#------------------------------------------------------------------------------
#$Date: 2024-08-03 13:19:43 +0300 (Sat, 03 Aug 2024) $
#$Revision: 293658 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/82/9008235.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_9008235
loop_
_publ_author_name
'Takeuchi, Y.'
'Kudoh, Y.'
'Haga, N.'
_publ_section_title
;
 The interpretation of partial Patterson functions and its application
 to structure analyses of serandite Mn2NaHSi3O9 and banalsite BaNa2Al4Si4O16
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              313
_journal_page_last               336
_journal_volume                  138
_journal_year                    1973
_chemical_compound_source        'Tanohata mine, Japan'
_chemical_formula_sum            'H Mn2 Na O9 Si3'
_chemical_name_mineral           Serandite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.53
_cell_angle_beta                 94.12
_cell_angle_gamma                102.75
_cell_formula_units_Z            2
_cell_length_a                   7.683
_cell_length_b                   6.889
_cell_length_c                   6.747
_cell_volume                     347.285
_database_code_amcsd             0010758
_exptl_crystal_density_diffrn    3.463
_cod_original_formula_sum        'Mn2 Na Si3 O9 H'
_cod_database_code               9008235
loop_
_space_group_symop_operation_xyz
x,y,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
Mn1 0.85270 0.59430 0.13630 Mn 0
Mn2 0.84960 0.08400 0.13320 Mn 0
Na1 0.55730 0.25470 0.35180 Na 0
Si1 0.21660 0.40250 0.34140 Si 0
Si2 0.20710 0.95260 0.35060 Si 0
Si3 0.45450 0.73880 0.14300 Si 0
O1 0.66410 0.79530 0.11470 O 0
O2 0.32360 0.70970 0.94310 O 0
O-H3 0.18090 0.49540 0.55330 O 1
O4 0.15990 0.84570 0.55670 O 0
O5 0.06090 0.39050 0.16840 O 0
O6 0.05300 0.89320 0.17270 O 0
O7 0.40770 0.53320 0.27380 O 0
O8 0.39730 0.90520 0.28790 O 0
O9 0.26130 0.19000 0.39280 O 0
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
;
2023-05-10T18:51:17+03:00
;Derived atom types and hydrogen counts
from atom names that follow the AMCSD naming convention
(Wat == water, O-H == hydroxyl).
;
2
;cod-tools version 3.10.1
Id: cif_fix_AMCSD_aniso_labels 10200 2024-08-01 14:09:44Z saulius
;
2024-08-02T12:21:09+03:00
;Changed the following '_atom_site_aniso_label' values:
'OH3' -> 'O-H3'
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010758
