#------------------------------------------------------------------------------
#$Date: 2023-05-23 10:35:25 +0200 (Tue 23 de May de 2023) $
#$Revision: 283960 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/18/9001861.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_9001861
loop_
_publ_author_name
'Hawthorne, F. C.'
'Della Ventura, G.'
'Robert, J.-L.'
'Welch, M. D.'
'Jenkins, D. M.'
_publ_section_title
;
 A Rietveld and infrared study of synthetic amphiboles along the
 potassium-richterite-tremolite join
 Sample: Kr40
;
_journal_name_full               'American Mineralogist'
_journal_page_first              708
_journal_page_last               716
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Ca1.6 K0.4 Mg5 Na0.4 O24 Si8'
_chemical_name_mineral           Richterite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.724
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.9548
_cell_length_b                   18.021
_cell_length_c                   5.2735
_cell_volume                     914.975
_database_code_amcsd             0001917
_exptl_crystal_density_diffrn    2.973
_cod_original_formula_sum        'Si8 Mg5 (Ca1.6 Na.4) K.4 O24'
_cod_database_code               9001861
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-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
Si1 0.27840 0.08470 0.29860 1.00000 Si 0
Si2 0.28390 0.17010 0.80080 1.00000 Si 0
Mg1 0.00000 0.08740 0.50000 1.00000 Mg 0
Mg2 0.00000 0.17930 0.00000 1.00000 Mg 0
Mg3 0.00000 0.00000 0.00000 1.00000 Mg 0
Ca4 0.00000 0.27610 0.50000 0.80000 Ca 0
Na4 0.00000 0.27610 0.50000 0.20000 Na 0
KA 0.01000 0.50000 0.02200 0.20000 K 0
O1 0.11470 0.08840 0.22170 1.00000 O 0
O2 0.10410 0.17030 0.71850 1.00000 O 0
O3 0.10500 0.00000 0.71630 1.00000 O 0
O4 0.35290 0.24930 0.78010 1.00000 O 0
O5 0.33890 0.13020 0.08950 1.00000 O 0
O6 0.33660 0.11500 0.59800 1.00000 O 0
O7 0.33300 0.00000 0.30570 1.00000 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 9581 2023-05-17 12:35:41Z saulius
;
2023-05-23T09:16:18+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 0001917
