data_9007511
_chemical_name 'Weilite'
loop_
_publ_author_name
'Ferraris G'
'Chiari G'
_journal_name_full "Acta Crystallographica, Section B"
_journal_volume 26
_journal_year 1970
_journal_page_first 403
_journal_page_last 409
_publ_section_title
;
 The crystal structure of CaHAsO4 (weilite)
 Locality: synthetic
;
_chemical_formula_sum 'Ca2 As2 O8 H3'
_cell_length_a 7.0591
_cell_length_b 6.8906
_cell_length_c 7.2006
_cell_angle_alpha 97.43
_cell_angle_beta 103.55
_cell_angle_gamma 87.75
_cell_volume 337.625
_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
Ca1   0.30240   0.43230   0.27960   1.00000
Ca2   0.17240   0.83390   0.66060   1.00000
As1   0.20480   0.37760   0.72430   1.00000
As2   0.29780   0.94140   0.20870   1.00000
O2   0.35650   0.49760   0.62740   1.00000
O3   0.13610   0.16560   0.58930   1.00000
O4   0.02350   0.53840   0.74100   1.00000
O5   0.33660   0.82600   0.00030   1.00000
O6   0.46500   0.11320   0.30360   0.50000
O-H6   0.46500   0.11320   0.30360   0.50000
O7   0.08190   0.06510   0.16010   0.50000
O-H7   0.08190   0.06510   0.16010   0.50000
O8   0.28780   0.77570   0.35370   1.00000
O-H1   0.32190   0.33630   0.95310   1.00000