#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2007207.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_2007207
_journal_name_full  'Acta Crystallographica'
_journal_year  1998
_journal_volume  C54
_journal_page_first  591
_journal_page_last  594
_publ_section_title
;
Triaquatris(\m-oxydiacetato)europium(III)lanthanum(III) Pentahydrate
;
loop_
_publ_author_name
  "Baggio, Ricardo"
  "Garland, Maria Teresa"
  "Perec, Mireille"
_chemical_formula_moiety  'La 3+, Eu 3+, 3(C4 H4 O5 2-), 8(H2 O)'
_chemical_formula_sum  'C12 H28 Eu La O23'
_chemical_formula_iupac  '[EuLa(C4 H4 O5)3(H2 O)3] , 5H2 O'
_chemical_formula_weight  831.2
_symmetry_cell_setting  Hexagonal
_symmetry_space_group_name_H-M  'P -6 2 c'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-y, x-y, z'
  '-x+y, -x, z'
  'x, y, -z+1/2'
  '-y, x-y, -z+1/2'
  '-x+y, -x, -z+1/2'
  'y, x, -z'
  'x-y, -y, -z'
  '-x, -x+y, -z'
  'y, x, z+1/2'
  'x-y, -y, z+1/2'
  '-x, -x+y, z+1/2'
_cell_length_a  9.2950(10)
_cell_length_b  9.2950(10)
_cell_length_c  17.689(3)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  120.00
_cell_volume  1323.5(3)
_cell_formula_units_Z  2
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  2.09
_diffrn_ambient_temperature  293(2)
_refine_ls_R_factor_obs  .023
_refine_ls_wR_factor_obs  .0632
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
  La  .6667  .3333  .2500  .0117(2) Uani d S 1 . La
  Eu  .0000  .0000  .0000  .0121(2) Uani d S 1 . Eu
  C1  .3444(7)  .1842(16)  .1050(3)  .0242(15) Uani d . 1 . C
  C2  .3972(9)  .0916(10)  .0531(4)  .042(2) Uani d . 1 . C
  H22A  .4270(9)  .0254(10)  .0828(4)  .080 Uiso d R 1 . H
  H22B  .4910(9)  .1673(10)  .0244(4)  .080 Uiso d R 1 . H
  O1  .4416(6)  .2683(6)  .1557(2)  .0351(12) Uani d . 1 . O
  O2  .2062(5)  .1727(6)  .0932(3)  .0293(10) Uani d . 1 . O
  O3  .2677(7)  .0000  .0000  .027(2) Uani d S 1 . O
  O1W  .4485(9)  .0084(9)  .2500  .047(2) Uani d S 1 . O
  O2WA  .091(5)  -.099(6)  .2500  .156(8) Uani d SP  .50 . O
  O2WB  .129(4)  -.163(5)  .2500  .117(7) Uani d SP  .50 . O
  O3W  .2210(10)
  -.2820(10)
  .1360(10)
  .109(6) Uani d P  .33 . 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
  La  .0140(2)  .0140(2)  .0070(3)  .00701(11)  .000  .000
  Eu  .0132(2)  .0132(2)  .0098(3)  .00658(10)  .000  .000
  C1  .024(2)  .024(5)  .021(2)  .010(4)  -.005(2)  .000(4)
  C2  .033(4)  .060(5)  .041(4)  .029(4)  -.025(4)  -.035(4)
  O1  .038(3)  .039(3)  .030(2)  .020(2)  -.024(2)  -.018(2)
  O2  .025(2)  .038(2)  .028(2)  .017(2)  -.013(2)  -.014(2)
  O3  .021(3)  .034(4)  .029(4)  .017(2)  -.0077(14)  -.015(3)
  O1W  .030(4)  .035(4)  .055(5)  .000(3)  .000  .000
  O2WA  .10(2)  .24(4)  .066(8)  .042(13)  .000  .000
  O2WB  .048(11)  .15(3)  .126(12)  .027(11)  .000  .000
  O3W  .039(7)  .100(10)
  .168(12)  .017(8)  -.008(8)  .089(9)
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
  La O1 2_655 2.502(4) n
  La O1 5_655 2.502(4) n
  La O1 6_665 2.502(4) n
  La O1 3_665 2.502(4) n
  La O1 . 2.502(4) y
  La O1 4 2.502(4) n
  La O1W 2_655 2.667(7) n
  La O1W . 2.667(7) y
  La O1W 3_665 2.667(7) n
  Eu O2 . 2.427(4) y
  Eu O2 9 2.427(4) n
  Eu O2 8 2.427(4) n
  Eu O2 7 2.427(4) n
  Eu O2 2 2.427(4) n
  Eu O2 3 2.427(4) n
  Eu O3 3 2.488(6) n
  Eu O3 2 2.488(6) n
  Eu O3 . 2.488(6) y
  C1 O1 . 1.235(8) y
  C1 O2 . 1.252(9) y
  C1 C2 . 1.499(13) y
  C2 O3 . 1.426(7) y
  O3 C2 8 1.426(7) y
  O2WA O2WB .  .83(8) n