#------------------------------------------------------------------------------
#$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $
#$Revision: 77586 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/29/9002900.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_9002900
loop_
_publ_author_name
'Friedrich, A.'
'Mazzi, F.'
'Wildner, M.'
'Tillmanns, E.'
_publ_section_title
;
 Isotypism of Co(H2O)6[Sb(OH)6]2 with brandholzite and bottinoite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              462
_journal_page_last               463
_journal_volume                  88
_journal_year                    2003
_chemical_formula_structural     Co(H2O)6[Sb(OH)6]2
_chemical_formula_sum            'Co O18 Sb2'
_chemical_name_mineral           Co(H2O)6[Sb(OH)6]2
_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                   16.105
_cell_length_b                   16.105
_cell_length_c                   9.851
_cell_volume                     2212.750
_exptl_crystal_density_diffrn    2.658
_[local]_cod_chemical_formula_sum_orig 'Sb2 Co O18'
_cod_database_code               9002900
_amcsd_database_code             AMCSD#0002988
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
_atom_site_U_iso_or_equiv
Sb1 0.00000 0.00000 0.00000 0.01160
Sb2 0.66667 0.33333 -0.08368 0.01180
Sb3 0.33333 0.66667 0.00850 0.01070
Co1 0.33709 0.00798 -0.02739 0.01650
Co2 0.66237 -0.00787 -0.04322 0.01460
O1 0.03340 0.11380 -0.11250 0.01960
O2 0.11280 0.08390 0.11160 0.01750
O3 0.58320 0.22110 -0.19770 0.02050
O4 0.69580 0.24940 0.02810 0.01890
O5 0.30350 0.55220 0.12120 0.01830
O6 0.36280 0.78030 -0.10330 0.01680
O7 0.31020 0.09620 -0.15730 0.02540
O8 0.42740 0.11730 0.09600 0.02800
O9 0.45500 0.03500 -0.15170 0.02100
O10 0.36350 -0.08510 0.08970 0.02060
O11 0.25200 -0.10870 -0.15640 0.02220
O12 0.21930 -0.02460 0.09010 0.02340
O13 0.57530 0.02160 0.07770 0.02190
O14 0.69430 0.11320 -0.16030 0.01800
O15 0.78040 0.07890 0.07330 0.01950
O16 0.75360 -0.02950 -0.17430 0.01950
O17 0.63220 -0.12770 0.07020 0.02480
O18 0.54930 -0.09660 -0.17020 0.02910
Sb4 0.00000 0.00000 0.49683 0.01190
Sb5 0.66667 0.33333 0.42075 0.01060
Sb6 0.33333 0.66667 0.50470 0.01040
Sb7 0.32782 -0.00676 0.47200 0.01250
Sb8 0.66765 0.00622 0.45316 0.01000
O19 0.06520 0.11410 0.37520 0.01600
O20 0.11430 0.04150 0.61120 0.01750
O21 0.55170 0.26700 0.54070 0.01630
O22 0.62110 0.21880 0.30580 0.01750
O23 0.26440 0.55210 0.61840 0.01720
O24 0.39500 0.78120 0.38360 0.01470
O25 0.26150 0.04180 0.35100 0.01760
O26 0.37420 0.11140 0.57900 0.01710
O27 0.44330 0.05720 0.35360 0.01620
O28 0.39730 -0.05040 0.58890 0.01740
O29 0.28010 -0.12340 0.35590 0.01650
O30 0.21230 -0.07270 0.58520 0.01660
O31 0.62040 0.07380 0.57080 0.01800
O32 0.73390 0.11890 0.33010 0.01680
O33 0.78330 0.05900 0.56600 0.01700
O34 0.70910 -0.06530 0.33550 0.01610
O35 0.60750 -0.10790 0.57240 0.01810
O36 0.54970 -0.04250 0.34210 0.01620