#------------------------------------------------------------------------------
#$Date: 2016-09-16 18:09:56 +0300 (Fri, 16 Sep 2016) $
#$Revision: 186594 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/39/1523980.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_1523980
loop_
_publ_author_name
'Amit, M.'
'Horowitz, A.'
'Ron, E.'
'Makovsky, J.'
_publ_section_title
;
 Preparation and crystal structures of some compounds of the A3 B X5 type
 (A= Cs, Tl, NH4, B= Mn, Fe, Co, X= Cl, Br)
;
_journal_name_full               'Israel Journal of Chemistry'
_journal_page_first              749
_journal_page_last               763
_journal_volume                  11
_journal_year                    1973
_chemical_formula_sum            'Cl5 Co H12 N3'
_chemical_name_systematic        '(N H4)3 Co Cl5'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.714
_cell_length_b                   9.914
_cell_length_c                   12.669
_cell_volume                     1094.482
_citation_journal_id_ASTM        ISJCAT
_cod_data_source_file            Amit_ISJCAT_1973_590.cif
_cod_data_source_block           H12Cl5Co1N3
_cod_original_formula_sum        'H12 Cl5 Co1 N3'
_cod_database_code               1523980
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,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
_atom_site_attached_hydrogens
Cl2 Cl-1 0.03 0.25 0.48 1 0.0 0
Cl4 Cl-1 0.19 0.06 0.06 1 0.0 0
Cl3 Cl-1 0.16 0.25 0.77 1 0.0 0
Cl1 Cl-1 0.38 0.25 0.28 1 0.0 0
N2 N-3 0.41 0 0.82 1 0.0 4
Co1 Co+2 0.31 0.25 0.11 1 0.0 0
N1 N-3 0.42 0.25 0.54 1 0.0 4
