#------------------------------------------------------------------------------
#$Date: 2023-05-10 20:44:19 +0300 (Wed, 10 May 2023) $
#$Revision: 283658 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/19/9011946.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_9011946
loop_
_publ_author_name
'Brauner, K.'
'Preisinger, A.'
_publ_section_title
;
 Struktur und entstehung des sepioliths
;
_journal_name_full
'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_page_first              120
_journal_page_last               140
_journal_volume                  6
_journal_year                    1956
_chemical_formula_sum            'H14 Mg4 O23 Si6'
_chemical_name_mineral           Sepiolite
_space_group_IT_number           52
_symmetry_space_group_name_Hall  '-P 2ab 2n'
_symmetry_space_group_name_H-M   'P n c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.4
_cell_length_b                   26.79999
_cell_length_c                   5.28
_cell_volume                     1896.153
_database_code_amcsd             0015633
_exptl_crystal_density_diffrn    2.269
_cod_original_formula_sum        'Mg4 Si6 O23 H14'
_cod_database_code               9011946
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,1/2+y,-z
1/2-x,1/2-y,z
x,-y,1/2+z
-x,y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
_atom_site_attached_hydrogens
Mg1 0.00000 0.02800 0.25000 Mg 0
Mg2 0.00000 0.91600 0.25000 Mg 0
Mg3 0.00000 0.14000 0.25000 Mg 0
Mg4 0.00000 0.80400 0.25000 Mg 0
Si1 0.20800 0.02800 0.56250 Si 0
Si2 0.20800 0.14000 0.56250 Si 0
Si3 0.20800 0.19600 0.06250 Si 0
O1 0.25000 0.25000 0.06250 O 0
O2 0.08400 0.02800 0.56250 O 0
O3 0.08400 0.14000 0.56250 O 0
O4 0.08400 0.19600 0.06250 O 0
O5 0.24000 0.00000 0.31250 O 0
O6 0.24000 0.08400 0.56250 O 0
O7 0.24000 0.16800 0.31250 O 0
O8 0.24000 0.16800 0.81250 O 0
O-H 0.08400 0.08400 0.06250 O 1
Wat1 0.08300 0.25000 0.50000 O 2
Wat2 0.08300 0.41600 0.91670 O 2
Wat3 0.00000 0.67200 0.25000 O 2
Wat4 0.00000 0.48500 0.25000 O 2
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
;
2023-05-10T18:53:41+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 0015633
