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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/39/8103977.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_8103977
loop_
_publ_author_name
'Bohnsack, A.'
'Meyer, G.'
'Wickleder, M.S.'
_publ_section_title
;
 Crystal structure of sodium tetrachloroscandate, Na Sc Cl4
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              394
_journal_page_last               394
_journal_volume                  211
_journal_year                    1996
_chemical_formula_sum            'Cl4 Na Sc'
_chemical_name_systematic        'Na (Cl2 (Sc Cl2))'
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.188
_cell_length_b                   15.543
_cell_length_c                   6.367
_cell_volume                     612.379
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Bohnsack_ZEKRDZ_1996_1893.cif
_cod_data_source_block           Cl4Na1Sc1
_cod_original_cell_volume        612.3787
_cod_original_formula_sum        'Cl4 Na1 Sc1'
_cod_database_code               8103977
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x,y,-z+1/2
-x,-y,-z
x-1/2,y-1/2,-z-1/2
-x-1/2,y-1/2,z
x,-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
Sc1 Sc+3 0 0.07059 0.75 1 0.0
Cl1 Cl-1 0.2345 0.17769 0.60438 1 0.0
Cl2 Cl-1 0.226 0.04919 0.07376 1 0.0
Na1 Na+1 0 0.32002 0.75 1 0.0
