data_2012920
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2002
_journal_volume  58
_journal_page_first  i121
_journal_page_last  i123
_publ_section_title
;
A uranyl sulfate cluster in Na~10~[(UO~2~)(SO~4~)~4~](SO~4~)~2~.3H~2~O
;
loop_
_publ_author_name
  'Burns, Peter C.'
  'Hayden, Leslie A.'
_chemical_formula_moiety  '10Na + , O18 S4 U 6- , 2S O4 2- , 3H2 O'
_chemical_formula_sum  'H6 Na10 O29 S6 U'
_chemical_formula_iupac  'Na10 [(U O2) (S O4)4] (S O4)2 , 3H2O'
_chemical_formula_weight  1130.34
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'C c'
_symmetry_space_group_name_Hall  '-C 2yc'
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'
_cell_length_a  9.3072(5)
_cell_length_b  28.7064(14)
_cell_length_c  9.6152(3)
_cell_angle_alpha  90
_cell_angle_beta  93.4010(10)
_cell_angle_gamma  90
_cell_volume  2564.4(2)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  2.928
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_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  U1 0.117953(17) 0.172515(3) 0.696301(17) 0.01439(2) Uani d . 1 . . U
  S1 -0.11623(9) 0.15912(3) 0.45796(9) 0.01543(14) Uani d . 1 . . S
  S2 0.38717(9) 0.16209(3) 0.96581(9) 0.01610(14) Uani d . 1 . . S
  S3 -0.03532(8) 0.16488(3) 1.04377(8) 0.01603(12) Uani d . 1 . . S
  S4 0.21865(9) 0.03151(3) 0.29219(8) 0.01878(13) Uani d . 1 . . S
  S5 0.78445(8) 0.03411(3) -0.13011(8) 0.01805(12) Uani d . 1 . . S
  S6 0.46938(8) 0.16342(3) 0.54651(8) 0.01602(12) Uani d . 1 . . S
  Na1 0.1251(4) 0.32337(4) 0.7061(4) 0.0241(4) Uani d . 1 . . Na
  Na2 0.4833(2) 0.24722(7) 0.78712(19) 0.0359(4) Uani d . 1 . . Na
  Na3 -0.2622(2) 0.24994(7) 0.5766(2) 0.0316(4) Uani d . 1 . . Na
  Na4 0.22358(19) 0.13916(6) 0.28164(18) 0.0317(4) Uani d . 1 . . Na
  Na5 0.11915(19) 0.06453(6) -0.04699(17) 0.0318(3) Uani d . 1 . . Na
  Na6 -0.0031(2) 0.04078(6) 0.57542(17) 0.0321(3) Uani d . 1 . . Na
  Na7 -0.4227(2) 0.06777(6) 0.40864(17) 0.0366(4) Uani d . 1 . . Na
  Na8 -0.11440(18) 0.06521(6) 0.21720(16) 0.0321(3) Uani d . 1 . . Na
  Na9 0.42990(18) 0.06284(6) 0.76510(17) 0.0318(3) Uani d . 1 . . Na
  Na10 -0.28505(18) 0.13828(7) 0.79182(18) 0.0332(3) Uani d . 1 . . Na
  O1 0.0897(3) 0.23354(9) 0.6812(3) 0.0277(6) Uani d . 1 . . O
  O2 0.1440(3) 0.11117(8) 0.7059(3) 0.0256(6) Uani d . 1 . . O
  O3 0.3210(3) 0.17916(12) 0.5761(4) 0.0438(8) Uani d . 1 . . O
  O4 -0.0161(4) 0.16558(12) 0.8905(3) 0.0406(8) Uani d . 1 . . O
  O5 0.2865(3) 0.19232(9) 0.8734(3) 0.0266(5) Uani d . 1 . . O
