#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/36/4343633.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_4343633
loop_
_publ_author_name
'Poeppelmeier, K.R.'
'Corbett, J.D.'
'McMullen, T.P.'
'Torgeson, D.R.'
'Barnes, R.G.'
_publ_section_title
;
 Study of the crystal structures and nonstoichiometry in the system Cs3
 Sc2 Cl9 - Cs Sc Cl3
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              129
_journal_page_last               134
_journal_volume                  19
_journal_year                    1980
_chemical_formula_sum            'Cl3 Cs Sc'
_chemical_name_systematic        'Cs Sc Cl3'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   7.35
_cell_length_b                   7.35
_cell_length_c                   6.045
_cell_volume                     282.814
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Poeppelmeier_INOCAJ_1980_961.cif
_cod_data_source_block           Cl3Cs1Sc1
_cod_original_cell_volume        282.8145
_cod_original_formula_sum        'Cl3 Cs1 Sc1'
_cod_database_code               4343633
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
x,x-y,z
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
Cl1 Cl-1 0.1611 -0.1611 0.25 1 0.0
Sc1 Sc+2 0 0 0 1 0.0
Cs1 Cs+1 0.3333 0.6667 0.75 1 0.0
