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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/48/1534849.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_1534849
loop_
_publ_author_name
'Shilov, G.V.'
'Atovmyan, L.O.'
_publ_section_title
;
 Composition and structure of solid electrolyte: sodium-magnesium-titanium
 ternary oxide.
;
_journal_name_full               Kristallografiya
_journal_page_first              824
_journal_page_last               828
_journal_volume                  40
_journal_year                    1995
_chemical_formula_sum            'Mg2 Na20 O52 Ti20'
_chemical_name_systematic        'Na20 Mg2 Ti20 O52'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y (-x,z,y)'
_symmetry_space_group_name_H-M   'C 1 2/m 1 (-a,c,b)'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                86.29
_cell_formula_units_Z            1
_cell_length_a                   37.586
_cell_length_b                   9.451
_cell_length_c                   2.969
_cell_volume                     1052.454
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Shilov_KRISAJ_1995_1525.cif
_cod_data_source_block           Mg2Na20O52Ti20
_cod_original_sg_symbol_H-M      'B 1 1 2/m'
_cod_database_code               1534849
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x,-y,-z
x,y,-z
x+1/2,y,z+1/2
-x+1/2,-y,z+1/2
-x+1/2,-y,-z+1/2
x+1/2,y,-z+1/2
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
O8 O-2 -0.053 0.004 0 1 0.0
Na1 Na+1 -0.2056 0.233 0 1 0.0
Na7 Na+1 0 0.5 0.5 0.28 0.0
Mg5 Mg+2 -0.2203 -0.0896 0.5 0.091 0.0
Ti1 Ti+4 0 0 0 0.909 0.0
Mg2 Mg+2 -0.0656 -0.1311 0.5 0.091 0.0
Mg1 Mg+2 0 0 0 0.091 0.0
Mg6 Mg+2 -0.1394 0.3977 0.5 0.091 0.0
O10 O-2 -0.1096 0.588 0.5 1 0.0
O7 O-2 -0.2418 0.108 0.5 1 0.0
Na3 Na+1 -0.0638 0.207 0.5 0.52 0.0
O6 O-2 -0.2276 0.424 0.5 1 0.0
O1 O-2 -0.0458 0.468 0.5 1 0.0
Ti5 Ti+4 -0.2203 -0.0896 0.5 0.909 0.0
O4 O-2 -0.1025 0.36 0 1 0.0
O11 O-2 -0.0593 -0.272 0 1 0.0
Na5 Na+1 -0.0017 -0.357 0 0.74 0.0
Na2 Na+1 -0.1443 0.742 0 1 0.0
Mg3 Mg+2 -0.0764 0.5321 0 0.091 0.0
O13 O-2 -0.1102 -0.095 0.5 1 0.0
Na4 Na+1 -0.1361 0.062 0 1 0.0
Ti4 Ti+4 -0.2186 0.5611 0 0.909 0.0
O5 O-2 0.0011 0.135 0.5 1 0.0
Na8 Na+1 0 -0.5 0 0.24 0.0
Ti3 Ti+4 -0.0764 0.5321 0 0.909 0.0
O12 O-2 -0.1554 0.232 0.5 1 0.0
Mg4 Mg+2 -0.2186 0.5611 0 0.091 0.0
O2 O-2 -0.2136 0.695 0.5 1 0.0
Ti6 Ti+4 -0.1394 0.3977 0.5 0.909 0.0
Ti2 Ti+4 -0.0656 -0.1311 0.5 0.909 0.0
Na6 Na+1 0.047 -0.253 0 0.48 0.0
O3 O-2 -0.1896 0.934 0 1 0.0
O9 O-2 -0.1673 0.489 0 1 0.0