#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/75/9017515.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_9017515
loop_
_publ_author_name
'Brandao, P.'
'Rocha, J.'
'Reis, M. S.'
'dos Santos, A. M.'
'Jin, R.'
_publ_section_title
;
 Magnetic properties of KNaMSi4O10 compounds (M=Mn,Fe,Cu)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              253
_journal_page_last               258
_journal_volume                  182
_journal_year                    2009
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu K Na O10 Si4'
_chemical_name_mineral           Litidionite
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                105.559
_cell_angle_beta                 99.534
_cell_angle_gamma                114.156
_cell_length_a                   6.9704
_cell_length_b                   8.0111
_cell_length_c                   9.7896
_cell_formula_units_Z            2
_cell_volume                     456.317
_database_code_amcsd             0019812
_exptl_crystal_density_diffrn    2.896
_cod_data_source_file            inputs/fixed/downloads/17/17423.cif
_cod_data_source_block           17423
_cod_original_formula_sum        'K Na Cu Si4 O10'
_cod_database_code               9017515
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_U_iso_or_equiv
K 0.16520 0.79690 0.49606 0.02070
Na 0.16250 1.12870 0.90840 0.01880
Cu 0.33764 0.87111 1.08760 0.00953
Si1 0.31190 1.17380 0.35912 0.00810
Si2 0.34380 0.61710 0.77415 0.00830
Si3 0.45820 1.28780 0.71053 0.00730
Si4 0.06610 0.35430 0.22202 0.00880
O1 0.46730 0.79180 0.93220 0.01480
O2 0.35500 1.18480 0.53030 0.01950
O3 0.45500 0.66810 0.64770 0.01320
O4 0.05410 0.79820 0.94460 0.01450
O5 0.22100 0.95750 1.24680 0.01430
O6 0.08970 0.56780 0.70530 0.01280
O7 0.58250 0.88430 1.22810 0.01090
O8 -0.32760 0.59340 0.22850 0.01750
O9 0.28400 0.55280 0.24360 0.01950
O10 -0.13220 0.74820 0.66740 0.01450
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019812
