#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005227.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_2005227
_journal_name_full 'Acta Crystallographica Section C'
_journal_year       1996
_journal_volume 52
_journal_page_first             1872
_journal_page_last              1874
_publ_section_title
;
Triperchloratoytterbium(III) Monohydrate, Yb(ClO~4~)~3~.H~2~O
;
_chemical_formula_iupac        'Yb (Cl O4)3 , H2 O'
_chemical_formula_moiety        'Yb (Cl O4 )3, H2 O'
_chemical_formula_sum          'Cl3 H2 O13 Yb'
_chemical_formula_weight        489.4
_symmetry_cell_setting          triclinic
loop_
_symmetry_equiv_pos_as_xyz
        x,y,z
        '-x,-y,-z'
_symmetry_space_group_name_H-M  'P -1'
_cell_length_a                  9.473(4)
_cell_length_b                  7.802(3)
_cell_length_c                  6.755(2)
_cell_angle_alpha               78.14(2)
_cell_angle_beta                75.58(2)
_cell_angle_gamma               77.21(2)
_cell_volume                    465.5
_cell_formula_units_Z           2
_exptl_crystal_density_diffrn   3.49
_cell_measurement_temperature   298
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_u_iso_or_equiv
_atom_site_b_iso_or_equiv
Yb      .31022(4)
                .32348(5)
                        .36213(6)
                                .0138(3)
                                        1.09(2)
Cl1     .3064(2)
                -0.1003(3)
                        -0.2873(3)
                                .017(2) 1.3(1)
Cl2     .5211(2)
                .6796(3)
                        .2033(3)
                                .015(2) 1.2(1)
Cl3     -.0091(2)
                .3313(3)
                        -0.2283(3)
                                .018(2) 1.5(1)
O11     .231(1) .816(1) -0.382(1)
                                .038(7) 3.0(6)
O12     .3424(8)
                .062(1) -0.421(1)
                                .028(5) 2.2(5)
O13     .4464(8)
                .787(1) -0.263(1)
                                .029(6) 2.3(5)
O21     .4651(9)
                .8632(9)
                        .186(1) .029(6) 2.3(5)
O14     .2275(9)
                .940(1) -.093(1)
                                .040(7) 3.1(5)
O22     .4002(8)
                .5853(9)
                        .233(1) .027(6) 2.1(5)
O23     -0.3708(8)
                .637(1) .024(1) .034(6) 2.7(5)
O24     -0.4072(8)
                .6138(9)
                        .378(1) .024(6) 1.9(4)
O31     .017(1) .280(1) -.025(1)
                                .041(7) 3.2(6)
O32     -.046(1)
                .197(1) -0.305(1)
                                .044(8) 3.4(6)
O33     -0.1277(8)
                .483(1) -0.223(1)
                                .036(7) 2.8(5)
O34     .1188(8)
                .394(1) -0.363(1)
                                .037(7) 2.9(5)
OA      -0.1892(9)
                .856(1) -0.270(1)
                                .0316(6)
                                        2.5(5)
_cod_database_code 2005227