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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009344.cif $
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#
# 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_9009344
_chemical_name 'Austinite'
loop_
_publ_author_name
'Giuseppetti G'
'Tadini C'
_journal_name_full "Neues Jahrbuch fur Mineralogie, Monatshefte"
_journal_volume 1988
_journal_year 1988
_journal_page_first 159
_journal_page_last 166
_publ_section_title
;
 The crystal structure of austinite, CaZn(AsO4)(OH), from Kamareza, Laurion (Gre
 Locality: Kamareza, Laurion, Greece
;
_chemical_formula_sum 'Ca Zn As O5 H'
_cell_length_a 7.505
_cell_length_b 9.037
_cell_length_c 5.921
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 401.578
_symmetry_space_group_name_H-M 'P 21 21 21'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Ca   0.36890   0.67200   0.52200   0.11145
Zn   0.76400   0.50650   0.75700   0.08663
As   0.37710   0.32320   0.48300   0.05839
O1   0.55200   0.44130   0.51000   0.03432
O2   0.20790   0.43700   0.41100   1.02626
O3   0.64840   0.73310   0.76900   0.06143
O4   0.60330   0.70940   0.24200   0.64605
O-h   0.89050   0.57270   0.49200   0.06041
H   0.99300   0.52300   0.50000   0.15198