#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/82/1508228.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_1508228
loop_
_publ_author_name
'Simmen, A.'
'McCusker, L.B.'
'Baerlocher, Ch.'
'Meier, W.M.'
_publ_section_title
;
 The structure determination and rietveld refinement of the
 aluminophosphate AIPO4-18
;
_journal_issue                   7
_journal_name_full               Zeolites
_journal_page_first              654
_journal_page_last               661
_journal_paper_doi               10.1016/S0144-2449(05)80167-8
_journal_volume                  11
_journal_year                    1991
_chemical_formula_structural     '[Al24P24O96]'
_chemical_formula_sum            'Al24 O96 P24'
_chemical_name_systematic        'AlPO-18, Calcined'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.01
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   13.7114
_cell_length_b                   12.7315
_cell_length_c                   18.5706
_cell_volume                     3241.808
_cod_data_source_file            AIPO-18.cif
_cod_data_source_block           AEI_chateigner
_cod_original_sg_symbol_Hall     '-C 2 y c'
_cod_original_formula_sum        'Al24 P24 O96'
_cod_database_code               1508228
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
2 '-x, y, 1/2-z'
3 '-x, -y, -z'
4 'x, -y, 1/2+z'
5 '1/2+x, 1/2+y, z'
6 '1/2-x, 1/2+y, 1/2-z'
7 '1/2-x, 1/2-y, -z'
8 '1/2+x, 1/2-y, 1/2+z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
_atom_site_occupancy
AL1 Al 0.88997 0.95872 0.16598 0.75 1.0
AL2 Al 0.88129 0.22661 0.93877 0.96 1.0
AL3 Al 0.22953 0.09687 0.04922 1.42 1.0
P1 P 0.77251 0.09559 0.05384 1.42 1.0
P2 P 0.10981 0.23135 0.93763 0.96 1.0
P3 P 0.11634 0.96983 0.16394 0.75 1.0
O1 O 0.17723 0.05318 0.12913 0.72 1.0
O2 O 0.14278 0.16702 0.00209 0.72 1.0
O3 O 0.00371 0.25884 0.94574 0.72 1.0
O4 O 0.84714 0.16747 0.02039 0.72 1.0
O5 O 0.81686 0.04552 0.12009 0.72 1.0
O6 O 0.01022 0.99732 0.15632 0.72 1.0
O7 O 0.13601 0.86260 0.13230 0.72 1.0
O8 O 0.33199 0.16953 0.06981 0.72 1.0
O9 O 0.85795 0.96546 0.25665 0.72 1.0
O10 O 0.81531 0.33988 0.92509 0.72 1.0
O11 O 0.12779 0.16274 0.87230 0.72 1.0
O12 O 0.26213 -0.01281 0.99849 0.72 1.0
