#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/12/1541221.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_1541221
loop_
_publ_author_name
'McCusker, L.B.'
'Baerlocher, C.'
'Jahn, E.'
'Buelow, M.'
_publ_section_title
;
 The triple helix inside the large-pore aluminophosphate molecular sieve
 VPI-5
;
_journal_name_full               Zeolites
_journal_page_first              308
_journal_page_last               313
_journal_volume                  11
_journal_year                    1991
_chemical_formula_sum            'Al H4.66 O6.33 P'
_chemical_name_systematic        'Al (P O4) (H2 O)2.33'
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   18.9752
_cell_length_b                   18.9752
_cell_length_c                   8.1044
_cell_volume                     2527.110
_citation_journal_id_ASTM        ZEOLD3
_cod_data_source_file            McCusker_ZEOLD3_1991_1422.cif
_cod_data_source_block           H4.66Al1O6.33P1
_cod_original_cell_volume        2527.111
_cod_original_formula_sum        'H4.66 Al1 O6.33 P1'
_cod_database_code               1541221
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+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
O17 O-2 0.193 0.045 0.434 1 0.0
O18 O-2 0.319 0.189 0.461 1 0.0
O4 O-2 0.43 0.111 0.255 1 0.0
O2 O-2 0.431 0.009 0.037 1 0.0
O14 O-2 0.29 0.002 0.16 1 0.0
Al3 Al+3 0.654 0.169 0.198 1 0.0
O7 O-2 0.512 -0.231 0.28 1 0.0
O8 O-2 0.378 -0.206 0.28 1 0.0
O13 O-2 0.339 0.005 0.465 1 0.0
O12 O-2 0.739 0.236 0.315 1 0.0
P3 P+5 0.507 0.185 0.309 1 0.0
O10 O-2 0.311 -0.168 0.5 1 0.0
O3 O-2 0.322 -0.112 0.223 1 0.0
O5 O-2 0.54 -0.074 0.264 1 0.0
O9 O-2 0.474 -0.175 -0.015 1 0.0
O11 O-2 0.575 0.195 0.198 1 0.0
P1 P+5 0.55 -0.001 0.358 1 0.0
P2 P+5 0.311 -0.185 0.32 1 0.0
Al2 Al+3 0.474 -0.173 0.204 1 0.0
Al1 Al+3 0.385 -0.001 0.239 1 0.0
O6 O-2 0.619 0.072 0.278 1 0.0
O16 O-2 0.248 0.055 -0.288 1 0.0
O19 O-2 0.1 0.053 0.466 1 0.0
O1 O-2 0.47 0.001 0.339 1 0.0
O15 O-2 0.314 0.13 -0.028 1 0.0
