#------------------------------------------------------------------------------
#$Date: 2016-12-12 15:02:45 +0100 (lun 12 de dic de 2016) $
#$Revision: 189075 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/48/4124870.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_4124870
loop_
_publ_author_name
'Klug, H. P.'
'Kummer, E.'
'Alexander, L.'
_publ_section_title
;
 The Crystal Structure of Ammonium Pentachloroindate Monohydrate
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3064
_journal_page_last               3068
_journal_volume                  70
_journal_year                    1948
_chemical_formula_sum            'Cl5 H10 In N2 O'
_chemical_name_systematic        '(N H4)2 In Cl5 H2 O'
_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                   14.1
_cell_length_b                   10.17
_cell_length_c                   7.16
_cell_volume                     1026.723
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Klug_JACSAT_1948_1003.cif
_cod_data_source_block           H10Cl5In1N2O1
_cod_original_formula_sum        'H10 Cl5 In1 N2 O1'
_cod_database_code               4124870
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
In1 In+3 0.11 0.25 0.313 1 0.0 0
Cl2 Cl-1 0.262 0.25 0.08 1 0.0 0
Cl1 Cl-1 0 0.25 0.035 1 0.0 0
Cl3 Cl-1 0.234 0.25 0.581 1 0.0 0
Cl4 Cl-1 0.116 0 0.316 1 0.0 0
O1 O-2 0 0.25 0.538 1 0.0 2
N1 N-3 0.366 0 0.349 1 0.0 4
