . . . 117.9284 n
H16 O22 H15 . . . 104.7859 n
H18 O23 Li1 . . . 109.6161 n
H17 O23 Li1 . . . 117.4397 n
H18 O23 H17 . . . 95.5975 n
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
V1 O1 . 1.5940(10) n
V1 O2 . 1.841(2) n
V1 O5 66502 2.014(2) n
V1 O8 . 1.907(2) n
V1 O9 . 2.3350(10) n
V1 O10 . 1.843(2) n
V2 O2 . 1.8630(10) n
V2 O3 . 1.603(2) n
V2 O4 . 1.9670(10) n
V2 O6 66502 2.0240(10) n
V2 O9 . 2.2360(10) n
V2 O11 . 1.799(2) n
V3 O4 . 1.956(2) n
V3 O5 . 1.7000(10) n
V3 O6 . 1.871(2) n
V3 O9 . 2.0990(10) n
V3 O9 66502 2.1370(10) n
V3 O12 . 1.685(2) n
V4 O4 66502 1.983(2) n
V4 O6 . 2.0260(10) n
V4 O7 . 1.616(2) n
V4 O8 . 1.7890(10) n
V4 O9 . 2.218(2) n
V4 O13 . 1.843(2) n
V5 O9 . 2.3090(10) n
V5 O10 . 1.8250(10) n
V5 O11 . 1.893(2) n
V5 O12 . 2.0560(10) n
V5 O13 . 1.856(2) n
V5 O14 . 1.603(2) n
Na1 O1 45501 2.495(2) y
Na1 O14 . 2.366(2) y
Na1 O15 . 2.349(2) y
Na1 O16 . 2.373(2) y
Na1 O17 . 2.391(2) y
Na1 O18 . 2.435(2) y
Na2 O17 . 2.320(2) y
Na2 O18 . 2.338(2) y
Na2 O19 . 2.304(2) y
Na2 O20 . 2.469(2) y
Na2 O21 . 2.365(2) y
Na2 O22 . 2.627(2) y
O1 Na1 65501 2.495(2) n
O4 V4 66502 1.983(2) n
O5 V1 66502 2.014(2) n
O6 V2 66502 2.0240(10) n
O9 V3 66502 2.1370(10) n
Li1 O20 . 1.989(5) y
Li1 O21 . 1.957(4) y
Li1 O22 . 1.943(5) y
Li1 O23 . 1.926(5) y
O15 H1 . 0.9099 ?
O15 H2 . 0.8562 ?
O16 H3 . 0.7264 ?
O16 H4 . 0.8431 ?
O17 H5 . 0.8800 ?
O17 H6 . 0.7824 ?
O18 H7 . 0.9001 ?
O18 H8 . 0.8967 ?
O19 H9 . 0.8755 ?
O19 H10 . 0.8534 ?
O20 H11 . 0.7711 ?
O20 H12 . 0.8796 ?
O21 H13 . 0.7312 ?
O21 H14 . 0.9135 ?
O22 H15 . 0.8778 ?
O22 H16 . 0.7915 ?
O23 H17 . 0.9425 ?
O23 H18 . 0.8316 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
O15 H1 O10 2_676 0.91 1.84 2.749(2) 170 y
O15 H2 O16 2_676 0.85 2.01 2.864(3) 172 y
O16 H3 O11 2_676 0.72 2.01 2.738(2) 173 y
O16 H4 O7 2_666 0.84 1.96 2.806(3) 175 y
O17 H5 O2 2_676 0.88 1.97 2.843(2) 169 y
O17 H6 O15 2_576 0.78 2.01 2.782(2) 165 y
O18 H8 O8 2_666 0.89 1.86 2.752(3) 168 y
O19 H9 O13 2_566 0.87 2.09 2.913(3) 154 y
O19 H10 O10 1_455 0.85 2.33 3.069(3) 144 y
O20 H11 O3 2_676 0.77 2.00 2.765(2) 168 y
O20 H12 O4 1_556 0.88 1.87 2.744(2) 172 y
O21 H13 O13 2_566 0.73 2.11 2.828(2) 165 y
O21 H14 O5 1_556 0.91 1.88 2.778(2) 166 y
O22 H15 O23 2_577 0.87 2.05 2.919(2) 166 y
O22 H16 O7 2_566 0.79 2.11 2.882(2) 164 y
O23 H17 O2 1_456 0.94 1.87 2.789(2) 163 y
O23 H18 O12 1_556 0.83 2.27 3.068(2) 159 y
