#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/68/2106843.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106843
loop_
_publ_author_name
'Besrest, F.'
'Jaulmes, S.'
_publ_section_title
;
 Structure cristalline de l'iodure de chrome: Cr I2
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1560
_journal_page_last               1563
_journal_volume                  29
_journal_year                    1973
_chemical_formula_sum            'Cr I2'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.915
_cell_length_b                   7.56
_cell_length_c                   13.553
_cell_volume                     401.134
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Besrest_ACBCAR_1973_1016.cif
_cod_data_source_block           Cr1I2
_cod_original_cell_volume        401.1336
_cod_original_formula_sum        'Cr1 I2'
_cod_database_code               2106843
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x,y,z
x,-y,z+1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,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
I2 I-1 0.5 0.03 0.259 1 0.0
I1 I-1 0 0.207 0 1 0.0
Cr1 Cr+2 0.5 0.164 0.38 1 0.0
