data_global
_chemical_name_mineral 'Sainfeldite'
loop_
_publ_author_name
'Ferraris G'
'Abbona F'
_journal_name_full 'Bulletin de la Societe Francaise de Mineralogie et de Cristallographie'
_journal_volume 95 
_journal_year 1972
_journal_page_first 33
_journal_page_last 41
_publ_section_title
;
 The crystal structure of Ca5(HAsO4)2(AsO4)2*4H2O (Sainfeldite)
;
_database_code_amcsd 0012134
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ca5 As4 O20 H10'
_cell_length_a 18.781
_cell_length_b 9.820
_cell_length_c 10.191
_cell_angle_alpha 90
_cell_angle_beta 97.02
_cell_angle_gamma 90
_cell_volume 1865.431
_exptl_crystal_density_diffrn      2.956
_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
Ca1   0.50000   0.39531   0.75000 ?
Ca2   0.32106   0.08094   0.18553 ?
Ca3   0.32375   0.46774   0.14044 ?
As1   0.41471   0.31962   0.41581 ?
As2   0.65932   0.24002   0.62295 ?
O2   0.42500   0.43130   0.29700 ?
O3   0.33880   0.23240   0.36570 ?
O4   0.41280   0.39400   0.56350 ?
O5   0.66240   0.25830   0.45910 ?
O6   0.70290   0.09560   0.67400 ?
O7   0.70170   0.37470   0.70090 ?
O8   0.57260   0.23390   0.65230 ?
O-h1   0.48290   0.20070   0.43050 ?
Ow1   0.23830   0.41150   0.47250 ?
Ow2   0.57080   0.02070   0.83950 ?
H1   0.51500   0.23000   0.50000   0.03040
H2   0.25800   0.35800   0.43800   0.01773
H3   0.21200   0.35800   0.52000   0.02660
H4   0.56400   0.11000   0.78000   0.09119
H5   0.53200  -0.03000   0.82000   0.07092
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
Ca1 0.00899 0.01001 0.00899 0.00000 -0.00026 0.00000
Ca2 0.01204 0.00861 0.01228 -0.00076 0.00152 0.00114
Ca3 0.01039 0.00849 0.01267 -0.00089 0.00101 -0.00253
As1 0.00848 0.00810 0.00785 -0.00025 -0.00038 -0.00038
As2 0.00773 0.00494 0.00734 0.00063 0.00026 -0.00025
O2 0.01787 0.01583 0.01279 -0.00354 0.00164 0.00633
O3 0.01216 0.02065 0.01849 -0.00938 0.00026 -0.00532
O4 0.01672 0.01950 0.00570 0.00392 -0.00101 -0.00494
O5 0.01912 0.01216 0.00925 0.00013 0.00000 0.00013
O6 0.01443 0.00659 0.02052 0.00481 0.00481 0.00557
O7 0.01026 0.01279 0.02141 -0.00418 0.00190 -0.00684
O8 0.01077 0.01089 0.01748 -0.00063 0.00291 -0.00063
O-h1 0.02394 0.02242 0.02369 0.01406 -0.00520 -0.00544
Ow1 0.01950 0.00950 0.01684 0.00038 0.00469 0.00013
Ow2 0.02596 0.04990 0.05927 0.01558 0.01228 0.01026