data_global
_chemical_name_mineral '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 (Greece)
;
_database_code_amcsd 0014822
_chemical_compound_source '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
_exptl_crystal_density_diffrn      4.324
_symmetry_space_group_name_H-M 'P 21 21 21'
loop_
_space_group_symop_operation_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
O-h 0.01313 0.00621 0.00959 -0.00034 0.00023 0.00271