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#$Date: 2015-09-12 18:06:09 +0300 (Sat, 12 Sep 2015) $
#$Revision: 156026 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/08/1530812.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_1530812
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            'Na4 O12 P3 Sc2'
_chemical_name_systematic        'Na4 Sc2 (P O4)3'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 124.74
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.464
_cell_length_b                   8.936
_cell_length_c                   9.024
_cell_volume                     1024.712
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Sotofte_SSIOD3_1988_1749.cif
_cod_data_source_block           Na4O12P3Sc2
_cod_database_code               1530812
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
O1 O-2 0.2573 0.1733 0.2345 1 0.0
O3 O-2 0.3513 0.1337 0.0831 1 0.0
O4 O-2 0.3478 -0.0681 0.2651 1 0.0
P1 P+5 0.3524 0.1024 0.25 1 0.0
Na1 Na+1 0 0.3872 0.25 1 0.0
O6 O-2 -0.0671 -0.0519 0.0831 1 0.0
O5 O-2 -0.0755 0.1442 0.2647 1 0.0
Na2 Na+1 0.3183 0.4313 0.2493 1 0.0
Na3 Na+1 0.25 0.25 0.5 1 0.0
P2 P+5 0 0.0451 0.25 1 0.0
Sc1 Sc+2 0.1013 0.2499 0.054 1 0.0
O2 O-2 0.451 0.1683 0.4166 1 0.0
