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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/1/53/32/1533231.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_1533231
loop_
_publ_author_name
'Nery, J.G.'
'Mascarenhas, Y.P.'
'Cheetham, A.K.'
_publ_section_title
;
 A study of the highly crystalline, low-silica, fully hydrated zeolite P
 ion exchanged with (Mn(2+), Cd(2+), Pb(2+), Sr(2+), Ba(2+)) cations
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              229
_journal_page_last               248
_journal_volume                  57
_journal_year                    2003
_chemical_formula_sum            'Al8 H32 Mn3.92 O48 Si8'
_chemical_name_systematic        'Mn3.92 (Al8 Si8 O32) (H2 O)16'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.24
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   10.0034
_cell_length_b                   10.6181
_cell_length_c                   9.6662
_cell_volume                     1025.075
_citation_journal_id_ASTM        MIMMFJ
_cod_data_source_file            Nery_MIMMFJ_2003_490.cif
_cod_data_source_block           H32Al8Mn3.92O48Si8
_cod_original_formula_sum        'H32 Al8 Mn3.92 O48 Si8'
_cod_database_code               1533231
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
Si2 Si+4 0.9143 0.8711 0.1658 1 0.0
O1 O-2 0.087 0.1551 0.9989 1 0.0
O10 O-2 0.6014 0.1411 0.5328 1 0.0
Al2 Al+3 0.5947 0.8822 0.157 1 0.0
O4 O-2 0.2381 0.4049 0.2968 1 0.0
Mn1 Mn+2 0.7228 0.057 0.3679 0.98 0.0
O7 O-2 0.468 0.2465 0.2724 1 0.0
Al1 Al+3 0.104 0.1121 0.1694 1 0.0
O11 O-2 0.9102 0.1156 0.4991 1 0.0
O8 O-2 0.5231 0.0094 0.2356 1 0.0
O2 O-2 0.2687 0.0819 0.2177 1 0.0
O9 O-2 0.2679 0.1068 0.4897 1 0.0
Si1 Si+4 0.4202 0.1217 0.1848 1 0.0
O3 O-2 0.4304 0.1381 0.0185 1 0.0
O12 O-2 0.771 0.2233 0.2509 1 0.0
O5 O-2 0.0145 0.9826 0.2191 1 0.0
O6 O-2 0.043 0.2404 0.2559 1 0.0
