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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/1/54/22/1542241.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_1542241
loop_
_publ_author_name
'Ryan, R.R.'
'Swanson, B.L.'
_publ_section_title
;
 Phonon-driven phase changes in Cs2 Li Cr (C N)6
;
_journal_name_full
;
Physical Review, Serie 3. B - Solid State (1,1970-17,1977)
;
_journal_page_first              5320
_journal_page_last               5329
_journal_volume                  13
_journal_year                    1976
_chemical_formula_sum            'C6 Cr Cs2 Li N6'
_chemical_name_systematic        'Li Cs2 Cr (C N)6'
_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
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.6
_cell_length_b                   7.6
_cell_length_c                   10.778
_cell_volume                     622.537
_citation_journal_id_ASTM        PLRBAQ
_cod_data_source_file            Ryan_PLRBAQ_1976_753.cif
_cod_data_source_block           C6Cr1Cs2Li1N6
_cod_original_cell_volume        622.5372
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'C6 Cr1 Cs2 Li1 N6'
_cod_database_code               1542241
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
N3 N-3 -0.004 -0.004 0.2977 1 0.0
Cr1 Cr+3 0 0 0 1 0.0
C2 C+2 -0.212 0.163 -0.004 1 0.0
C3 C+2 -0.003 0 -0.1905 1 0.0
N1 N-3 0.264 0.33 0 1 0.0
Cs1 Cs+1 0.5 0.0085 0.2501 1 0.0
C1 C+2 0.175 0.207 -0.002 1 0.0
Li1 Li+1 0 0 0.5 1 0.0
N2 N-3 -0.325 0.265 -0.001 1 0.0
