#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/9/9007677.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9007677
_chemical_name 'Aerugite'
loop_
_publ_author_name
'Fleet M E'
'Barbier J'
_journal_name_full "Acta Crystallographica, Section B"
_journal_volume 45
_journal_year 1989
_journal_page_first 201
_journal_page_last 205
_publ_section_title
;
 Structure of aerugite (Ni8.5As3O16) and interrelated
 arsenate and germanate structural series
;
_chemical_formula_sum 'Ni8.499 As3 O16'
_cell_length_a 9.8105
_cell_length_b 9.8105
_cell_length_c 9.8105
_cell_angle_alpha 35.312
_cell_angle_beta 35.312
_cell_angle_gamma 35.312
_cell_volume 281.837
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-z,-y'
  '-z,-x,-y'
  'y,x,z'
  'y,z,x'
  '-z,-y,-x'
  '-x,-y,-z'
  'x,z,y'
  'z,x,y'
  '-y,-x,-z'
  '-y,-z,-x'
  'z,y,x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_Uiso_or_equiv
Ni1   0.00000   0.50000   0.50000   0.83300   0.00578
Ni2   0.75281   0.25478   0.25478   1.00000   0.00400
As1   0.00000   0.00000   0.00000   1.00000   0.00299
As2   0.19203   0.19203   0.19203   1.00000   0.00266
O1   0.12956   0.12956   0.12956   1.00000   0.00458
O2   0.37881   0.37881   0.37881   1.00000   0.00864
O3   0.67168   0.10604   0.10604   1.00000   0.00692
O4   0.10195   0.63450   0.63450   1.00000   0.00645