#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009364.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_9009364
_chemical_name 'Ahlfeldite'
loop_
_publ_author_name
'Wildner M'
_journal_name_full "Neues Jahrbuch fur Mineralogie, Monatshefte"
_journal_volume 1990
_journal_year 1990
_journal_page_first 353
_journal_page_last 362
_publ_section_title
;
 Crystal structure refinements of synthetic cobaltomenite (CoSeO3*2H2O)
 and ahlfeldite (NiSeO3*2H2O)
;
_chemical_formula_sum 'Ni Se O5 H4'
_cell_length_a 6.441
_cell_length_b 8.746
_cell_length_c 7.522
_cell_angle_alpha 90
_cell_angle_beta 99.00
_cell_angle_gamma 90
_cell_volume 418.520
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Ni   0.35246   0.63816   0.51806   0.01920
Se   0.60100   0.15084   0.83718   0.01790
O1   0.67040   0.32570   0.76500   0.02230
O2   0.67180   0.59170   0.53280   0.01940
O3   0.45840   0.19740   0.99920   0.02390
Ow1   0.38310   0.56660   0.79110   0.02560
Ow2   0.42100   0.85920   0.57750   0.02690
H11   0.48100   0.50200   0.78900   0.02350
H12   0.40000   0.64800   0.89700   0.02350
H21   0.34900   0.89800   0.65200   0.02350
H22   0.56800   0.87700   0.62000   0.02350