data_global
_chemical_name_mineral 'Prosperite'
loop_
_publ_author_name
'Keller P'
'Riffel H'
'Hess H'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 158 
_journal_year 1982
_journal_page_first 33
_journal_page_last 42
_publ_section_title
;
 Die kristallstruktur von prosperit, Ca2Zn4[H2O|(AsO4)4]
;
_database_code_amcsd 0010846
_chemical_compound_source 'Tsumeb, Nambia'
_chemical_formula_sum 'Ca2 Zn4 As4 O17 H2'
_cell_length_a 19.2380
_cell_length_b 7.731
_cell_length_c 9.765
_cell_angle_alpha 90
_cell_angle_beta 104.47
_cell_angle_gamma 90
_cell_volume 1406.268
_exptl_crystal_density_diffrn      4.324
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca   0.09130   0.26380   0.39640   0.00709
Zn1   0.39570   0.41210   0.29180   0.01545
Zn2   0.28590   0.07160   0.01300   0.00722
As1   0.24350   0.24220   0.29520   0.00583
As2   0.43790   0.27760   0.01540   0.00671
O1   0.18760   0.39410   0.33110   0.00912
O2   0.41490   0.44300   0.10730   0.01343
O3   0.23130   0.21940   0.11990   0.00937
O4   0.39340   0.09490   0.02880   0.01305
O5   0.21740   0.05870   0.35940   0.01305
O6   0.07110   0.15250   0.15290   0.01343
O7   0.33020   0.28320   0.37490   0.01064
O8   0.47350   0.23820   0.41920   0.01330
Wat9   0.00000   0.45090   0.25000   0.01925
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 0.00703 0.01090 0.00498 -0.00365 0.00089 0.00185
Zn1 0.02461 0.01272 0.01268 -0.00875 0.01160 -0.00407
Zn2 0.00879 0.00696 0.00725 0.00073 0.00178 0.00037
As1 0.00527 0.00636 0.00634 0.00000 0.00178 0.00000
As2 0.00703 0.00696 0.00725 0.00000 0.00268 0.00074
O1 0.00527 0.01120 0.01223 0.00146 0.00178 -0.00555
O2 0.01758 0.01211 0.01087 0.00219 0.00803 -0.00111
O3 0.01406 0.01029 0.00679 0.00365 0.00446 0.00074
O4 0.00703 0.01029 0.02265 0.00000 0.00268 0.00704
O5 0.01406 0.01453 0.01404 0.00000 0.00357 0.00555
O6 0.02109 0.01120 0.00906 0.00073 0.00357 0.00259
O7 0.00527 0.01847 0.00861 -0.00292 -0.00089 0.00074
O8 0.00703 0.01423 0.01540 -0.00073 0.00357 0.00148
Wat9 0.01934 0.01393 0.01540 0.00000 -0.00357 0.00000