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#$Date: 2015-09-08 22:44:48 +0300 (Tue, 08 Sep 2015) $
#$Revision: 155332 $
#$URL: svn://www.crystallography.net/cod/cif/4/03/14/4031470.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_4031470
loop_
_publ_author_name
'Lazoryak, B.I.'
'Efremov, V.A.'
_publ_section_title
;
 Phases with variable composition Na2x M(III)2x Sc2/(1-x) (Mo O4)3 (M =
 Zn, Cd, Mg)
;
_journal_name_full
;
Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)
;
_journal_page_first              365
_journal_page_last               368
_journal_volume                  32
_journal_year                    1987
_chemical_formula_sum            'Mo3 Na0.625 O12 Sc1.375 Zn0.625'
_chemical_name_systematic        'Na.625 (Zn.625 Sc1.375) (Mo O4)3'
_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                   9.526
_cell_length_b                   9.526
_cell_length_c                   23.392
_cell_volume                     1838.312
_citation_journal_id_ASTM        RJICAQ
_cod_data_source_file            Lazoryak_RJICAQ_1987_1481.cif
_cod_data_source_block           Mo3Na0.625O12Sc1.375Zn0.625
_cod_database_code               4031470
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
O2 O-2 0.009 0.1846 0.1885 1 0.0
O1 O-2 0.1876 0.1594 0.0835 1 0.0
Na1 Na+1 0 0 0 0.5 0.0
Mo1 Mo+6 0 0.2852 0.25 1 0.0
Zn1 Zn+2 0 0 0.1384 0.3125 0.0
Sc1 Sc+3 0 0 0.1384 0.6875 0.0
