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#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/82/9008268.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_9008268
loop_
_publ_author_name
'Toraya, H.'
'Iwai, S.'
'Marumo, F.'
'Hirao, M.'
_publ_section_title
;
 The crystal structure of taeniolite, KLiMg2Si4O10F2
 Note: this is the 1M polytype
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              73
_journal_page_last               83
_journal_volume                  146
_journal_year                    1977
_chemical_compound_source        Synthetic
_chemical_formula_sum            'F2 K0.967 Li0.966 Mg2.034 O10 Si4'
_chemical_name_mineral           Tainiolite
_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                 99.86
_cell_angle_gamma                90
_cell_length_a                   5.231
_cell_length_b                   9.065
_cell_length_c                   10.140
_cell_formula_units_Z            2
_cell_volume                     473.727
_database_code_amcsd             0010797
_exptl_crystal_density_diffrn    2.834
_cod_original_formula_sum        'K.967 (Mg2.034 Li.966) Si4 O10 F2'
_cod_database_code               9008268
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
K 0.00000 0.50000 0.00000 0.96700
Mg1 0.00000 0.00000 0.50000 0.70800
Li1 0.00000 0.00000 0.50000 0.29200
Mg2 0.00000 0.33442 0.50000 0.66300
Li2 0.00000 0.33442 0.50000 0.33700
Si 0.07573 0.16666 0.22829 1.00000
O1 0.04940 0.00000 0.16500 1.00000
O2 0.30750 0.24730 0.16500 1.00000
O3 0.12840 0.16680 0.38710 1.00000
F 0.63330 0.00000 0.39670 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010797
