data_global
_chemical_name_mineral 'Austinite'
loop_
_publ_author_name
'Clark L A'
'Pluth J J'
'Steele I M'
'Smith J V'
'Sutton S R'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 61 
_journal_year 1997
_journal_page_first 677
_journal_page_last 683
_publ_section_title
;
 Crystal structure of austinite, CaZn(AsO4)OH
;
_database_code_amcsd 0014530
_chemical_compound_source 'Sonora, Mexico'
_chemical_formula_sum 'As Zn Ca O5 H'
_cell_length_a 7.5092
_cell_length_b 9.0438
_cell_length_c 5.9343
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 403.008
_exptl_crystal_density_diffrn      4.308
_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
As   0.62285   0.67699   0.51670   0.00593
Zn   0.23594   0.49358   0.24316   0.00964
Ca   0.63121   0.32805   0.47712   0.00977
O1   0.44750   0.55870   0.49000   0.00105
O2   0.79140   0.56330   0.58820   0.00140
O3   0.35000   0.26780   0.23090   0.00107
O4   0.39700   0.29030   0.75850   0.00119
O5   0.10850   0.42690   0.50870   0.00880
H   0.01400   0.47300   0.51300   0.02700
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
As 0.00616 0.00612 0.00552 -0.00080 -0.00004 0.00014
Zn 0.01100 0.01160 0.00630 -0.00114 0.00099 0.00167
Ca 0.01040 0.00760 0.01140 0.00070 0.00110 0.00050
O1 0.01100 0.01080 0.00980 -0.00370 0.00030 0.00040
O2 0.01030 0.01470 0.01710 0.00260 -0.00250 0.00070
O3 0.01210 0.01160 0.00830 0.00260 0.00100 -0.00130
O4 0.01390 0.01250 0.00930 0.00260 0.00190 0.00280
O5 0.00890 0.00960 0.00780 0.00010 -0.00010 0.00110