  O6 -0.1311(2) 0.16340(9) 0.6120(2) 0.0212(4) Uani d . 1 . . O
  O7 0.0430(2) 0.16202(9) 0.4464(2) 0.0225(4) Uani d . 1 . . O
  O8 -0.1746(3) 0.11500(10) 0.4081(3) 0.0318(6) Uani d . 1 . . O
  O9 -0.1861(3) 0.19877(9) 0.3862(3) 0.0259(5) Uani d . 1 . . O
  O10 0.5324(3) 0.17253(10) 0.9270(3) 0.0317(6) Uani d . 1 . . O
  O11 0.3492(3) 0.11331(9) 0.9449(3) 0.0284(6) Uani d . 1 . . O
  O12 0.3688(3) 0.17704(9) 0.1093(3) 0.0260(5) Uani d . 1 . . O
  O13 -0.1880(4) 0.16677(17) 1.0577(5) 0.0627(13) Uani d . 1 . . O
  O14 0.0401(4) 0.20344(12) 1.1102(4) 0.0487(9) Uani d . 1 . . O
  O15 0.0234(5) 0.12141(12) 1.0994(4) 0.0551(11) Uani d . 1 . . O
  O16 0.1067(3) 0.05279(12) 0.3716(3) 0.0376(7) Uani d . 1 . . O
  O17 0.1563(4) 0.01848(11) 0.1546(3) 0.0434(8) Uani d . 1 . . O
  O18 0.3357(3) 0.06549(10) 0.2789(3) 0.0360(6) Uani d . 1 . . O
  O19 0.2770(3) -0.01061(9) 0.3630(3) 0.0282(5) Uani d . 1 . . O
  O20 0.8779(4) 0.05647(11) -0.2272(3) 0.0459(8) Uani d . 1 . . O
  O21 0.8645(4) 0.02722(13) 0.0040(3) 0.0461(8) Uani d . 1 . . O
  O22 0.7325(3) -0.01091(9) -0.1844(3) 0.0348(6) Uani d . 1 . . O
  O23 0.6603(3) 0.06492(10) -0.1104(3) 0.0325(6) Uani d . 1 . . O
  O24 0.5685(3) 0.19579(10) 0.6154(3) 0.0327(6) Uani d . 1 . . O
  O25 0.4786(5) 0.16355(14) 0.3965(3) 0.0489(9) Uani d . 1 . . O
  O26 0.4939(4) 0.11701(11) 0.6039(4) 0.0438(8) Uani d . 1 . . O
  O27 0.0926(3) 0.40772(9) 0.6603(3) 0.0282(5) Uani d . 1 . . O
  O28 -0.2477(4) 0.24963(11) 0.8406(4) 0.0447(8) Uani d . 1 . . O
  O29 0.4996(4) -0.01434(10) 0.0809(3) 0.0366(6) Uani d . 1 . . O
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  U1 0.01240(3) 0.01648(4) 0.01410(3) -0.00035(5) -0.00071(2) 0.00157(5)
  S1 0.0134(3) 0.0187(3) 0.0140(3) 0.0002(3) -0.0006(2) -0.0021(3)
  S2 0.0144(3) 0.0180(3) 0.0155(3) 0.0007(3) -0.0023(3) -0.0006(3)
  S3 0.0149(3) 0.0187(3) 0.0147(3) -0.0014(2) 0.0030(2) -0.0012(2)
  S4 0.0214(3) 0.0161(3) 0.0192(3) -0.0001(3) 0.0035(2) 0.0013(2)
  S5 0.0199(3) 0.0155(3) 0.0191(3) 0.0000(2) 0.0034(2) -0.0011(2)
  S6 0.0147(3) 0.0184(3) 0.0152(3) -0.0020(2) 0.0024(2) 0.0001(2)
  Na1 0.0189(8) 0.0289(6) 0.0246(10) 0.0034(7) 0.0020(6) 0.0014(7)
  Na2 0.0443(10) 0.0276(9) 0.0381(9) 0.0029(8) 0.0221(7) 0.0028(7)
  Na3 0.0316(8) 0.0215(8) 0.0435(9) -0.0035(6) 0.0166(7) -0.0025(7)
  Na4 0.0304(8) 0.0322(9) 0.0329(8) 0.0042(7) 0.0047(6) -0.0003(7)
  Na5 0.0373(8) 0.0286(8) 0.0307(7) 0.0025(6) 0.0102(6) 0.0006(6)
  Na6 0.0404(8) 0.0294(8) 0.0275(7) -0.0010(7) 0.0105(6) 0.0000(6)
