#------------------------------------------------------------------------------
#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/92/9009264.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_9009264
loop_
_publ_author_name
'Sejkora, J.'
'Berlepsch, P.'
'Makovicky, E.'
'Balic-Zunic T'
'Litochleb, J.'
_publ_section_title
;
 Teallite from Radvanice near Trutnov (Czech Republic)
 Sample: Anisotropic refinement
;
_journal_name_full
'Neues Jahrbuch fur Mineralogie, Abhandlungen'
_journal_page_first              163
_journal_page_last               180
_journal_volume                  177
_journal_year                    2002
_chemical_compound_source        'Radvanice near Trutnov, Czech Republic'
_chemical_formula_sum            'Pb0.41 S0.93 Se0.07 Sn0.59'
_chemical_name_mineral           Teallite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.4085
_cell_length_b                   4.0860
_cell_length_c                   4.2813
_cell_formula_units_Z            4
_cell_volume                     199.573
_database_code_amcsd             0014722
_exptl_crystal_density_diffrn    6.335
_cod_original_formula_sum        '(Pb.41 Sn.59) (S.93 Se.07)'
_cod_database_code               9009264
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+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
Pb 0.02830 0.01820 0.01980 0.00000 -0.00160 0.00000
Sn 0.02650 0.01690 0.01760 0.00000 0.00040 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
Pb 0.12070 0.25000 0.10890 0.41000 0.02210
Sn 0.12070 0.25000 0.10890 0.59000 0.02210
S 0.35330 0.25000 0.02900 0.93000 0.02000
Se 0.35330 0.25000 0.02900 0.07000 0.02000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014722
