#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/1/1008052.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_1008052
_chemical_name_systematic          'Trimercury bis(tetrachloroaluminate)'
_chemical_formula_structural       'Hg3 (Al Cl4)2'
_chemical_formula_sum              'Al2 Cl8 Hg3'
_publ_section_title
;
Crystal and molecular structure of trimercury chloroaluminate, Hg~3~
(Al Cl~4~)~2~
;
loop_
_publ_author_name
  'Ellison, R D'
  'Levy, H A'
  'Fung, K W'
_journal_name_full                 'Inorganic Chemistry'
_journal_coden_ASTM                INOCAJ
_journal_volume                    11
_journal_year                      1972
_journal_page_first                833
_journal_page_last                 836
_cell_length_a                     7.1321(2)
_cell_length_b                     15.0468(3)
_cell_length_c                     14.1771(4)
_cell_angle_alpha                  90
_cell_angle_beta                   99.050(3)
_cell_angle_gamma                  90
_cell_volume                       1502.5
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 1 21/c 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
  'x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Hg0    0.000
  Hg1+   1.000
  Al3+   3.000
  Cl1-  -1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Hg1   Hg0    4 e -0.18404(9) 0.13704(4) 0.10988(5) 1.  0 d
  Hg2   Hg1+   4 e -0.00717(9) 0.25968(4) 0.03601(4) 1.  0 d
  Hg3   Hg1+   4 e -0.36836(10) 0.02510(5) 0.19604(5) 1.  0 d
  Al1   Al3+   4 e 0.39421(59) 0.31796(29) -0.09490(29) 1.  0 d
  Cl1   Cl1-   4 e 0.31815(57) 0.32796(30) -0.24468(25) 1.  0 d
  Cl2   Cl1-   4 e 0.40606(60) 0.18420(26) -0.04485(31) 1.  0 d
  Cl3   Cl1-   4 e 0.17632(49) 0.38322(22) -0.02709(26) 1.  0 d
  Cl4   Cl1-   4 e 0.64602(50) 0.39109(25) -0.04707(30) 1.  0 d
  Al2   Al3+   4 e -0.80499(57) -0.10232(29) 0.22323(28) 1.  0 d
  Cl5   Cl1-   4 e -0.84623(61) -0.23794(25) 0.18960(26) 1.  0 d
  Cl6   Cl1-   4 e -0.51528(49) -0.08778(27) 0.29828(25) 1.  0 d
  Cl7   Cl1-   4 e -0.99464(55) -0.06305(29) 0.31540(26) 1.  0 d
  Cl8   Cl1-   4 e -0.82452(58) -0.02137(25) 0.09877(23) 1.  0 d
_refine_ls_R_factor_all            0.082