#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (mar 27 de ene de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/01/1010151.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_1010151
loop_
_publ_author_name
'Braekken, H'
_publ_section_title              'Die Kristallstruktur von Chromtribromid'
_journal_coden_ASTM              KNSFA2
_journal_name_full
;
Kongelige Norske Videnskapers Selskab, Forhandlinger
;
_journal_page_first              42
_journal_page_last               42
_journal_volume                  5
_journal_year                    1932
_chemical_formula_structural     'Cr Br3'
_chemical_formula_sum            'Br3 Cr'
_chemical_name_systematic        'Chromium bromide'
_space_group_IT_number           143
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      143
_symmetry_space_group_name_Hall  'P 3'
_symmetry_space_group_name_H-M   'P 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   6.26
_cell_length_b                   6.26
_cell_length_c                   18.2
_cell_volume                     617.7
_cod_database_code               1010151
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Cr1 Cr3+ 1 a 0. 0. 0. 1. 0 d
Cr2 Cr3+ 1 a 0. 0. 0.6667 1. 0 d
Cr3 Cr3+ 1 b 0.3333 0.6667 0.3333 1. 0 d
Cr4 Cr3+ 1 b 0.3333 0.6667 0. 1. 0 d
Cr5 Cr3+ 1 c 0.6667 0.3333 0.6667 1. 0 d
Cr6 Cr3+ 1 c 0.6667 0.3333 0.3333 1. 0 d
Br1 Br1- 3 d 0.3333 0.3333 -0.078 1. 0 d
Br2 Br1- 3 d 0.6667 0.6667 0.078 1. 0 d
Br3 Br1- 3 d 0.3333 0.3333 0.255 1. 0 d
Br4 Br1- 3 d 0.6667 0.6667 0.411 1. 0 d
Br5 Br1- 3 d 0.3333 0.3333 0.589 1. 0 d
Br6 Br1- 3 d 0.6667 0.6667 0.745 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Cr3+ 3.000
Br1- -1.000
