#------------------------------------------------------------------------------
#$Date: 2016-01-03 13:09:57 +0100 (dom 03 de ene de 2016) $
#$Revision: 173296 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/17/1541798.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_1541798
loop_
_publ_author_name
'Pauling, L.'
'Marsh, R.E.'
_publ_section_title
;
 The Structure of Chlorine Hydrate
;
_journal_name_full
'Proceedings of the National Academy of Sciences, U.S.A.'
_journal_page_first              112
_journal_page_last               118
_journal_volume                  38
_journal_year                    1952
_chemical_formula_sum            O7.66667
_chemical_name_systematic        'Cl2 (H2 O)7.667'
_space_group_IT_number           223
_symmetry_space_group_name_Hall  '-P 4n 2 3'
_symmetry_space_group_name_H-M   'P m -3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   11.82
_cell_length_b                   11.82
_cell_length_c                   11.82
_cell_volume                     1651.401
_citation_journal_id_ASTM        PNASA6
_cod_data_source_file            Pauling_PNASA6_1952_1290.cif
_cod_data_source_block           O7.66667
_cod_original_cell_volume        1651.4
_cod_database_code               1541798
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+1/2
-x,-y,z
y+1/2,-x+1/2,z+1/2
x,-y,-z
y+1/2,x+1/2,-z+1/2
-x,y,-z
-y+1/2,-x+1/2,-z+1/2
z,x,y
-x+1/2,z+1/2,y+1/2
-z,-x,y
x+1/2,-z+1/2,y+1/2
z,-x,-y
x+1/2,z+1/2,-y+1/2
-z,x,-y
-x+1/2,-z+1/2,-y+1/2
y,z,x
y,-z,-x
z+1/2,y+1/2,-x+1/2
-y,z,-x
-z+1/2,-y+1/2,-x+1/2
-y,-z,x
z+1/2,-y+1/2,x+1/2
-z+1/2,y+1/2,x+1/2
-x,-y,-z
y-1/2,-x-1/2,-z-1/2
x,y,-z
-y-1/2,x-1/2,-z-1/2
-x,y,z
-y-1/2,-x-1/2,z-1/2
x,-y,z
y-1/2,x-1/2,z-1/2
-z,-x,-y
x-1/2,-z-1/2,-y-1/2
z,x,-y
-x-1/2,z-1/2,-y-1/2
-z,x,y
-x-1/2,-z-1/2,y-1/2
z,-x,y
x-1/2,z-1/2,y-1/2
-y,-z,-x
-y,z,x
-z-1/2,-y-1/2,x-1/2
y,-z,x
z-1/2,y-1/2,x-1/2
y,z,-x
-z-1/2,y-1/2,-x-1/2
z-1/2,-y-1/2,-x-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
O1 O-2 0.25 0 0.5 1 0.0
O2 O-2 0.183 0.183 0.183 1 0.0
O3 O-2 0 0.31 0.116 1 0.0
