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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/90/1529098.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_1529098
loop_
_publ_author_name
'Audebrand, N.'
'Jeanneau, E.'
'Bataille, T.'
'Raite, S.'
'Louer, D.'
_publ_section_title
;
 A family of microporous mixed oxalates with isotypic-framework structures
 based on eight-coordinate metals
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              579
_journal_page_last               591
_journal_volume                  6
_journal_year                    2004
_chemical_formula_sum            'C4 H8 O12 Rb Y'
_chemical_name_systematic        'Y Rb (C2 O4)2 (H2 O)4'
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.4569
_cell_length_b                   11.4569
_cell_length_c                   9.1502
_cell_volume                     1201.060
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Audebrand_SSSCFJ_2004_87.cif
_cod_data_source_block           C4H8O12Rb1Y1
_cod_original_cell_volume        1201.06
_cod_original_formula_sum        'C4 H8 O12 Rb1 Y1'
_cod_database_code               1529098
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+3/4,x+1/4,z+1/4
-x+1/2,-y,z+1/2
y+3/4,-x+3/4,z+3/4
-x,-y,-z
y-3/4,-x-1/4,-z-1/4
x-1/2,y,-z-1/2
-y-3/4,x-3/4,-z-3/4
x+1/2,y+1/2,z+1/2
-y+5/4,x+3/4,z+3/4
-x+1,-y+1/2,z+1
y+5/4,-x+5/4,z+5/4
-x+1/2,-y+1/2,-z+1/2
y-1/4,-x+1/4,-z+1/4
x,y+1/2,-z
-y-1/4,x-1/4,-z-1/4
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
O3 O-2 0.1519 0.4599 0.0807 1 0.0
Rb1 Rb+1 0 0.25 0.125 1 0.0
O1 O -0.013 0.13 0.4035 1 0.0
O2 O -0.09 -0.047 0.3148 1 0.0
Y1 Y+3 0 0.25 0.625 1 0.0
C1 C 0.005 0.021 0.415 1 0.0
