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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/1/53/08/1530888.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_1530888
loop_
_publ_author_name
'Torardi, C.C.'
'Zhang, J.-H.'
'Reiff, W.M.'
'Lazar, K.'
'Cox, D.E.'
_publ_section_title
;
 Further aspects of the structure and magnetism of the layered compound Fe
 Cl Mo O4; Moessbauer spectroscopy, susceptibility and powder neutron
 diffraction studies
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              105
_journal_page_last               115
_journal_volume                  66
_journal_year                    1987
_chemical_formula_sum            'Cl Fe Mo O4'
_chemical_name_systematic        'Fe Cl Mo O4'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.6849
_cell_length_b                   6.6849
_cell_length_c                   5.0887
_cell_volume                     227.403
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Torardi_JSSCBI_1987_1373.cif
_cod_data_source_block           Cl1Fe1Mo1O4
_cod_original_cell_volume        227.4032
_cod_original_formula_sum        'Cl1 Fe1 Mo1 O4'
_cod_database_code               1530888
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x,z
-x+1/2,-y+1/2,z
y,-x+1/2,z
x+1/2,-y,-z
y+1/2,x+1/2,-z
-x,y+1/2,-z
-y,-x,-z
-x,-y,-z
y-1/2,-x,-z
x-1/2,y-1/2,-z
-y,x-1/2,-z
-x-1/2,y,z
-y-1/2,-x-1/2,z
x,-y-1/2,z
y,x,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
Mo1 Mo+6 0.75 0.25 0 1 0.0
O1 O-2 0.25 0.9608 0.2067 1 0.0
Cl1 Cl-1 0.25 0.25 0.7091 1 0.0
Fe1 Fe+3 0.25 0.25 0.2704 1 0.0
