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#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/17/9001786.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9001786
loop_
_publ_author_name
'Bonazzi, P.'
'Mazzi, F.'
_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.
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1494
_journal_page_last               1500
_journal_volume                  81
_journal_year                    1996
_chemical_compound_source        'Bottino mine, Apuan Alps, Italy'
_chemical_formula_sum            'Ni O18 Sb2'
_chemical_name_mineral           Bottinoite
_space_group_IT_number           143
_symmetry_space_group_name_Hall  'P 3'
_symmetry_space_group_name_H-M   'P 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   16.045
_cell_length_b                   16.045
_cell_length_c                   9.784
_cell_formula_units_Z            6
_cell_volume                     2181.356
_database_code_amcsd             0001842
_exptl_crystal_density_diffrn    2.696
_cod_original_formula_sum        'Sb2 Ni O18'
_cod_database_code               9001786
loop_
_space_group_symop_operation_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
_atom_site_attached_hydrogens
Sb1 0.00000 0.00000 0.00000 0
Sb2 0.66667 0.33333 -0.08880 0
Sb3 0.33333 0.66667 0.00020 0
Sb4 0.00000 0.00000 0.49430 0
Sb5 0.66667 0.33333 0.41930 0
Sb6 0.33333 0.66667 0.50370 0
Sb7 0.32730 -0.00660 0.47060 0
Sb8 0.66790 0.00520 0.45010 0
Ni1 0.33720 0.01000 -0.03680 0
Ni2 0.66050 -0.00660 -0.05240 0
O1 0.03300 0.11800 -0.11800 1
O2 0.11400 0.08400 0.10900 1
O3 0.58100 0.22100 -0.20200 1
O4 0.70100 0.25700 0.02300 1
O5 0.30200 0.55400 0.11800 1
O6 0.36000 0.77900 -0.11100 1
O7 0.31600 0.09900 -0.15800 2
O8 0.42500 0.11400 0.09900 2
O9 0.45200 0.03400 -0.15200 2
O10 0.36500 -0.08500 0.08300 2
O11 0.25400 -0.10800 -0.16000 2
O12 0.21600 -0.02500 0.08800 2
O13 0.58000 0.02300 0.06800 2
O14 0.69700 0.11000 -0.16500 2
O15 0.77800 0.08000 0.06700 2
O16 0.75500 -0.02600 -0.17500 2
O17 0.63100 -0.12800 0.00600 2
O18 0.55100 -0.09200 -0.16900 2
O19 0.05700 0.10900 0.36800 1
O20 0.11600 0.04100 0.61000 1
O21 0.55000 0.26400 0.53700 1
O22 0.62000 0.22100 0.29900 1
O23 0.26100 0.55000 0.61300 1
O24 0.39300 0.77900 0.37900 1
O25 0.26000 0.03800 0.34300 1
O26 0.37500 0.11900 0.57500 1
O27 0.44600 0.05800 0.34100 1
O28 0.39900 -0.05200 0.58200 1
O29 0.28000 -0.12300 0.34800 1
O30 0.21400 -0.07000 0.58200 1
O31 0.61900 0.07200 0.56800 1
O32 0.73600 0.11700 0.32600 1
O33 0.78300 0.05700 0.55700 1
O34 0.71000 -0.06200 0.32300 1
O35 0.60800 -0.10600 0.56300 1
O36 0.55000 -0.04200 0.33300 1
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001842
