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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/56/1525699.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1525699
loop_
_publ_author_name
'Bordallo, H.N.'
'Henning, R.W.'
'Sosman, L.P.'
'Hanif, K.M.'
'da Fonseca, R.J.M.'
'Dias Tavares, A.jr.'
'Strouse, G.F.'
_publ_section_title
;
 Structural and vibrational study of chromium doped elpasolite crystals
 Cs2 Na Al F6
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              4300
_journal_page_last               4305
_journal_volume                  115
_journal_year                    2001
_chemical_formula_sum            'Al Cs2 F6 Na'
_chemical_name_systematic        'Cs2 Na (Al F6)'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   6.1811
_cell_length_b                   6.1811
_cell_length_c                   29.845
_cell_volume                     987.492
_citation_journal_id_ASTM        JCPSA6
_cod_data_source_file            Bordallo_JCPSA6_2001_1366.cif
_cod_data_source_block           Al1Cs2F6Na1
_cod_original_cell_volume        987.4923
_cod_original_formula_sum        'Al1 Cs2 F6 Na1'
_cod_database_code               1525699
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Cs1 Cs+1 0 0 0.78 1 0.0
F1 F-1 0.136 0.864 0.9638 1 0.0
Na1 Na+1 0 0 0.0982 1 0.0
Al2 Al+3 0 0 0.5 1 0.0
F2 F-1 0.1941 0.8059 0.1317 1 0.0
Al1 Al+3 0 0 0 1 0.0
Cs2 Cs+1 0 0 0.62818 1 0.0
