data_9007738
_chemical_name 'CoSiF6.6D2O'
loop_
_publ_author_name
'Chevrier G'
'Saint-James R'
_journal_name_full "Acta Crystallographica, Section C"
_journal_volume 46
_journal_year 1990
_journal_page_first 186
_journal_page_last 189
_publ_section_title
;
 Structure investigation by neutron diffraction of deuterated
 cobalt fluosilicate hexahydrate
;
_chemical_formula_sum 'Co Si F6 O6 D12'
_cell_length_a 9.369
_cell_length_b 9.369
_cell_length_c 9.731
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 739.732
_symmetry_space_group_name_H-M 'R -3'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-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
Co   0.00000   0.00000   0.00000   1.00000   0.01750
Si   0.00000   0.00000   0.50000   1.00000   0.01610
F1   0.15530   0.13140   0.40090   0.43000   0.04780
F2   0.16720   0.06500   0.39970   0.57000   0.03430
O   0.17470   0.18610   0.12500   1.00000   0.03390
D1   0.17850   0.16540   0.21940   1.00000   0.05660
D2   0.20530   0.29810   0.11290   1.00000   0.04800