#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/19/1531935.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_1531935
loop_
_publ_author_name
'Neeraj, S.'
'Noy, M.L.'
'Rao, C.N.R.'
'Cheetham, A.K.'
_publ_section_title
;
 Sodalite networks formed by metal squarates
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1231
_journal_page_last               1236
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'C4 H4 O6 Zn'
_chemical_name_systematic        'Zn (C4 O4) (H2 O)2'
_space_group_IT_number           222
_symmetry_space_group_name_Hall  '-P 4a 2bc 3'
_symmetry_space_group_name_H-M   'P n -3 n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            24
_cell_length_a                   16.256
_cell_length_b                   16.256
_cell_length_c                   16.256
_cell_volume                     4295.771
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Neeraj_SSSCFJ_2002_899.cif
_cod_data_source_block           C4H4O6Zn1
_cod_original_formula_sum        'C4 H4 O6 Zn1'
_cod_database_code               1531935
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,-y+1/2,-z+1/2
y,x,-z+1/2
-x+1/2,y,-z+1/2
-y+1/2,-x+1/2,-z+1/2
z,x,y
-x+1/2,z,y
-z+1/2,-x+1/2,y
x,-z+1/2,y
z,-x+1/2,-y+1/2
x,z,-y+1/2
-z+1/2,x,-y+1/2
-x+1/2,-z+1/2,-y+1/2
y,z,x
y,-z+1/2,-x+1/2
z,y,-x+1/2
-y+1/2,z,-x+1/2
-z+1/2,-y+1/2,-x+1/2
-y+1/2,-z+1/2,x
z,-y+1/2,x
-z+1/2,y,x
-x,-y,-z
y-1/2,-x,-z
x-1/2,y-1/2,-z
-y,x-1/2,-z
-x,y-1/2,z-1/2
-y,-x,z-1/2
x-1/2,-y,z-1/2
y-1/2,x-1/2,z-1/2
-z,-x,-y
x-1/2,-z,-y
z-1/2,x-1/2,-y
-x,z-1/2,-y
-z,x-1/2,y-1/2
-x,-z,y-1/2
z-1/2,-x,y-1/2
x-1/2,z-1/2,y-1/2
-y,-z,-x
-y,z-1/2,x-1/2
-z,-y,x-1/2
y-1/2,-z,x-1/2
z-1/2,y-1/2,x-1/2
y-1/2,z-1/2,-x
-z,y-1/2,-x
z-1/2,-y,-x
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 0.4615 0.537 0.3632 1 0.0
Zn1 Zn+2 0.4981 0.4981 0.25 1 0.0
C1 C+1 0.3092 0.4847 0.2271 1 0.0
O3 O-2 0.5039 0.619 0.1998 1 0.0
C2 C+1 0.5009 0.6906 0.2281 1 0.0
O2 O-2 0.3803 0.4871 0.1977 1 0.0
