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#$Date: 2015-09-18 00:30:16 +0300 (Fri, 18 Sep 2015) $
#$Revision: 157175 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/16/1531653.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_1531653
loop_
_publ_author_name
'Jin, X.-R.'
'Zhang, L.-D.'
'Guo, H.-Y.'
'Shu, G.-M.'
'Wang, R.-J.'
_publ_section_title
;
 Synthesis and characterization of a novel quaternary metal selenide K2
 Hg3 Ge2 Se8
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              67
_journal_page_last               71
_journal_volume                  347
_journal_year                    2002
_chemical_formula_sum            'Ge2 Hg3 K2 Se8'
_chemical_name_systematic        'K2 Hg3 Ge2 Se8'
_space_group_IT_number           41
_symmetry_space_group_name_Hall  'A 2 -2ab'
_symmetry_space_group_name_H-M   'A b a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.851
_cell_length_b                   10.004
_cell_length_c                   8.6097
_cell_volume                     1709.795
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Jin_JALCEU_2002_592.cif
_cod_data_source_block           Ge2Hg3K2Se8
_cod_database_code               1531653
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x+1/2,y+1/2,z
x+1/2,-y+1/2,z
x,y+1/2,z+1/2
-x,-y+1/2,z+1/2
-x+1/2,y+1,z+1/2
x+1/2,-y+1,z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Se2 Se-2 0.86758 0.59221 0.16199 1 0.0
Se3 Se-2 0.62004 0.48365 0.16519 1 0.0
K1 K+1 0.88313 0.2958 0.3207 1 0.0
Se4 Se-2 0.53448 0.76399 0.9687 1 0.0
Se1 Se-2 0.7296 0.79323 0.9618 1 0.0
Ge1 Ge+4 0.63293 0.78769 0.81383 1 0.0
Hg1 Hg+2 0.5 0 0.96331 1 0.0
Hg2 Hg+2 0.7426 0.5462 0.12387 1 0.0
