#------------------------------------------------------------------------------
#$Date: 2011-09-17 23:27:16 +0300 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2100941.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2100941
loop_
_publ_author_name
'Helliwell, M.'
'Kaucic, V.'
'Cheetham, G. M. T.'
'Harding, M. M.'
'Kariuki, B. M.'
'Rizkallah, P. J.'
_publ_section_title
;
 Structure determination from small crystals of two aluminophosphates
 CrAPO-14 and SAPO-43
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              413
_journal_page_last               420
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C3 H10 Al2 N O8 P2'
_[local]_cod_chemical_formula_sum_orig 'C3 H10 Al2 N1 O8 P2'
_chemical_formula_weight         304.02
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d {origin @ -1 @ d d d}'
_cell_formula_units_Z            8
_cell_length_a                   14.052(5)
_cell_length_b                   14.360(5)
_cell_length_c                   10.012(3)
_cell_volume                     2020.3
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.895(5)
_exptl_absorpt_coefficient_mu    1.12
_exptl_crystal_density_diffrn    1.96
_exptl_crystal_F_000             620
_[local]_cod_data_source_file    al0541.cif
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
P(1) .46690(10) .125 .125 .0071(8)
Al(1) .625 .2766(2) .125 .0048(8)
O(1) .5292(3) .2076(3) .0819(4) .018(2)
O(2) .4027(3) .0975(3) .0077(4) .020(2)
N(1) .707(2) .038(2) -.336(3) .070(10)
C(1) .595(2) .147(3) -.255(3) .140(10)
C(2) .625 .092(3) -.375 .13(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
P(1) O(1) 1.546(4)
P(1) O(2) 1.546(4)
Al(1) O(1) 1.733(4)
Al(1) O(2) 1.728(4)
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
Al(1) O(1) P(1) 145.1(3)
Al(1) O(2) P(1) 151.1(3)
_cod_database_code 2100941