#------------------------------------------------------------------------------
#$Date: 2023-05-10 20:44:19 +0300 (Wed, 10 May 2023) $
#$Revision: 283658 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/53/9005380.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_9005380
loop_
_publ_author_name
'Vortmann, S.'
'Rius, J.'
'Marler, B.'
'Gies, H.'
_publ_section_title
;
 Structure solution from powder data of the hydrous layer
 silicate kanemite, a precursor of the industrial ion exchanger SKS-6
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              125
_journal_page_last               134
_journal_volume                  11
_journal_year                    1999
_chemical_formula_sum            'H6 Na O8 Si2'
_chemical_name_mineral           Kanemite
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.946
_cell_length_b                   20.510
_cell_length_c                   7.277
_cell_volume                     738.197
_database_code_amcsd             0006765
_exptl_crystal_density_diffrn    1.918
_cod_original_formula_sum        'Si2 O8 Na H6'
_cod_database_code               9005380
loop_
_space_group_symop_operation_xyz
x,y,z
x,-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
1/2+x,1/2+y,1/2-z
1/2-x,1/2-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_U_iso_or_equiv
_atom_site_type_symbol
_atom_site_attached_hydrogens
Si 0.04640 0.29230 -0.03820 0.01400 Si 0
O1 0.00000 0.68880 0.25000 0.02500 O 0
O2 0.35750 0.26730 -0.01510 0.02500 O 0
O3 0.00360 0.35810 0.07800 0.02500 O 0
Na 0.00000 0.01280 0.25000 0.03400 Na 0
Wat4 0.01317 0.07800 -0.02900 0.04400 O 2
Wat5 0.00000 0.53960 0.25000 0.12000 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
;
2023-05-10T18:50:01+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 0006765
