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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/08/2310807.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_2310807
loop_
_publ_author_name
'Schneider, W.'
'Weitzel, H.'
_publ_section_title
;
 Bestimmung der Magnetischen Phasen von Eisen(II)-chlorid-doppelhydrat, Fe
 Cl2 (H2 0)2, und Kobalt(II)-chlorid-doppelhydrat, Co Cl2 (H2 O)2, mit
 Neutronenbeugung
;
_journal_name_full               'Acta Crystallographica A (24,1968-38,1982)'
_journal_page_first              32
_journal_page_last               37
_journal_volume                  32
_journal_year                    1976
_chemical_formula_sum            'Cl2 Fe H4 O2'
_chemical_name_systematic        'Fe Cl2 (H2 O)2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.2
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.25
_cell_length_b                   8.4
_cell_length_c                   3.6
_cell_volume                     216.999
_citation_journal_id_ASTM        ACACBN
_cod_data_source_file            Schneider_ACACBN_1976_450.cif
_cod_data_source_block           H4Cl2Fe1O2
_cod_original_cell_volume        216.9985
_cod_original_formula_sum        'H4 Cl2 Fe1 O2'
_cod_database_code               2310807
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-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
O1 O-2 0 0.2419 0 1 0.0
Fe1 Fe+2 0 0 0 1 0.0
H1 H+1 0.0785 0.3081 0.1442 1 0.0
Cl1 Cl-1 0.2381 0 0.5604 1 0.0
