#------------------------------------------------------------------------------
#$Date: 2010-04-10 19:37:29 +0100 (Sat, 10 Apr 2010) $
#$Revision: 1071 $
#$URL: svn://www.crystallography.net/cod/cif/9/9007738.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_9007738
loop_
_publ_author_name
'Chevrier, G.'
'Saint-James R'
_publ_section_title
;
 Structure investigation by neutron diffraction of deuterated
 cobalt fluosilicate hexahydrate
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              186
_journal_page_last               189
_journal_volume                  46
_journal_year                    1990
_chemical_formula_sum            'Co D12 F6 O6 Si'
_chemical_name_mineral           CoSiF6.6D2O
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.369
_cell_length_b                   9.369
_cell_length_c                   9.731
_cell_volume                     739.732
_exptl_crystal_density_diffrn    2.163
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_9422'
_[local]_cod_cif_authors_sg_H-M  'R -3'
_[local]_cod_chemical_formula_sum_orig 'Co Si F6 O6 D12'
_cod_database_code               9007738
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
y,-x+y,-z
2/3+y,1/3-x+y,1/3-z
1/3+y,2/3-x+y,2/3-z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
-x,-y,-z
2/3-x,1/3-y,1/3-z
1/3-x,2/3-y,2/3-z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
x-y,x,-z
2/3+x-y,1/3+x,1/3-z
1/3+x-y,2/3+x,2/3-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Co 0.00000 0.00000 0.00000 1.00000 0.01750
Si 0.00000 0.00000 0.50000 1.00000 0.01610
F1 0.15530 0.13140 0.40090 0.43000 0.04780
F2 0.16720 0.06500 0.39970 0.57000 0.03430
O 0.17470 0.18610 0.12500 1.00000 0.03390
D1 0.17850 0.16540 0.21940 1.00000 0.05660
D2 0.20530 0.29810 0.11290 1.00000 0.04800