#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/26/1532672.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_1532672
loop_
_publ_author_name
'Dalconi, M.C.'
'Alberti, A.'
'Cruciani, G.'
'Ciambelli, P.'
'Fonda, E.'
_publ_section_title
;
 Siting and coordination of cobalt in ferrierite: XRD and EXAFS studies at
 different Co loadings
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              191
_journal_page_last               200
_journal_volume                  62
_journal_year                    2003
_chemical_formula_sum            'Al3.81 Co1.34 H34.65 O88.76 Si32.19'
_chemical_name_systematic
'Co1.34 H1.13 (Al3.81 Si32.19 O72) (H2 O)16.76'
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   18.9903
_cell_length_b                   14.1161
_cell_length_c                   7.4621
_cell_volume                     2000.357
_citation_journal_id_ASTM        MIMMFJ
_cod_data_source_file            Dalconi_MIMMFJ_2003_505.cif
_cod_data_source_block           H34.65Al3.81Co1.34O88.76Si32.19
_cod_original_formula_sum        'H34.65 Al3.81 Co1.34 O88.76 Si32.19'
_cod_database_code               1532672
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
-x,-y,-z
x,y,-z
-x,y,z
x,-y,z
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
x+1/2,-y+1/2,z+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
Si3 Si+4 0.2735 0 0.296 0.8942 0.0
Co2 Co+2 0.457 0 0 0.07 0.0
Co1 Co+2 0 0 0.5 0.33 0.0
Al1 Al+3 0.1554 0 0 0.1058 0.0
O9 O-2 0 0 0.239 0.49 0.0
O1 O-2 0 0.2103 0 1 0.0
Al4 Al+3 0.3236 0.2008 0.2065 0.1058 0.0
Al3 Al+3 0.2735 0 0.296 0.1058 0.0
O3 O-2 0.0995 0.0884 0 1 0.0
Si1 Si+4 0.1554 0 0 0.8942 0.0
Al2 Al+3 0.0848 0.202 0 0.1058 0.0
Si2 Si+4 0.0848 0.202 0 0.8942 0.0
O6 O-2 0.1565 0.2803 0.5 1 0.0
O12 O-2 0 0.441 0.132 0.31 0.0
O4 O-2 0.2017 0 0.1834 1 0.0
O5 O-2 0.25 0.25 0.25 1 0.0
O11 O-2 0.033 0.163 0.5 0.38 0.0
O13 O-2 0 0.597 0.366 0.4 0.0
O8 O-2 0.3244 0.0891 0.2513 1 0.0
O14 O-2 0.045 0.5 0.235 0.27 0.0
O7 O-2 0.1121 0.2531 0.1832 1 0.0
O10 O-2 0.09 0.067 0.5 0.49 0.0
Co3 Co+2 0 0.291 0.5 0.1 0.0
O2 O-2 0.243 0 0.5 1 0.0
Si4 Si+4 0.3236 0.2008 0.2065 0.8942 0.0
