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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/9/9001786.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_9001786
_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: BN1, natural
 Locality: Bottino mine, Apuan Alps, Italy
 Note: U(1,2) for Sb5 and Sb6 changed to match symmetry constraints.
;
_chemical_formula_sum 'Sb2 Ni O18'
_cell_length_a 16.045
_cell_length_b 16.045
_cell_length_c 9.784
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 2181.356
_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  -0.08880
Sb3   0.33333   0.66667   0.00020
Sb4   0.00000   0.00000   0.49430
Sb5   0.66667   0.33333   0.41930
Sb6   0.33333   0.66667   0.50370
Sb7   0.32730  -0.00660   0.47060
Sb8   0.66790   0.00520   0.45010
Ni1   0.33720   0.01000  -0.03680
Ni2   0.66050  -0.00660  -0.05240
O1   0.03300   0.11800  -0.11800
O2   0.11400   0.08400   0.10900
O3   0.58100   0.22100  -0.20200
O4   0.70100   0.25700   0.02300
O5   0.30200   0.55400   0.11800
O6   0.36000   0.77900  -0.11100
O7   0.31600   0.09900  -0.15800
O8   0.42500   0.11400   0.09900
O9   0.45200   0.03400  -0.15200
O10   0.36500  -0.08500   0.08300
O11   0.25400  -0.10800  -0.16000
O12   0.21600  -0.02500   0.08800
O13   0.58000   0.02300   0.06800
O14   0.69700   0.11000  -0.16500
O15   0.77800   0.08000   0.06700
O16   0.75500  -0.02600  -0.17500
O17   0.63100  -0.12800   0.00600
O18   0.55100  -0.09200  -0.16900
O19   0.05700   0.10900   0.36800
O20   0.11600   0.04100   0.61000
O21   0.55000   0.26400   0.53700
O22   0.62000   0.22100   0.29900
O23   0.26100   0.55000   0.61300
O24   0.39300   0.77900   0.37900
O25   0.26000   0.03800   0.34300
O26   0.37500   0.11900   0.57500
O27   0.44600   0.05800   0.34100
O28   0.39900  -0.05200   0.58200
O29   0.28000  -0.12300   0.34800
O30   0.21400  -0.07000   0.58200
O31   0.61900   0.07200   0.56800
O32   0.73600   0.11700   0.32600
O33   0.78300   0.05700   0.55700
O34   0.71000  -0.06200   0.32300
O35   0.60800  -0.10600   0.56300
O36   0.55000  -0.04200   0.33300