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#$Date: 2013-05-05 17:21:46 +0300 (Sun, 05 May 2013) $
#$Revision: 85285 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/94/9009406.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_9009406
loop_
_publ_author_name
'Basso, R.'
'Lucchetti, G.'
'Zefiro, L.'
'Palenzona, A.'
_publ_section_title
;
 Cerchiaraite, a new natural Ba-Mn-mixed-anion silicate chloride from
 the Cerchiara mine, northern Apennines, Italy
 Locality: Cerchiara mine, Va di Vara, northern Apennines, Italy
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              373
_journal_page_last               384
_journal_volume                  2000
_journal_year                    2000
_chemical_formula_sum            'Ba4 Cl Mn4 O25 Si6'
_chemical_name_mineral           Cerchiaraite
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   14.215
_cell_length_b                   14.215
_cell_length_c                   6.126
_cell_volume                     1237.858
_exptl_crystal_density_diffrn    3.684
_[local]_cod_chemical_formula_sum_orig 'Ba4 Mn4 Si6 Cl O25'
_cod_database_code               9009406
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,1/2+z
-y,-x,z
1/2-y,1/2-x,1/2+z
y,x,-z
1/2+y,1/2+x,1/2-z
y,-x,-z
1/2+y,1/2-x,1/2-z
-y,x,z
1/2-y,1/2+x,1/2+z
x,-y,z
1/2+x,1/2-y,1/2+z
-x,y,-z
1/2-x,1/2+y,1/2-z
x,y,-z
1/2+x,1/2+y,1/2-z
-x,-y,z
1/2-x,1/2-y,1/2+z
y,x,z
1/2+y,1/2+x,1/2+z
-y,-x,-z
1/2-y,1/2-x,1/2-z
-y,x,-z
1/2-y,1/2+x,1/2-z
y,-x,z
1/2+y,1/2-x,1/2+z
-x,y,z
1/2-x,1/2+y,1/2+z
x,-y,-z
1/2+x,1/2-y,1/2-z
-x,-y,-z
1/2-x,1/2-y,1/2-z
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
Ba 0.21900 0.00000 0.00000 1.00000 0.01596
Mn 0.25000 0.25000 0.25000 1.00000 0.01102
Si1 0.38810 0.38810 0.00000 1.00000 0.00836
Si2 0.11300 0.43100 0.00000 0.25000 0.01520
Cl 0.00000 0.00000 0.00000 1.00000 0.01760
O1 0.34540 0.34540 0.22360 1.00000 0.01343
O2 0.17310 0.31060 0.00000 1.00000 0.04015
O3 0.36930 0.50000 0.00000 1.00000 0.01976
O4 0.40300 0.00000 0.00000 0.25000 0.02723
O5 0.00000 0.36400 0.30700 0.50000 0.03863