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#$Date: 2010-06-10 19:56:54 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1214 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9013695.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_9013695
loop_
_publ_author_name
'Nagashima, M.'
'Akasaka, M.'
'Minakawa, T.'
'Libowitzky, E.'
'Armbruster, T.'
_publ_section_title
;
 Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth
 Locality: Gambatesa, Italy
 Sample Number: 7
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1440
_journal_page_last               1449
_journal_volume                  94
_journal_year                    2009
_chemical_formula_sum            'Al3 H3 Mn2 O14 Si3'
_chemical_name_mineral           Sursassite
_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                 108.879
_cell_angle_gamma                90
_cell_length_a                   8.715
_cell_length_b                   5.7981
_cell_length_c                   9.798
_cell_volume                     468.463
_exptl_crystal_density_diffrn    3.559
_[local]_cod_chemical_formula_sum_orig 'Mn2 Al3 Si3 O14 H3'
_cod_database_code               9013695
_amcsd_database_code             AMCSD#0004991
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mn1 0.16770 0.25000 0.31420
Mn2 0.26930 0.25000 0.67600
Al1 0.50000 0.00000 0.50000
Al2 0.50000 0.00000 0.00000
Al3 0.00000 0.50000 0.00000
Si1 0.30740 0.75000 0.19230
Si2 0.20660 0.75000 0.80770
Si3 0.15660 0.75000 0.49470
O1 0.26380 0.51350 0.50270
O2 0.19120 0.52450 0.16310
O3 0.31460 0.51840 0.83530
O4 0.41610 0.75000 0.08290
O5 0.44590 0.75000 0.35320
O-H6 0.08450 0.25000 0.92910
O7 0.43910 0.25000 0.36790
O8 0.07190 0.75000 0.89340
O9 0.09210 0.75000 0.63750
O10 -0.00780 0.75000 0.35710
O11 0.41300 0.25000 0.07310
H7 0.45000 0.25000 0.27000
H11B 0.48000 0.25000 0.17600