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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$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
_chemical_name 'Acuminite'
loop_
_publ_author_name
'Krogh Andersen E'
'Ploug-Sorensen G'
'Leonardsen E'
_journal_name_full "Zeitschrift fur Kristallographie"
_journal_volume 194
_journal_year 1991
_journal_page_first 221
_journal_page_last 227
_publ_section_title
;
 The structure of acuminite, a strontium aluminium fluoride mineral
 Locality: Ivigtut, Greenland
;
_chemical_formula_sum 'Sr Al F4 O2 H3'
_cell_length_a 13.223
_cell_length_b 5.175
_cell_length_c 14.251
_cell_angle_alpha 90
_cell_angle_beta 111.61
_cell_angle_gamma 90
_cell_volume 906.639
_symmetry_space_group_name_H-M 'C 1 2/c 1'
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_Uiso_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