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#$Date: 2014-07-12 11:06:43 +0300 (Sat, 12 Jul 2014) $
#$Revision: 120115 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/55/9015565.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9015565
loop_
_publ_author_name
'Sejkora, J.'
'Makovicky, E.'
'Topa, D.'
'Putz, H.'
'Zagler, G.'
'Pasil, J.'
_publ_section_title
;
 Litochlebite, Ag2PbBi4Se8, a new selenide mineral species from Zalesi,
 Czech Republic: description and crystal structure
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              639
_journal_page_last               650
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source
'Zalesi uranium deposit, northern Moravia, Czech Republic'
_chemical_formula_sum            'Ag2 Bi4 Pb Se8'
_chemical_name_mineral           Litochlebite
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.164
_cell_angle_gamma                90
_cell_length_a                   13.203
_cell_length_b                   4.186
_cell_length_c                   15.280
_cell_volume                     797.692
_database_code_amcsd             0018384
_exptl_crystal_density_diffrn    7.871
_[local]_cod_chemical_formula_sum_orig 'Pb Bi4 Se8 Ag2'
_cod_database_code               9015565
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Pb1 0.03080 0.02380 0.05700 0.00000 0.01610 0.00000
Bi1 0.02040 0.02150 0.01830 0.00000 0.00450 0.00000
Bi2 0.02360 0.02040 0.01760 0.00000 0.00850 0.00000
Bi3 0.02170 0.02090 0.01900 0.00000 0.00400 0.00000
Bi4 0.02200 0.02180 0.02500 0.00000 0.00310 0.00000
Se1 0.01000 0.01800 0.01700 0.00000 0.00300 0.00000
Se2 0.01700 0.01400 0.02100 0.00000 0.00600 0.00000
Se3 0.01900 0.01800 0.01700 0.00000 0.00700 0.00000
Se4 0.01800 0.01800 0.01900 0.00000 0.00500 0.00000
Se5 0.02200 0.01800 0.01900 0.00000 0.00700 0.00000
Se6 0.02700 0.05700 0.01500 0.00000 0.00900 0.00000
Se7 0.01900 0.01800 0.02300 0.00000 0.00400 0.00000
Se8 0.01700 0.01500 0.01400 0.00000 0.00500 0.00000
Ag1a 0.05900 0.11000 0.01400 0.00000 0.00800 0.00000
Ag1b 0.01000 0.16000 0.06000 0.00000 0.00400 0.00000
Ag2a 0.06600 0.12500 0.07800 0.00000 0.01200 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Pb1 0.23180 0.25000 0.32700 1.00000 0.03690
Bi1 0.04210 0.25000 0.88510 1.00000 0.02050
Bi2 0.56710 0.25000 0.29740 1.00000 0.02010
Bi3 0.70820 0.25000 0.90390 1.00000 0.02120
Bi4 0.92530 0.25000 0.37860 1.00000 0.02390
Se1 0.12190 0.25000 0.51060 1.00000 0.01530
Se2 0.13330 0.25000 0.11430 1.00000 0.01740
Se3 0.30340 0.25000 0.73000 1.00000 0.01770
Se4 0.43290 0.25000 0.07650 1.00000 0.01840
Se5 0.61860 0.25000 0.71020 1.00000 0.01940
Se6 0.65690 0.25000 0.48360 1.00000 0.03200
Se7 0.81630 0.25000 0.11960 1.00000 0.02040
Se8 0.95230 0.25000 0.69530 1.00000 0.01550
Ag1a 0.38000 0.25000 0.90260 0.86000 0.06100
Ag1b 0.37400 -0.07000 0.90200 0.07000 0.08000
Ag2a 0.47080 0.25000 0.52560 0.76000 0.09300
Ag2b 0.50000 0.00000 0.50000 0.24000 0.08000
_journal_paper_doi 10.3749/canmin.49.2.639