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#$Date: 2015-09-12 18:06:30 +0300 (Sat, 12 Sep 2015) $
#$Revision: 156027 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/08/1530813.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_1530813
loop_
_publ_author_name
'Sotofte, I.'
'Fu, D.C.'
_publ_section_title
;
 Redetermination of the Crystal Structure of Na3 Sc2 (P O4)3
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              307
_journal_page_last               310
_journal_volume                  26
_journal_year                    1988
_chemical_formula_sum            'Na1.2 O12 P3 Sc2'
_chemical_name_systematic        'Na1.2 Sc2 (P 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                   8.93
_cell_length_b                   8.93
_cell_length_c                   22.245
_cell_volume                     1536.264
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Sotofte_SSIOD3_1988_1750.cif
_cod_data_source_block           Na1.2O12P3Sc2
_cod_original_cell_volume        1536.265
_cod_database_code               1530813
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 0.4745 0.1605 0.7446 1 0.0
Na2 Na 0 0 0 0.153 0.0
O1 O 0.1856 -0.0235 0.6946 1 0.0
P1 P 0.2951 0 0.75 1 0.0
Sc1 Sc 0 0 0.6487 1 0.0
Na1 Na 0.6372 0 0.75 0.347 0.0
