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#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
#$Revision: 287519 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/15/2101503.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2101503
loop_
_publ_author_name
'Hamada, E.'
'Ishizawa, N.'
'Marumo, F.'
'Ohsumi, K.'
'Shimizugawa, Y.'
'Reizen, K.'
'Matsunami, T.'
_publ_section_title
;
 Structure of Mg₆SO₂(OH)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            'H14 Mg6 O16 S'
_space_group_crystal_system      orthorhombic
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2c'
_space_group_name_H-M_alt        'C c m m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   15.8950(10)
_cell_length_b                   3.1050(10)
_cell_length_c                   13.3670(10)
_cell_volume                     659.64(3)
_diffrn_radiation_wavelength     1.00
_exptl_crystal_density_diffrn    2.3
_cod_data_source_file            oh0055.cif
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-10
;
_cod_original_sg_symbol_Hall     '-C 21 -2c'
_cod_database_code               2101503
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z+1/2
3 x,-y,-z+1/2
4 -x,y,-z
5 -x,-y,-z
6 x,y,-z+1/2
7 -x,y,z+1/2
8 x,-y,z
9 x+1/2,y+1/2,z
10 -x+1/2,-y+1/2,z+1/2
11 x+1/2,-y+1/2,-z+1/2
12 -x+1/2,y+1/2,-z
13 -x+1/2,-y+1/2,-z
14 x+1/2,y+1/2,-z+1/2
15 -x+1/2,y+1/2,z+1/2
16 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_U_iso_or_equiv
Mg(1) .0 .0 .0 .018
Mg(2) .3748(5) .0 .1322 .012
S .1929(12) .0 .25 .011
O(1) .3887(13) .5 .25 .012
O(2) .1404(16) .370(16) .25 .026
O(3) .0028(10) .5 .1066(10) .009
O(4) .1290(9) .0 -.0340(10) .011
O(5) .2441(10) .0 .1511(11) .025
_cod_duplicate_entry 1100095
