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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/53/1535389.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_1535389
loop_
_publ_author_name
'Bohnsack, A.'
'Meyer, G.'
_publ_section_title
;
 Ternaere Halogenide des Scandiums mit Natrium, Na3 Sc X6 (X= F, Cl, Br):
 Synthese, Strukturen, Ionenleitfaehigkeit
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              173
_journal_page_last               178
_journal_volume                  622
_journal_year                    1996
_chemical_formula_sum            'F6 Na3 Sc'
_chemical_name_systematic        'Na3 (Sc F6)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.72
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.6016
_cell_length_b                   5.8031
_cell_length_c                   8.121
_cell_volume                     263.966
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Bohnsack_ZAACAB_1996_1779.cif
_cod_data_source_block           F6Na3Sc1
_cod_original_cell_volume        263.9656
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'F6 Na3 Sc1'
_cod_database_code               1535389
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-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
F2 F-1 0.16849 0.28703 -0.07543 1 0.0
Na2 Na+1 0.51389 -0.05305 0.24308 1 0.0
Sc1 Sc+3 0 0 0 1 0.0
F3 F-1 0.12182 0.06515 0.23005 1 0.0
Na1 Na+1 0.5 0.5 0 1 0.0
F1 F-1 -0.29562 0.1774 0.0533 1 0.0
