#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/90/1539085.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_1539085
loop_
_publ_author_name
'Shachar, G.'
'Makovsky, J.'
'Shaked, H.'
_publ_section_title
;
 Neutron diffraction and magnetic measurements of polycrystalline N H4 Mn
 Cl3
;
_journal_name_full               'Solid State Communications'
_journal_page_first              493
_journal_page_last               495
_journal_volume                  9
_journal_year                    1971
_chemical_formula_sum            'Cl3 H4 Mn N'
_chemical_name_systematic        '(N H4) (Mn Cl3)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.05
_cell_length_b                   7.05
_cell_length_c                   10.23
_cell_volume                     508.457
_citation_journal_id_ASTM        SSCOA4
_cod_data_source_file            Shachar_SSCOA4_1971_1081.cif
_cod_data_source_block           H4Cl3Mn1N1
_cod_original_cell_volume        508.4566
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'H4 Cl3 Mn1 N1'
_cod_database_code               1539085
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
x,y,-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
Cl1 Cl-1 0.04 0.5 0.25 1 0.0
N1 N-3 0 0 0.25 1 0.0
Mn1 Mn+2 0.5 0 0 1 0.0
Cl2 Cl-1 0.29 0.29 0 1 0.0