  Na7 0.0439(9) 0.0339(9) 0.0328(8) 0.0072(7) 0.0106(7) -0.0009(7)
  Na8 0.0416(9) 0.0309(8) 0.0244(7) -0.0062(6) 0.0071(6) -0.0026(6)
  Na9 0.0379(8) 0.0279(7) 0.0305(7) -0.0092(6) 0.0094(6) -0.0014(6)
  Na10 0.0253(7) 0.0400(10) 0.0347(8) 0.0013(7) 0.0055(6) 0.0093(8)
  O1 0.0289(17) 0.0199(10) 0.0338(15) 0.0041(9) -0.0027(12) 0.0025(10)
  O2 0.0303(17) 0.0186(9) 0.0268(12) 0.0011(9) -0.0080(12) 0.0012(10)
  O3 0.0129(11) 0.061(2) 0.058(2) 0.0067(12) 0.0109(12) 0.0228(16)
  O4 0.0430(18) 0.065(2) 0.0141(11) -0.0114(15) 0.0065(11) 0.0007(11)
  O5 0.0279(12) 0.0216(11) 0.0282(11) 0.0026(9) -0.0152(9) 0.0013(9)
  O6 0.0148(9) 0.0350(12) 0.0139(9) -0.0013(8) 0.0018(7) 0.0000(8)
  O7 0.0141(9) 0.0350(12) 0.0186(10) 0.0011(8) 0.0030(8) -0.0044(9)
  O8 0.0314(14) 0.0268(13) 0.0374(15) -0.0090(11) 0.0047(12) -0.0150(11)
  O9 0.0248(11) 0.0296(12) 0.0230(11) 0.0047(10) -0.0019(9) 0.0060(9)
  O10 0.0182(11) 0.0410(16) 0.0365(15) -0.0026(9) 0.0061(10) 0.0041(11)
  O11 0.0361(15) 0.0156(11) 0.0327(14) 0.0006(10) -0.0050(11) -0.0025(9)
  O12 0.0322(13) 0.0285(12) 0.0173(10) 0.0023(9) 0.0015(9) -0.0030(8)
  O13 0.0170(14) 0.124(4) 0.048(2) 0.0050(16) 0.0079(14) -0.010(2)
  O14 0.062(2) 0.0415(18) 0.0446(17) -0.0315(16) 0.0200(16) -0.0234(14)
  O15 0.095(3) 0.0233(16) 0.047(2) 0.0139(18) 0.0009(19) 0.0100(14)
  O16 0.0369(15) 0.0412(17) 0.0364(15) 0.0176(13) 0.0157(12) 0.0060(12)
  O17 0.067(2) 0.0360(15) 0.0256(12) -0.0082(15) -0.0131(13) -0.0001(11)
  O18 0.0328(14) 0.0247(13) 0.0505(17) -0.0100(11) 0.0026(12) 0.0077(12)
  O19 0.0340(13) 0.0185(11) 0.0327(12) 0.0060(10) 0.0064(10) 0.0066(10)
  O20 0.061(2) 0.0335(15) 0.0463(17) -0.0173(14) 0.0322(16) -0.0043(13)
  O21 0.055(2) 0.051(2) 0.0305(14) 0.0244(16) -0.0142(13) -0.0086(13)
  O22 0.0422(16) 0.0174(12) 0.0462(16) -0.0088(11) 0.0136(13) -0.0100(11)
  O23 0.0315(13) 0.0301(14) 0.0357(14) 0.0117(11) 0.0011(11) -0.0060(11)
  O24 0.0282(13) 0.0338(15) 0.0361(14) -0.0134(11) 0.0032(11) -0.0101(11)
  O25 0.054(2) 0.077(3) 0.0164(12) -0.0252(19) 0.0072(13) -0.0010(13)
  O26 0.061(2) 0.0192(14) 0.0521(19) 0.0046(14) 0.0127(16) 0.0080(13)
  O27 0.0293(13) 0.0275(12) 0.0273(12) -0.0021(10) -0.0021(9) -0.0035(9)
  O28 0.0523(18) 0.0341(16) 0.0447(17) 0.0046(13) -0.0214(14) -0.0079(12)
  O29 0.0484(17) 0.0231(14) 0.0391(15) -0.0034(13) 0.0099(12) 0.0009(12)
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
  U1 O1 . 1.776(2) yes
  U1 O2 . 1.779(2) yes
  U1 O3 . 2.281(3) yes
