#------------------------------------------------------------------------------
#$Date: 2023-05-10 19:44:19 +0200 (Wed 10 de May de 2023) $
#$Revision: 283658 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/18/9011858.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_9011858
loop_
_publ_author_name
'Aleksandrova, V. A.'
'Drits, V. A.'
'Sokolova, G. V.'
_publ_section_title
;
 Crystal structure of ditrioctahedral chlorite
;
_journal_name_full               'Soviet Physics Crystallography'
_journal_page_first              50
_journal_page_last               53
_journal_volume                  18
_journal_year                    1973
_chemical_formula_sum            'Al4.17 H8 Mg1.95 O18 Si2.88'
_chemical_name_mineral           Sudoite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.67
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.225
_cell_length_b                   9.058
_cell_length_c                   28.380
_cell_volume                     1340.416
_database_code_amcsd             0015561
_exptl_crystal_density_diffrn    2.660
_cod_original_formula_sum        'Mg1.95 Al4.17 Si2.88 O18 H8'
_cod_database_code               9011858
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
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_type_symbol
_atom_site_attached_hydrogens
MgM1 0.75300 0.91400 0.00000 0.84000 Mg 0
AlM1 0.75300 0.91400 0.00000 0.16000 Al 0
MgM2 0.75000 0.25000 0.00000 0.27000 Mg 0
AlM2 0.75000 0.25000 0.00000 0.73000 Al 0
Al1 0.50000 0.25100 0.25000 1.00000 Al 0
Al2 0.50000 0.91800 0.25000 1.00000 Al 0
AlT1 0.65100 0.75000 0.15490 0.56000 Al 0
SiT1 0.65100 0.75000 0.15490 0.44000 Si 0
SiT2 0.65100 0.41800 0.15420 1.00000 Si 0
O1 0.41600 0.32600 0.12980 1.00000 O 0
O2 0.58700 0.58000 0.13740 1.00000 O 0
O3 -0.09200 0.35000 0.13340 1.00000 O 0
O4 0.67200 0.41200 0.21200 1.00000 O 0
O5 0.67200 0.75600 0.21670 1.00000 O 0
O-H1 0.43500 0.26400 0.03570 1.00000 O 1
O-H2 0.44100 0.59400 0.04040 1.00000 O 1
O-H3 0.41900 0.90200 0.03600 1.00000 O 1
O-H4 0.13800 0.58600 0.21590 1.00000 O 1
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1
;cod-tools version 3.8.0
Id: cif_guess_AMCSD_atom_types 9574 2023-05-10 09:00:05Z saulius
;
2023-05-10T18:53:31+03:00
;Derived atom types and hydrogen counts
from atom names that follow the AMCSD naming convention
(Wat == water, O-H == hydroxyl).
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015561
