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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/49/1524914.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_1524914
loop_
_publ_author_name
'McPherson, G.L.'
'Kistenmacher, T.J.'
'Folkers, J.B.'
'Stucky, G.D.'
_publ_section_title
;
 Effect of exchange coupling on the spectra of transition metal ions. The
 ligand field spectrum and crystal structure of Cs Cr Cl3
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              3771
_journal_page_last               3780
_journal_volume                  57
_journal_year                    1972
_chemical_formula_sum            'Cl3 Cr Cs'
_chemical_name_systematic        'Cs Cr Cl3'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   7.256
_cell_length_b                   7.256
_cell_length_c                   6.224
_cell_volume                     283.788
_citation_journal_id_ASTM        JCPSA6
_cod_data_source_file            McPherson_JCPSA6_1972_691.cif
_cod_data_source_block           Cl3Cr1Cs1
_cod_original_cell_volume        283.7885
_cod_original_formula_sum        'Cl3 Cr1 Cs1'
_cod_database_code               1524914
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
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
Cs1 Cs+1 0.3333 0.6667 0.75 1 0.0
Cr1 Cr+2 0 0 0.0014 1 0.0
Cl1 Cl-1 0.1572 -0.1572 0.2772 1 0.0
