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#$Date: 2009-04-13 18:13:02 +0300 (Mon, 13 Apr 2009) $
#$Revision: 618 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1100107.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_1100107
_chemical_name_mineral AlPO4-15
loop_
_publ_author_name
'Aubert E'
'Porcher F'
'Souhassou M'
'Lecomte C'
_journal_name_full "Acta Crystallographica"
_journal_volume B59
_journal_year 2003
_journal_page_first 687
_journal_page_last 700
_publ_section_title
;
 Characterization of the intra-framework and guest/host interactions
 in the AlPO4-15 molecular sieve by charge-density analysis
;
_cell_length_a   9.55600
_cell_length_b   9.56300
_cell_length_c   9.61500
_cell_angle_alpha  90.00000
_cell_angle_beta 103.58000
_cell_angle_gamma  90.00000
_symmetry_space_group_name_H-M P2_1/n
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
P1   0.30112   0.53295   0.15134   0.00286
P2   0.79455   0.80891   0.13625   0.00280
Al1   0.61377   0.53762   0.12775   0.00313
Al2   0.39303   0.22976   0.18478   0.00327
O1   0.45676   0.58656   0.20305   0.00426
O2   0.19288   0.62927   0.19356   0.00485
O3   0.26278   0.52050  -0.01400   0.00426
O4   0.28927   0.38662   0.21529   0.00429
O5   0.95422   0.76935   0.16548   0.00485
O6   0.77919   0.95029   0.20925   0.00437
O7   0.70821   0.69936   0.19652   0.00483
O8   0.73961   0.82479  -0.02469   0.00476
O9   0.49666   0.36443   0.05453   0.00439
O10   0.50018   0.06728   0.14699   0.00683
O11   0.31887   0.85681   0.03809   0.00893
N   0.98742   0.30853   0.10266   0.00779
H1   0.56080   0.29840   0.02060   0.00840
H2   0.44490  -0.00980   0.09920   0.01300
H3   0.59610   0.03630   0.18890   0.01300
H4   0.26680   0.85870   0.11180   0.01500
H5   0.26500   0.90900  -0.04090   0.01450
H6   0.99880   0.27800   0.00660   0.01300
H7   0.89750   0.36520   0.08980   0.01440
H8   0.99100   0.22610   0.16710   0.01300
H9   0.07560   0.36340   0.14660   0.01300