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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/1/52/66/1526663.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_1526663
loop_
_publ_author_name
'Klap, G.J.'
'Graafsma, H.'
'van Koningsveld, H.'
'Schreurs, A.M.M.'
_publ_section_title
;
 Absolute configuration and domain structure of (Al P O4)-5 studied by
 single-crystal X-ray diffraction
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              403
_journal_page_last               412
_journal_volume                  38
_journal_year                    2000
_chemical_formula_sum            'Al O4 P'
_chemical_name_systematic        'Al (P O4)'
_space_group_IT_number           184
_symmetry_space_group_name_Hall  'P 6 -2c'
_symmetry_space_group_name_H-M   'P 6 c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            12
_cell_length_a                   13.718
_cell_length_b                   13.718
_cell_length_c                   8.4526
_cell_volume                     1377.535
_citation_journal_id_ASTM        MIMMFJ
_cod_data_source_file            Klap_MIMMFJ_2000_240.cif
_cod_data_source_block           Al1O4P1
_cod_original_formula_sum        'Al1 O4 P1'
_cod_database_code               1526663
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z
-y,x-y,z
-x,-y,z
-x+y,-x,z
y,-x+y,z
y,x,z+1/2
-x+y,y,z+1/2
-x,-x+y,z+1/2
-y,-x,z+1/2
x-y,-y,z+1/2
x,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
O11 O-2 0.368 0.367 0.033 0.3333 0.0
P1 P+5 0.4526 0.3296 0.05248 1 0.0
O8 O-2 0.573 0.411 0.001 0.3333 0.0
Al1 Al+3 0.4565 0.3359 0.4253 1 0.0
O7 O-2 0.38 0.364 -0.039 0.3333 0.0
O2 O-2 0.434 0.3 0.226 0.3333 0.0
O4 O-2 0.57 0.423 0.027 0.3333 0.0
O10 O-2 0.49 0.35 0.225 0.3333 0.0
O1 O-2 0.43 0.226 -0.041 0.3333 0.0
O3 O-2 0.353 0.348 0.007 0.3333 0.0
O6 O-2 0.436 0.345 0.225 0.3333 0.0
O5 O-2 0.421 0.208 0.03 0.3333 0.0
O12 O-2 0.558 0.406 -0.054 0.3333 0.0
O9 O-2 0.409 0.207 0.005 0.3333 0.0
