#------------------------------------------------------------------------------
#$Date: 2016-11-14 04:23:27 +0200 (Mon, 14 Nov 2016) $
#$Revision: 188423 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/42/9014295.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_9014295
loop_
_publ_author_name
'Hamada, E.'
'Ishizawa, N.'
'Marumo, F.'
'Ohsumi, K.'
'Shimizugawa, Y.'
'Reizen, K.'
'Matsunami, T.'
_publ_section_title
;
 Structure of Mg6 S O2 (O H)14 determined by micro single-crystal X-ray
 diffraction
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              266
_journal_page_last               269
_journal_paper_doi               10.1107/S0108768195014443
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'Mg3 O8 S0.5'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2c'
_symmetry_space_group_name_H-M   'C c m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   15.895
_cell_length_b                   3.105
_cell_length_c                   13.367
_cell_volume                     659.715
_database_code_amcsd             0018264
_exptl_crystal_density_diffrn    2.184
_cod_duplicate_entry             1100095
_cod_original_formula_sum        'Mg3 S.5 O8'
_cod_database_code               9014295
_amcsd_formula_title             'H14 Mg6 O16 S'
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
-x,y,1/2+z
1/2-x,1/2+y,1/2+z
x,-y,1/2-z
1/2+x,1/2-y,1/2-z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
x,y,1/2-z
1/2+x,1/2+y,1/2-z
-x,-y,1/2+z
1/2-x,1/2-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mg1 0.00000 0.00000 0.00000 1.00000
Mg2 0.37480 0.00000 0.13220 1.00000
S1 0.19290 0.00000 0.25000 0.50000
O1 0.38870 0.50000 0.25000 1.00000
O2 0.14040 0.37000 0.25000 0.50000
O3 0.00280 0.50000 0.10660 1.00000
O4 0.12900 0.00000 -0.03400 1.00000
O5 0.24410 0.00000 0.15110 1.00000