#------------------------------------------------------------------------------
#$Date: 2015-07-10 15:35:49 +0300 (Fri, 10 Jul 2015) $
#$Revision: 142403 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/21/1522183.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_1522183
loop_
_publ_author_name
'Wilson, S.T.'
'Broach, R.W.'
'Bateman, C.A.'
'Blackwell, C.S.'
'McGuire, N.K.'
'Kirchner, R.M.'
_publ_section_title
;
 Synthesis, characterization and structure of SAPO-56, a member of the ABC
 double-six-ring family of materials with stacking sequence AABBCCBB
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              125
_journal_page_last               137
_journal_volume                  28
_journal_year                    1999
_chemical_formula_sum            'Al24 O96 P24'
_chemical_name_systematic        'Al24 (P O4)24'
_space_group_IT_number           163
_symmetry_space_group_name_Hall  '-P 3 2c'
_symmetry_space_group_name_H-M   'P -3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   13.7571
_cell_length_b                   13.7571
_cell_length_c                   19.93619
_cell_volume                     3267.583
_citation_journal_id_ASTM        MIMMFJ
_cod_data_source_file            Wilson_MIMMFJ_1999_462.cif
_cod_data_source_block           Al24O96P24
_cod_database_code               1522183
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,-z+1/2
x,x-y,-z+1/2
-x+y,y,-z+1/2
-x,-y,-z
y,-x+y,-z
x-y,x,-z
y,x,z-1/2
-x,-x+y,z-1/2
x-y,-y,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
O4 O-2 0.0181 0.2844 -0.0011 1 0.0
O6 O-2 0.0935 0.5395 0.1481 1 0.0
P1 P+5 0.1059 0.4444 0.1731 1 0.0
O8 O-2 0.3059 0.3255 0.1259 1 0.0
Al2 Al+3 0.3325 0.4374 0.1672 1 0.0
O7 O-2 0.0734 0.4033 0.2404 1 0.0
Al1 Al+3 -0.0022 0.2295 0.0791 1 0.0
O5 O-2 0.214 0.4683 0.1605 1 0.0
P2 P+5 0.2299 0.2253 0.0755 1 0.0
O3 O-2 0.019 0.3495 0.119 1 0.0
O2 O-2 0.1098 0.1961 0.0895 1 0.0
O1 O-2 0.868 0.1106 0.099 1 0.0
