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#$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $
#$Revision: 255 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9008399.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_9008399
loop_
_publ_author_name
'Krogh Andersen E'
'Ploug-Sorensen G'
'Leonardsen E'
_publ_section_title
;
 The structure of acuminite, a strontium aluminium fluoride mineral
 Locality: Ivigtut, Greenland
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              221
_journal_page_last               227
_journal_volume                  194
_journal_year                    1991
_chemical_formula_sum            'Sr Al F4 O2 H3'
_chemical_name_mineral           Acuminite
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.61
_cell_angle_gamma                90
_cell_length_a                   13.223
_cell_length_b                   5.175
_cell_length_c                   14.251
_cell_volume                     906.639
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Sr 0.83050 0.82320 0.15860 0.01406
Al 0.40240 0.40200 0.42030 0.00785
F1 0.80420 0.03710 0.30680 0.01229
F2 0.66480 0.09770 0.09300 0.01520
F3 0.02360 0.79100 0.15770 0.01381
F4 0.81740 0.96010 -0.01540 0.01343
O-H1 0.48910 0.70630 0.45570 0.04002
Wat2 0.89860 0.32510 0.16170 0.09372