#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/79/9007998.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_9007998
loop_
_publ_author_name
'Kouass, S.'
'Boughzala, H.'
_publ_section_title
;
 NASICON-type Li2.5K0.16Na0.34Cr2(PO4)3
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i231
_journal_page_last               i233
_journal_paper_doi               10.1107/S1600536805022269
_journal_volume                  61
_journal_year                    2005
_chemical_compound_source        Synthetic
_chemical_formula_structural     Li2.5K0.16Na0.34Cr2(PO4)3
_chemical_formula_sum            'Cr4 K0.31 Li4.998 Na0.69 O24 P6'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   8.300
_cell_length_b                   8.300
_cell_length_c                   22.469
_cell_formula_units_Z            3
_cell_volume                     1340.512
_database_code_amcsd             0010459
_exptl_crystal_density_diffrn    3.123
_cod_original_cell_volume        1340.511
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Li4.998 (K.31 Na.69) Cr4 P6 O24'
_cod_database_code               9007998
_amcsd_formula_title             Li2.5K0.16Na0.34Cr2(PO4)3
loop_
_space_group_symop_operation_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
y,-x+y,-z
2/3+y,1/3-x+y,1/3-z
1/3+y,2/3-x+y,2/3-z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
-x,-y,-z
2/3-x,1/3-y,1/3-z
1/3-x,2/3-y,2/3-z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
x-y,x,-z
2/3+x-y,1/3+x,1/3-z
1/3+x-y,2/3+x,2/3-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
Li1 0.30530 0.35340 0.11600 0.50400 0.00600
Li2 0.23600 0.56500 0.16780 0.32900 0.01200
K 0.00000 0.00000 0.00000 0.31000 0.04060
Na 0.00000 0.00000 0.00000 0.69000 0.04060
Cr1 0.66667 0.33333 -0.02212 1.00000 0.00700
Cr2 0.66667 0.33333 0.18177 1.00000 0.00730
P 0.66663 0.62046 0.08315 1.00000 0.00640
O1 0.67590 0.53350 0.02513 1.00000 0.01710
O2 0.53680 0.70280 0.07835 1.00000 0.01140
O3 0.86490 0.77700 0.09910 1.00000 0.01110
O4 0.58110 0.47650 0.13478 1.00000 0.01450
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010459