  U1 O4 . 2.315(3) yes
  U1 O5 . 2.317(2) yes
  U1 O6 . 2.424(2) yes
  U1 O7 . 2.480(2) yes
  U1 S1 . 3.0915(9) no
  S1 O8 . 1.448(3) yes
  S1 O9 . 1.463(3) yes
  S1 O7 . 1.495(2) yes
  S1 O6 . 1.501(2) yes
  S2 O10 . 1.455(3) yes
  S2 O11 . 1.455(3) yes
  S2 O12 1_556 1.464(3) yes
  S2 O5 . 1.524(3) yes
  S3 O13 . 1.436(4) yes
  S3 O14 . 1.440(3) yes
  S3 O15 . 1.451(3) yes
  S3 O4 . 1.495(3) yes
  S4 O16 . 1.461(3) yes
  S4 O17 . 1.462(3) yes
  S4 O18 . 1.473(3) yes
  S4 O19 . 1.475(3) yes
  S5 O20 . 1.462(3) yes
  S5 O21 . 1.464(3) yes
  S5 O22 . 1.465(3) yes
  S5 O23 . 1.476(3) yes
  S6 O24 . 1.443(3) yes
  S6 O25 . 1.450(3) yes
  S6 O26 . 1.455(3) yes
  S6 O3 . 1.496(3) yes
  Na1 O13 4_554 2.331(5) yes
  Na1 O25 4_455 2.377(5) yes
  Na1 O9 4 2.476(4) yes
  Na1 O27 . 2.477(3) yes
  Na1 O12 4_455 2.508(5) yes
  Na1 O1 . 2.609(3) yes
  Na1 O10 4_454 2.772(5) yes
  Na2 O14 4_554 2.299(4) yes
  Na2 O24 . 2.385(3) yes
  Na2 O9 4 2.444(3) yes
  Na2 O28 1_655 2.526(4) yes
  Na2 O10 . 2.558(3) yes
  Na2 O5 . 2.590(3) yes
  Na3 O24 1_455 2.260(3) yes
  Na3 O14 4_454 2.313(4) yes
  Na3 O12 4_455 2.436(3) yes
  Na3 O9 . 2.483(3) yes
  Na3 O28 . 2.534(4) yes
  Na3 O5 4_454 2.622(3) yes
  Na3 O6 . 2.780(3) yes
  Na4 O18 . 2.359(3) yes
  Na4 O12 . 2.454(3) yes
  Na4 O7 . 2.466(3) yes
  Na4 O15 1_554 2.533(5) yes
  Na4 O25 . 2.652(4) yes
  Na4 O16 . 2.862(4) yes
  Na4 O14 1_554 2.950(5) yes
  Na5 O19 2_554 2.336(3) yes
  Na5 O17 . 2.354(3) yes
  Na5 O15 1_554 2.364(4) yes
  Na5 O11 1_554 2.563(3) yes
  Na5 O21 1_455 2.672(5) yes
  Na5 O2 1_554 2.749(4) yes
  Na5 O20 1_455 2.763(4) yes
  Na6 O16 . 2.290(3) yes
  Na6 O20 1_456 2.298(3) yes
  Na6 O17 2 2.353(4) yes
  Na6 O21 2_455 2.387(4) yes
  Na6 O2 . 2.707(3) yes
  Na7 O22 2_455 2.388(3) yes
  Na7 O29 2_455 2.400(4) yes
  Na7 O27 4_454 2.502(3) yes
  Na7 O18 1_455 2.507(3) yes
  Na7 O26 1_455 2.510(4) yes
  Na7 O8 . 2.678(3) yes
  Na7 O25 1_455 2.899(5) yes
  Na8 O21 1_455 2.320(3) yes
  Na8 O22 2_455 2.349(3) yes
  Na8 O15 1_554 2.388(5) yes
  Na8 O8 . 2.418(3) yes
  Na8 O16 . 2.491(4) yes
  Na8 O27 4_454 2.858(3) yes
  Na8 O17 . 2.948(4) yes
  Na9 O26 . 2.299(4) yes
  Na9 O19 2 2.306(3) yes
  Na9 O29 2 2.373(3) yes
  Na9 O23 1_556 2.394(3) yes
  Na9 O11 . 2.410(3) yes
  Na10 O23 1_456 2.374(3) yes
  Na10 O10 1_455 2.409(3) yes
  Na10 O6 . 2.420(3) yes
  Na10 O24 1_455 2.680(4) yes
  Na10 O26 1_455 2.726(4) yes
  Na10 O4 . 2.738(4) yes
  Na10 O13 . 2.783(5) yes
  Na10 O20 1_456 2.807(4) yes