#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2200124.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_2200124
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2001
_journal_volume  57
_journal_page_first  i10
_journal_page_last  i11
_publ_section_title
;
Tetraaquatrinitratoeuropium(III) dihydrate
;
loop_
_publ_author_name
  'Stumpf, Thorsten'
  'Bolte, Michael'
_chemical_formula_sum  'Eu H12 N3 O15'
_chemical_formula_iupac  '[Eu (N O3)3 (H2 O)4], 2H2 O'
_chemical_formula_weight  446.09
_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  6.7050(10)
_cell_length_b  9.1400(10)
_cell_length_c  11.6470(10)
_cell_angle_alpha  69.710(10)
_cell_angle_beta  88.940(10)
_cell_angle_gamma  69.290(10)
_cell_volume  621.79(13)
_cell_formula_units_Z  2
_cell_measurement_temperature  173(2)
_exptl_crystal_density_diffrn  2.383
_diffrn_ambient_temperature  173(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
  Eu1  .196332(13)  .405156(11)  .274408(8)  .01200(5) Uani d . 1 . . Eu
  O1  .3018(2)  .4421(2)  .07027(14)  .0193(3) Uani d D 1 . . O
  H1A  .403(4)  .365(3)  .058(3)  .037(9) Uiso d D 1 . . H
  H1B  .233(4)  .506(3)  .0013(15)  .033(8) Uiso d D 1 . . H
  O2  .5736(2)  .2364(2)  .32478(17)  .0234(3) Uani d D 1 . . O
  H2A  .664(6)  .281(6)  .309(4)  .082(15) Uiso d D 1 . . H
  H2B  .631(5)  .1361(17)  .371(2)  .031(8) Uiso d D 1 . . H
  O3  .3683(3)  .6031(2)  .22168(14)  .0237(3) Uani d D 1 . . O
  H3A  .364(6)  .671(4)  .1514(16)  .052(11) Uiso d D 1 . . H
  H3B  .384(5)  .657(3)  .263(2)  .031(8) Uiso d D 1 . . H
  O4  .2798(3)  .4476(2)  .45732(14)  .0197(3) Uani d D 1 . . O
  H4A  .361(4)  .370(3)  .518(2)  .034(8) Uiso d D 1 . . H
  H4B  .198(4)  .514(3)  .487(3)  .036(8) Uiso d D 1 . . H
  O5  .6242(3)  .2030(2)  .01593(16)  .0227(3) Uani d D 1 . . O
  H5A  .743(3)  .159(5)  .059(3)  .048(11) Uiso d D 1 . . H
  H5B  .582(7)  .127(4)  .020(4)  .071(14) Uiso d D 1 . . H
  O6  .4091(3)  .7789(2)  .36185(15)  .0206(3) Uani d D 1 . . O
  H6A  .294(3)  .825(4)  .387(3)  .036(9) Uiso d D 1 . . H
  H6B  .435(5)  .860(3)  .313(3)  .043(10) Uiso d D 1 . . H
  N1  .0829(3)  .1757(2)  .17886(17)  .0200(3) Uani d . 1 . . N
  O11  -.0578(2)  .3183(2)  .17037(15)  .0236(3) Uani d . 1 . . O
  O12  .2653(3)  .1373(2)  .23306(16)  .0271(3) Uani d . 1 . . O
  O13  .0423(3)  .0819(2)  .13757(17)  .0285(4) Uani d . 1 . . O
  N2  .0793(3)  .1669(2)  .50115(17)  .0186(3) Uani d . 1 . . N
  O21  .2703(3)  .1216(2)  .47951(18)  .0292(4) Uani d . 1 . . O
