#------------------------------------------------------------------------------
#$Date: 2022-09-15 12:05:42 +0300 (Thu, 15 Sep 2022) $
#$Revision: 277869 $
#$URL: file:///home/coder/svn-repositories/cod/cif/6/00/01/6000171.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_6000171
loop_
_publ_author_name
'Todorov, E.'
'Sevov, S. C.'
_publ_section_title
;
 Synthesis and structure of the alkali-metal amalgams A(3)Hg(20) (A = Rb,
 Cs), K3Hg11, Cs5Hg19, and A(7)Hg(31) (A = K, Rb)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              419
_journal_page_last               427
_journal_paper_doi               10.1006/jssc.1999.8569
_journal_volume                  149
_journal_year                    2000
_chemical_formula_sum            'Hg11 K3'
_chemical_formula_weight         2323.78
_space_group_IT_number           71
_space_group_name_Hall           '-I 2 2'
_space_group_name_H-M_alt        'I m m m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            2
_cell_length_a                   5.122(1)
_cell_length_b                   10.063(2)
_cell_length_c                   14.782(3)
_cell_volume                     761.9(3)
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_refine_ls_number_parameters     27
_refine_ls_number_reflns         411
_refine_ls_wR_factor_all         0.2102
_refine_ls_wR_factor_gt          0.1796
_reflns_limit_h_max              6
_reflns_limit_h_min              -6
_reflns_limit_k_max              11
_reflns_limit_k_min              0
_reflns_limit_l_max              17
_reflns_limit_l_min              0
_reflns_threshold_expression     I>2σ(I)
_cod_database_code               6000171
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
-x,-y,-z
x,y,-z
-x,y,z
x,-y,z
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
loop_
_atom_site_label
_atom_site_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Hg(1) 8 l 0 0.2920(2) 0.1402(2) 0.0332(9)
Hg(2) 8 l 0 0.3559(2) 0.3410(2) 0.0321(9)
Hg(3) 4 h 0 0.8254(4) 0.5 0.050(2)
Hg(4) 2 d 0.5 0 0.5 0.084(4)
K(5) 2 a 0 0 0 0.034(8)
K(6) 4 i 0 0 0.709(1) 0.030(5)
