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#$Date: 2015-09-04 18:17:23 +0300 (Fri, 04 Sep 2015) $
#$Revision: 154111 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/96/1529634.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_1529634
loop_
_publ_author_name
'Beyeler, H.U.'
'Hibma, T.'
_publ_section_title
;
 The sodium conductivity paths in the superionic conductors Na5 Re Si4 O12
;
_journal_name_full               'Solid State Communications'
_journal_page_first              641
_journal_page_last               643
_journal_volume                  27
_journal_year                    1978
_chemical_formula_sum            'Na11.89 O36 Si12 Y1.44'
_chemical_name_systematic        'Na15 Y1.44 (Si12 O36)'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   22
_cell_length_b                   22
_cell_length_c                   12.61
_cell_volume                     5285.561
_citation_journal_id_ASTM        SSCOA4
_cod_data_source_file            Beyeler_SSCOA4_1978_315.cif
_cod_data_source_block           Na11.89O36Si12Y1.44
_cod_database_code               1529634
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z+1/2
-x,-x+y,-z+1/2
x-y,-y,-z+1/2
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z-1/2
x,x-y,z-1/2
-x+y,y,z-1/2
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+5/6
-x+2/3,-x+y+1/3,-z+5/6
x-y+2/3,-y+1/3,-z+5/6
-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-1/6
x+2/3,x-y+1/3,z-1/6
-x+y+2/3,y+1/3,z-1/6
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+7/6
-x+1/3,-x+y+2/3,-z+7/6
x-y+1/3,-y+2/3,-z+7/6
-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+1/6
x+1/3,x-y+2/3,z+1/6
-x+y+1/3,y+2/3,z+1/6
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
Si2 Si+4 0.5786 0.1517 0.7102 1 0.0
O5 O-2 0.8851 0.4697 0.1087 1 0.0
Na4 Na+1 0.2744 0 0.75 0.51 0.0
Na2 Na+1 0 0 0.25 0.2 0.0
O3 O-2 0.2351 0.616 0.2931 1 0.0
O1 O-2 0.9039 0.5954 0.2564 1 0.0
O6 O-2 0.8764 0.3643 0.2202 1 0.0
O2 O-2 0.0734 0.2077 0.0127 1 0.0
Na5 Na+1 0.3347 0.1893 0.2818 0.33 0.0
Na1 Na+1 0 0 0 0.2 0.0
Na6 Na+1 0.3292 0.1565 0.1322 0.35 0.0
Si1 Si+4 0.9021 0.5497 0.3577 1 0.0
Y1 Y+3 0 0.7508 0.75 0.48 0.0
O4 O-2 0.9114 0.2706 0.2465 1 0.0
Na3 Na+1 0.0727 0.1404 0.8588 0.98 0.0