  O22  -.0522(2)  .3068(2)  .42717(14)  .0218(3) Uani d . 1 . . O
  O23  .0183(3)  .0802(2)  .59053(16)  .0284(4) Uani d . 1 . . O
  N3  -.1772(3)  .7254(2)  .18588(17)  .0182(3) Uani d . 1 . . N
  O31  -.1021(3)  .6489(2)  .29835(14)  .0255(3) Uani d . 1 . . O
  O32  -.0834(3)  .6566(2)  .11240(15)  .0262(3) Uani d . 1 . . O
  O33  -.3340(3)  .8580(2)  .15067(16)  .0270(3) 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
  Eu1  .01176(6)  .01208(6)  .01045(6)  -.00380(4)  .00094(3)  -.00270(4)
  O1  .0219(7)  .0204(7)  .0131(7)  -.0051(6)  .0030(6)  -.0062(6)
  O2  .0140(7)  .0174(8)  .0323(9)  -.0033(6)  -.0021(6)  -.0040(7)
  O3  .0396(9)  .0263(8)  .0146(7)  -.0228(7)  .0062(6)  -.0077(7)
  O4  .0229(7)  .0196(8)  .0118(7)  -.0033(6)  -.0015(5)  -.0047(6)
  O5  .0278(8)  .0189(8)  .0211(8)  -.0106(6)  .0033(6)  -.0050(6)
  O6  .0234(7)  .0175(7)  .0189(7)  -.0069(6)  .0005(6)  -.0046(6)
  N1  .0259(9)  .0177(8)  .0155(8)  -.0103(7)  -.0010(7)  -.0025(7)
  O11  .0197(7)  .0240(8)  .0271(8)  -.0065(6)  -.0006(6)  -.0109(7)
  O12  .0245(8)  .0170(7)  .0348(9)  -.0060(6)  -.0097(7)  -.0049(7)
  O13  .0377(9)  .0229(8)  .0285(9)  -.0147(7)  -.0033(7)  -.0097(7)
  N2  .0204(8)  .0160(8)  .0194(9)  -.0061(7)  .0048(7)  -.0070(7)
  O21  .0179(7)  .0238(8)  .0419(10)  -.0044(6)  .0093(7)  -.0108(8)
  O22  .0190(7)  .0192(7)  .0197(7)  -.0052(6)  .0010(6)  -.0004(6)
  O23  .0351(9)  .0210(8)  .0219(8)  -.0098(7)  .0110(7)  -.0002(7)
  N3  .0158(7)  .0130(8)  .0221(9)  -.0048(6)  .0023(6)  -.0026(7)
  O31  .0271(8)  .0224(8)  .0148(7)  .0006(6)  .0028(6)  -.0024(6)
  O32  .0275(8)  .0247(8)  .0181(7)  .0004(6)  -.0015(6)  -.0082(6)
  O33  .0212(7)  .0144(7)  .0321(9)  .0003(6)  .0018(6)  .0000(7)
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
  Eu1 O3 . 2.3787(16) y
  Eu1 O4 . 2.4029(15) y
  Eu1 O2 . 2.4063(16) y
  Eu1 O1 . 2.4118(15) y
  Eu1 O31 . 2.5105(16) y
  Eu1 O32 . 2.5364(17) y
  Eu1 O12 . 2.5396(18) y
  Eu1 O22 . 2.5671(16) y
  Eu1 O11 . 2.5891(16) y
  Eu1 O21 . 2.7407(19) y
  Eu1 N3 . 2.9531(18) ?
  Eu1 N1 . 2.9988(18) ?
  O1 H1A .  .837(10) ?
  O1 H1B .  .835(10) ?
  O2 H2A .  .833(10) ?
  O2 H2B .  .834(10) ?
  O3 H3A .  .831(10) ?
  O3 H3B .  .829(10) ?
  O4 H4A .  .837(10) ?
  O4 H4B .  .836(10) ?
  O5 H5A .  .837(10) ?
  O5 H5B .  .827(10) ?
  O6 H6A .  .842(10) ?
  O6 H6B .  .835(10) ?
  N1 O13 . 1.223(2) ?
  N1 O12 . 1.260(2) ?
  N1 O11 . 1.282(2) ?
  N2 O23 . 1.233(2) ?
  N2 O21 . 1.249(2) ?
  N2 O22 . 1.274(2) ?
  N3 O33 . 1.229(2) ?
  N3 O32 . 1.264(2) ?
  N3 O31 . 1.264(2) ?