#------------------------------------------------------------------------------
#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/36/9013691.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_9013691
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
 Sample Number: 3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1440
_journal_page_last               1449
_journal_paper_doi               10.2138/am.2009.3223
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source        'Kamisugai, Japan'
_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                 109.060
_cell_angle_gamma                90
_cell_length_a                   8.7278
_cell_length_b                   5.8065
_cell_length_c                   9.8121
_cell_volume                     469.996
_database_code_amcsd             0004988
_exptl_crystal_density_diffrn    3.548
_cod_original_formula_sum        'Mn2 Al3 Si3 O14 H3'
_cod_database_code               9013691
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_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mn1 0.17060 0.25000 0.31322
Mn2 0.27630 0.25000 0.67528
Al1 0.50000 0.00000 0.50000
Al2 0.50000 0.00000 0.00000
Al3 0.00000 0.50000 0.00000
Si1 0.30710 0.75000 0.19060
Si2 0.20710 0.75000 0.80720
Si3 0.15320 0.75000 0.49520
O1 0.25660 0.51300 0.50040
O2 0.19080 0.52580 0.16280
O3 0.31510 0.51910 0.83280
O4 0.41420 0.75000 0.08000
O5 0.44920 0.75000 0.34920
O-H6 0.08410 0.25000 0.92830
O-H7 0.43730 0.25000 0.36820
O8 0.07260 0.75000 0.89380
O9 0.08860 0.75000 0.63690
O10 -0.01310 0.75000 0.35690
O-H11 0.41060 0.25000 0.06960
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0004988