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#$Date: 2010-04-10 21:37:29 +0300 (Sat, 10 Apr 2010) $
#$Revision: 1071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007488.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_9007488
loop_
_publ_author_name
'Lajzerowicz, J.'
_publ_section_title
;
 Etude par diffraction des rayons X et absorption infra-rouge
 de la barysilite, MnPb8.3Si2O7, et de composes isomorphes
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              357
_journal_page_last               363
_journal_volume                  20
_journal_year                    1965
_chemical_formula_sum            'Mn O21 Pb8 Si6'
_chemical_name_mineral           Barysilite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.821
_cell_length_b                   9.821
_cell_length_c                   38.38
_cell_volume                     3205.878
_exptl_crystal_density_diffrn    6.890
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_8834'
_[local]_cod_cif_authors_sg_H-M  'R -3 c'
_[local]_cod_chemical_formula_sum_orig 'Pb8 Mn Si6 O21'
_cod_database_code               9007488
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
x,x-y,1/2+z
2/3+x,1/3+x-y,5/6+z
1/3+x,2/3+x-y,1/6+z
y,x,1/2-z
2/3+y,1/3+x,5/6-z
1/3+y,2/3+x,1/6-z
-x+y,y,1/2+z
2/3-x+y,1/3+y,5/6+z
1/3-x+y,2/3+y,1/6+z
-x,-x+y,1/2-z
2/3-x,1/3-x+y,5/6-z
1/3-x,2/3-x+y,1/6-z
-y,-x,1/2+z
2/3-y,1/3-x,5/6+z
1/3-y,2/3-x,1/6+z
x-y,-y,1/2-z
2/3+x-y,1/3-y,5/6-z
1/3+x-y,2/3-y,1/6-z
y,-x+y,-z
2/3+y,1/3-x+y,1/3-z
1/3+y,2/3-x+y,2/3-z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
-x,-y,-z
2/3-x,1/3-y,1/3-z
1/3-x,2/3-y,2/3-z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
x-y,x,-z
2/3+x-y,1/3+x,1/3-z
1/3+x-y,2/3+x,2/3-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pb1 0.25600 0.23600 0.03930 0.00633
Pb2 0.00000 0.00000 0.16290 0.01140
Mn 0.00000 0.00000 0.25000 0.00380
Si 0.68000 0.68000 0.04300 0.13932
O1 0.61000 0.00000 0.25000 0.00253
O2 0.79000 0.83000 0.01900 -0.00127
O3 0.73000 0.55000 0.05000 0.00380
O4 0.52000 0.60000 0.02300 0.01013