#------------------------------------------------------------------------------
#$Date: 2024-04-25 16:59:02 +0200 (jue 25 de abr de 2024) $
#$Revision: 291351 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/52/9005249.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_9005249
loop_
_publ_author_name
'Ferraris, G.'
'Ivaldi, G.'
'Khomyakov, A. P.'
_publ_section_title
;
 Altisite Na3K6Ti2[Al2Si8O26]Cl3 a new hyperalkaline
 aluminosilicate from Kola Peninsula (Russia) related to
 lemoynite: crystal structure and thermal evolution
 Sample: HT, T = 700 C
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              537
_journal_page_last               546
_journal_volume                  7
_journal_year                    1995
_chemical_compound_source        'Kola Peninsula, Russia'
_chemical_formula_sum            'Al2 Cl3 K5.5 Na3.5 O26 Si8 Ti2'
_chemical_name_mineral           Altisite
_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                 105.62
_cell_angle_gamma                90
_cell_length_a                   10.423
_cell_length_b                   16.333
_cell_length_c                   9.160
_cell_formula_units_Z            2
_cell_volume                     1501.798
_database_code_amcsd             0006595
_diffrn_ambient_temperature      973.15
_exptl_crystal_density_diffrn    2.637
_cod_original_formula_sum        'K5.5 Na3.5 Ti2 Si8 Al2 O26 Cl3'
_cod_database_code               9005249
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_U_iso_or_equiv
K1 0.20520 0.14147 0.10660 0.95000 0.05630
Na1 0.20520 0.14147 0.10660 0.05000 0.05630
K2 0.10280 0.01510 0.36650 0.42500 0.08600
Na2 0.10280 0.01510 0.36650 0.07500 0.08600
Na1 0.00000 0.38470 0.50000 1.00000 0.04650
Na2 0.00000 0.50000 0.00000 1.00000 0.08100
Ti 0.25000 0.25000 0.50000 1.00000 0.01480
Si1 0.72627 0.09803 0.26440 1.00000 0.01640
Si2 0.94619 0.21412 0.27537 1.00000 0.01730
Al 0.00000 0.31552 0.00000 1.00000 0.01910
O1 0.87490 0.12340 0.25200 1.00000 0.02920
O2 0.69460 0.14280 0.40650 1.00000 0.03030
O3 0.62090 0.11830 0.10520 1.00000 0.03430
O4 0.73190 0.00000 0.29180 1.00000 0.03200
O5 0.86490 0.27030 0.36570 1.00000 0.02600
O6 0.92760 0.25300 0.10860 1.00000 0.03550
O7 0.10130 0.19720 0.35490 1.00000 0.03410
Cl1 0.00000 0.00000 0.00000 1.00000 0.07800
Cl2 0.12120 0.50000 0.72820 1.00000 0.06940
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006595
