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#$Date: 2015-07-13 03:09:21 +0300 (Mon, 13 Jul 2015) $
#$Revision: 148814 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/73/1527312.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_1527312
loop_
_publ_author_name
'Duc Tran Qui'
'Capponi, J.J.'
'Shannon, R.D.'
'Joubert, J.C.'
_publ_section_title
;
 Crystal structure and ionic conductivity in Na4 Zr2 Si3 O12
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              219
_journal_page_last               229
_journal_volume                  39
_journal_year                    1981
_chemical_formula_sum            'Na4 O12 Si3 Zr2'
_chemical_name_systematic        'Na4 Zr2 Si3 O12'
_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                   9.1863
_cell_length_b                   9.1863
_cell_length_c                   22.181
_cell_volume                     1621.037
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            DucTranQui_JSSCBI_1981_1519.cif
_cod_data_source_block           Na4O12Si3Zr2
_cod_database_code               1527312
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
O1 O-2 0.18534 0.16651 0.08652 1 0.0
Zr1 Zr+4 0 0 0.14719 1 0.0
Si1 Si+4 0.29544 0 0.25 1 0.0
Na2 Na+1 -0.36033 0 0.25 1 0.0
O2 O-2 0.18214 0.02102 0.19199 1 0.0
Na1 Na+1 0 0 0 1 0.0
