#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/52/2005256.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_2005256
_journal_name_full 'Acta Crystallographica Section C'
_journal_year       1996
_journal_volume 52
_journal_page_first             1859
_journal_page_last              1862
_publ_section_title
;
Tetracaesium Ytterbium Heptachloride with Partly Disordered
Chloride Ions
;
_chemical_formula_iupac        'Cs4 Yb Cl7'
_chemical_formula_sum          'Cl7 Cs4 Yb'
_chemical_formula_weight        952.83
_symmetry_cell_setting          trigonal
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_[local]_cod_cif_authors_sg_H-M  'R -3 m'
loop_
_symmetry_equiv_pos_as_xyz
        'x, y, z'
        '-y, x-y, z'
        '-x+y, -x, z'
        '-y, -x, z'
        '-x+y, y, z'
        'x, x-y, z'
        'x+2/3, y+1/3, z+1/3'
        '-y+2/3, x-y+1/3, z+1/3'
        '-x+y+2/3, -x+1/3, z+1/3'
        '-y+2/3, -x+1/3, z+1/3'
        '-x+y+2/3, y+1/3, z+1/3'
        'x+2/3, x-y+1/3, z+1/3'
        'x+1/3, y+2/3, z+2/3'
        '-y+1/3, x-y+2/3, z+2/3'
        '-x+y+1/3, -x+2/3, z+2/3'
        '-y+1/3, -x+2/3, z+2/3'
        '-x+y+1/3, y+2/3, z+2/3'
        'x+1/3, x-y+2/3, z+2/3'
        '-x, -y, -z'
        'y, -x+y, -z'
        'x-y, x, -z'
        'y, x, -z'
        'x-y, -y, -z'
        '-x, -x+y, -z'
        '-x+2/3, -y+1/3, -z+1/3'
        'y+2/3, -x+y+1/3, -z+1/3'
        'x-y+2/3, x+1/3, -z+1/3'
        'y+2/3, x+1/3, -z+1/3'
        'x-y+2/3, -y+1/3, -z+1/3'
        '-x+2/3, -x+y+1/3, -z+1/3'
        '-x+1/3, -y+2/3, -z+2/3'
        'y+1/3, -x+y+2/3, -z+2/3'
        'x-y+1/3, x+2/3, -z+2/3'
        'y+1/3, x+2/3, -z+2/3'
        'x-y+1/3, -y+2/3, -z+2/3'
        '-x+1/3, -x+y+2/3, -z+2/3'
_cell_length_a                  7.646(4)
_cell_length_b                  7.646(4)
_cell_length_c                  26.29(1)
_cell_angle_alpha               90
_cell_angle_beta                90
_cell_angle_gamma               120
_cell_volume                    1331(1)
_cell_formula_units_Z           3
_exptl_crystal_density_diffrn   3.566
_cell_measurement_temperature   293(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Yb      1       0       0       0       .0254(4)
Cs1     1       0       0       .37692(6)
                                        .0474(6)
Cs2     1       0       0       .17229(8)
                                        .091(1)
Cl1     1       .1585(3)
                        .3170(5)
                                -.0580(1)
                                        .048(1)
Cl2     .17     .412(3) -0.175(5)
                                .166(2) .09(2)
_cod_database_code 2005256