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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001785.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_9001785
_chemical_name 'Bottinoite'
loop_
_publ_author_name
'Bonazzi P'
'Mazzi F'
_journal_name_full "American Mineralogist"
_journal_volume 81
_journal_year 1996
_journal_page_first 1494
_journal_page_last 1500
_publ_section_title
;
 Bottinoite, Ni(H2O)6[Sb(OH)6]2: Crystal structure, twinning and hydrogen-bond
 model
 Sample: BS2, synthetic
 Note: U(1,2) for Sb1 and Sb3 changed to match symmetry constraints.
;
_chemical_formula_sum 'Sb2 Ni O18'
_cell_length_a 16.060
_cell_length_b 16.060
_cell_length_c 9.792
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 2187.223
_symmetry_space_group_name_H-M 'P 3'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  '-x+y,-x,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sb1   0.00000   0.00000   0.00000
Sb2   0.66667   0.33333  -0.08830
Sb3   0.33333   0.66667  -0.00210
Sb4   0.00000   0.00000   0.49740
Sb5   0.66667   0.33333   0.41850
Sb6   0.33333   0.66667   0.49870
Sb7   0.32830  -0.00660   0.47040
Sb8   0.66780   0.00550   0.44960
Ni1   0.33790   0.00800  -0.03110
Ni2   0.66390  -0.00650  -0.05050
O1   0.03200   0.11700  -0.12000
O2   0.11400   0.08100   0.11200
O3   0.57900   0.22100  -0.20000
O4   0.69700   0.25400   0.02700
O5   0.30200   0.55400   0.11900
O6   0.36400   0.78300  -0.10900
O7   0.31500   0.09700  -0.15900
O8   0.42600   0.11600   0.09300
O9   0.45400   0.03600  -0.14700
O10   0.36300  -0.08500   0.08800
O11   0.25300  -0.10700  -0.15600
O12   0.21500  -0.02800   0.09100
O13   0.58200   0.02700   0.07000
O14   0.69300   0.11100  -0.16000
O15   0.78100   0.08100   0.07000
O16   0.75400  -0.03200  -0.17800
O17   0.63300  -0.12600   0.06700
O18   0.55300  -0.09100  -0.17200
O19   0.06400   0.11200   0.36600
O20   0.11500   0.04200   0.61100
O21   0.55000   0.26900   0.53500
O22   0.62300   0.22000   0.30200
O23   0.26300   0.55000   0.61500
O24   0.39500   0.77800   0.37700
O25   0.26000   0.03900   0.34400
O26   0.37800   0.11300   0.57800
O27   0.44700   0.06000   0.34700
O28   0.40000  -0.05000   0.58500
O29   0.28100  -0.12300   0.34600
O30   0.21100  -0.07400   0.58100
O31   0.61800   0.07400   0.56700
O32   0.73200   0.11600   0.32600
O33   0.77900   0.05500   0.56200
O34   0.70700  -0.06700   0.33000
O35   0.60700  -0.10800   0.56700
O36   0.55100  -0.04000   0.33700