data_9009708
_chemical_name 'Ferrarisite'
loop_
_publ_author_name
'Catti M'
'Chiari G'
'Ferraris G'
_journal_name_full "Bulletin de Mineralogie"
_journal_volume 103
_journal_year 1980
_journal_page_first 541
_journal_page_last 546
_publ_section_title
;
 The structure of ferrarisite, Ca5(HAsO4)2(AsO4)2*9H2O:
 disorder, hydrogen bonding, and polymorphism with guerinite
 Locality: Sainte Marie-aux-Mines, Alsace, France
;
_chemical_formula_sum 'Ca5 As4 O25 H18'
_cell_length_a 8.294
_cell_length_b 6.722
_cell_length_c 11.198
_cell_angle_alpha 106.16
_cell_angle_beta 92.94
_cell_angle_gamma 99.20
_cell_volume 588.904
_symmetry_space_group_name_H-M 'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_Uiso_or_equiv
Ca1   0.68248   0.61888   0.92486   1.00000 ?
Ca2   0.14429   0.80632   0.92317   1.00000 ?
Ca3   0.00000   0.00000   0.50000   1.00000 ?
As1   0.52429   0.05829   0.84251   1.00000 ?
As2   0.00723   0.26663   0.83694   1.00000 ?
O1   0.49770   0.29860   0.92070   1.00000 ?
O2   0.65620  -0.03600   0.91970   1.00000 ?
O3   0.34590  -0.11160   0.79340   1.00000 ?
O-h4   0.59640   0.06660   0.70060   1.00000 ?
O5   0.15010   0.44930   0.80800   1.00000 ?
O6   0.08470   0.15220   0.93890   1.00000 ?
O7  -0.14650   0.37210   0.90660   1.00000 ?
O8  -0.07250   0.07640   0.70290   1.00000 ?
Ow1   0.47470   0.53090   0.74430   1.00000 ?
Ow2   0.89290   0.71390   0.77240   1.00000 ?
Ow3   0.11050   0.36270   0.55520   1.00000 ?
Ow4   0.25540  -0.05310   0.57180   1.00000 ?
Wat5   0.69110   0.42880   0.56970   0.50000 ?
HOh4   0.69000   0.08100   0.71200   1.00000   0.03800
Hw1   0.38100   0.47100   0.77700   1.00000   0.03800
Hw21   0.90100   0.84300   0.74700   1.00000   0.03800
Hw22   0.87600   0.59600   0.70600   1.00000   0.03800
Hw31   0.21200   0.44700   0.51400   1.00000   0.03800
Hw32   0.13300   0.42900   0.64700   1.00000   0.03800
Hw4   0.25300  -0.06800   0.65700   1.00000   0.03800