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#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/93/9009355.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_9009355
loop_
_publ_author_name
'Bonaccorsi, E.'
'Merlino, S.'
'Pasero, M.'
_publ_section_title
;Trikalsilite: its structural relationships with nepheline and tetraskalsilite
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              559
_journal_page_last               567
_journal_volume                  1988
_journal_year                    1988
_chemical_compound_source
'Near Mt. Nyiragongo, Virunga volcanic field, North Kivu, Zaire'
_chemical_formula_sum            'Al3 K2 Na O12 Si3'
_chemical_name_mineral           Trikalsilite
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   15.339
_cell_length_b                   15.339
_cell_length_c                   8.501
_cell_volume                     1732.187
_database_code_amcsd             0014833
_exptl_crystal_density_diffrn    2.637
_cod_original_formula_sum        'Na K2 Al3 Si3 O12'
_cod_database_code               9009355
loop_
_space_group_symop_operation_xyz
x,y,z
x-y,x,1/2+z
-y,x-y,z
-x,-y,1/2+z
-x+y,-x,z
y,-x+y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
NaM2 0.36890 0.01330 0.75000 0.70000 0.02406
KM2 0.36890 0.01330 0.75000 0.30000 0.02406
KM1 0.00000 0.00000 0.75530 1.00000 0.01773
KM3 0.29220 0.31950 0.74740 0.70000 0.01900
NaM3 0.29220 0.31950 0.74740 0.30000 0.01900
KM4 0.33333 0.66667 0.73710 1.00000 0.03293
KM5 0.66667 0.33333 0.76010 1.00000 0.01140
Al1 0.44530 0.23510 0.55370 1.00000 0.00633
Al2 0.05440 0.21470 0.56380 1.00000 0.01267
Al3 0.41470 0.53540 0.56140 1.00000 0.00887
Si1 0.19470 0.43740 0.43730 1.00000 0.00633
Si2 0.21960 0.15930 0.43610 1.00000 0.01393
Si3 0.56630 0.45720 0.44250 1.00000 0.00887
O1 0.18300 0.43200 0.25300 1.00000 0.06713
O2 0.20100 0.18400 0.25500 1.00000 0.02153
O3 0.56000 0.45300 0.25000 1.00000 0.09499
O4 0.19700 0.54200 0.47200 1.00000 0.02153
O5 0.54600 0.34800 0.49400 1.00000 0.01393
O6 0.10800 0.34300 0.51600 1.00000 0.02153
O7 0.33500 0.22700 0.47900 1.00000 0.03293
O8 0.15400 0.19000 0.55600 1.00000 0.00887
O9 0.17300 0.03700 0.44500 1.00000 0.01520
O10 0.30500 0.44800 0.45800 1.00000 0.01646
O11 0.45800 0.14000 0.47900 1.00000 0.01646
O12 0.49300 0.48700 0.52700 1.00000 0.04179
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014833