#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2013223.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_2013223
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2003
_journal_volume  59
_journal_page_first  i7
_journal_page_last  i8
_publ_section_title
;
Uranyl dinitrate trihydrate, UO~2~(NO~3~)~2~(H~2~O)~3~
;
loop_
_publ_author_name
  'Hughes, Karrie-Ann'
  'Burns, Peter C.'
_chemical_name_common  'Uranyl nitrate trihydrate'
_chemical_formula_moiety  'U O2 (N O3)2 (H2 O)3'
_chemical_formula_sum  'H6 N2 O11 U'
_chemical_formula_iupac  'U O2 (N O3)2 (H2 O)3'
_chemical_formula_weight  448.08
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, -z'
_cell_length_a  7.0359(15)
_cell_length_b  7.1730(15)
_cell_length_c  10.084(2)
_cell_angle_alpha  81.697(4)
_cell_angle_beta  82.041(4)
_cell_angle_gamma  63.642(4)
_cell_volume  449.64(16)
_cell_formula_units_Z  2
_cell_measurement_temperature  298(2)
_exptl_crystal_density_diffrn  3.31
_diffrn_ambient_temperature  294(2)
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 0.5 0.5 0.5 0.02672(13) Uani d S 1 . . U
  U2 0.5 0.0 0.0 0.02345(13) Uani d S 1 . . U
  N1 0.7299(13) 0.7396(12) 0.5443(8) 0.0317(17) Uani d . 1 . . N
  N2 0.1821(12) 0.3840(11) 0.1100(7) 0.0290(16) Uani d . 1 . . N
  O1 0.6923(11) 0.2816(10) 0.5820(7) 0.0379(16) Uani d . 1 . . O
  O2 0.2872(11) 0.5974(10) 0.7145(6) 0.0381(16) Uani d . 1 . . O
  O3 0.7583(12) 0.6536(11) 0.4372(7) 0.0425(18) Uani d . 1 . . O
  O4 0.5901(12) 0.7177(12) 0.6281(7) 0.0461(19) Uani d . 1 . . O
  O5 0.3921(10) 0.0888(9) -0.1553(6) 0.0323(15) Uani d . 1 . . O
  O6 0.2587(11) -0.1640(11) 0.0681(7) 0.0427(18) Uani d . 1 . . O
  O7 0.1515(10) 0.2201(10) 0.1133(7) 0.0355(15) Uani d . 1 . . O
  O8 0.3585(10) 0.3756(9) 0.0545(6) 0.0346(15) Uani d . 1 . . O
  O9 0.8370(13) 0.8224(12) 0.5642(8) 0.053(2) Uani d . 1 . . O
  O10 0.0494(12) 0.5377(10) 0.1591(8) 0.0455(19) Uani d . 1 . . O
  O11 -0.0687(10) -0.0235(10) 0.2683(7) 0.0347(15) 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 0.0220(3) 0.0269(3) 0.0279(3) -0.0078(2) 0.0013(2) -0.0049(2)
  U2 0.0212(3) 0.0219(2) 0.0275(3) -0.0092(2) 0.0034(2) -0.0075(2)
  N1 0.023(4) 0.023(4) 0.020(4) -0.011(3) 0.002(3) -0.005(3)
  N2 0.021(4) 0.016(3) 0.021(4) -0.007(3) 0.007(3) -0.006(3)
  O1 0.027(4) 0.030(3) 0.048(4) -0.006(3) -0.008(3) 0.001(3)
  O2 0.039(4) 0.037(4) 0.034(4) -0.014(3) 0.011(3) -0.007(3)
  O3 0.039(4) 0.045(4) 0.045(4) -0.019(4) 0.005(4) -0.008(4)
  O4 0.041(5) 0.057(5) 0.046(5) -0.026(4) 0.014(4) -0.016(4)
  O5 0.037(4) 0.028(3) 0.027(3) -0.010(3) -0.006(3) -0.006(3)
  O6 0.041(4) 0.043(4) 0.052(5) -0.027(4) 0.015(4) -0.020(4)
  O7 0.029(4) 0.037(4) 0.043(4) -0.018(3) 0.008(3) -0.012(3)
  O8 0.031(4) 0.029(3) 0.047(4) -0.015(3) 0.007(3) -0.012(3)
  O9 0.056(6) 0.051(5) 0.066(6) -0.031(5) -0.001(4) -0.015(4)
  O10 0.042(4) 0.032(4) 0.054(5) -0.015(3) 0.019(4) -0.021(3)
  O11 0.030(4) 0.037(4) 0.035(4) -0.013(3) 0.002(3) -0.009(3)
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 . 1.738(6) y
  U1 O2 . 2.453(6) y
  U1 O3 . 2.485(7) y
  U1 O4 . 2.490(7) y
  U2 O5 . 1.745(6) y
  U2 O6 . 2.440(7) y
  U2 O7 . 2.473(7) y
  U2 O8 . 2.539(6) y
  N1 O9 . 1.198(10) ?
  N1 O4 . 1.255(10) ?
  N1 O3 . 1.269(10) ?
  N2 O10 . 1.203(9) ?
  N2 O8 . 1.269(9) ?
  N2 O7 . 1.281(9) ?
_cod_database_code 2013223