#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9005267.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_9005267
_chemical_name 'Reppiaite'
loop_
_publ_author_name
'Barbier J'
_journal_name_full "European Journal of Mineralogy"
_journal_volume 8
_journal_year 1996
_journal_page_first 77
_journal_page_last 84
_publ_section_title
;
 Crystal structure of Ni5(AsO4)2(OH)4 and its comparison to other
 M5(XO4)2(OH)4 compounds
;
_chemical_formula_sum 'Ni5 As2 O12 H4'
_cell_length_a 9.291
_cell_length_b 9.008
_cell_length_c 5.149
_cell_angle_alpha 90
_cell_angle_beta 98.70
_cell_angle_gamma 90
_cell_volume 425.979
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-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_Uiso_or_equiv
Ni1   0.50000   0.31952   0.00000   0.00603
Ni2   0.50000   0.15535   0.50000   0.00584
Ni3   0.00000   0.00000   0.50000   0.00623
As   0.68716   0.00000   0.05532   0.00465
O1   0.36900   0.15210   0.12520   0.00780
O2   0.87360   0.00000   0.11390   0.00670
O3   0.63050   0.00000   0.35320   0.00700
O-H4   0.39570   0.32720  -0.36280   0.00640