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#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009344.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_9009344
loop_
_publ_author_name
'Giuseppetti G'
'Tadini C'
_publ_section_title
;
 The crystal structure of austinite, CaZn(AsO4)(OH), from Kamareza, Laurion (Greece)
 Locality: Kamareza, Laurion, Greece
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              159
_journal_page_last               166
_journal_volume                  1988
_journal_year                    1988
_chemical_formula_sum            'As Ca H O5 Zn'
_[local]_cod_chemical_formula_sum_orig 'Ca Zn As O5 H'
_chemical_name_mineral           Austinite
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.505
_cell_length_b                   9.037
_cell_length_c                   5.921
_cell_volume                     401.578
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_U_iso_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
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ca 0.01256 0.00703 0.01083 0.00137 0.00135 0.00163
Zn 0.01341 0.01200 0.00639 -0.00103 0.00090 0.00163
As 0.00885 0.00745 0.00675 -0.00069 0.00023 -0.00081
O1 0.01027 0.01034 0.00657 -0.00378 -0.00068 0.00108
O2 0.01027 0.01324 0.01545 0.00687 -0.00158 0.00271
O3 0.01341 0.00993 0.00888 0.00309 0.00135 0.00027
O4 0.01626 0.01076 0.01137 0.00447 0.00045 0.00325
Oh 0.01313 0.00621 0.00959 -0.00034 0.00023 0.00271
_cod_database_code 9009344