#------------------------------------------------------------------------------
#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9002343.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_9002343
loop_
_publ_author_name
'Friedrich, A.'
'Wildner, M.'
'Tillmanns, E.'
'Merz, P. L.'
_publ_section_title
;
 Crystal chemistry of the new mineral brandholzite, Mg(H2O)6[Sb(OH)6]2,
 and of the synthetic analogues M(H2O)6[Sb(OH)6]2 (Me=Mg,Co)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              593
_journal_page_last               599
_journal_volume                  85
_journal_year                    2000
_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               9002343
_amcsd_database_code             AMCSD#0002426
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 0.01070
Sb2 0.66667 0.33333 -0.00850 0.01160
Sb3 0.33333 0.66667 -0.09218 0.01180
Sb4 0.00000 0.00000 0.49620 0.01040
Sb5 0.66667 0.33333 0.48833 0.01190
Sb6 0.33333 0.66667 0.41225 0.01060
Sb7 0.33208 0.00551 0.46350 0.01250
Sb8 0.66045 -0.00523 0.44466 0.01000
Co1 0.33755 -0.00376 -0.03589 0.01650
Co2 0.67454 0.00358 -0.05172 0.01460
O1 0.02950 0.11360 -0.11180 0.01680
O2 0.11150 0.08470 0.11270 0.01830
O3 0.74700 0.29990 -0.12100 0.01960
O4 0.77950 0.41720 0.10310 0.01750
O5 0.36250 0.58270 0.01960 0.01890
O6 0.30450 0.75010 -0.20620 0.02050
O7 0.30590 0.08130 -0.16490 0.02220
O8 0.42280 0.11410 0.08160 0.02340
O9 0.45260 0.02310 -0.16580 0.02540
O10 0.35650 -0.09410 0.08750 0.02800
O11 0.24660 -0.12170 -0.16020 0.02100
O12 0.21800 -0.03020 0.08120 0.02060
O13 0.58780 0.03490 0.06480 0.01950
O14 0.69620 0.11650 -0.18280 0.01950
O15 0.79440 0.09330 0.06170 0.02480
O16 0.76330 -0.02070 -0.17870 0.02910
O17 0.64510 -0.11290 0.06920 0.02190
O18 0.55350 -0.08550 -0.16880 0.01800
O19 0.06170 0.11450 0.37510 0.01470
O20 0.11460 0.04570 0.60990 0.01720
O21 0.78100 0.37480 0.60270 0.01750
O22 0.71550 0.26810 0.36670 0.01600
O23 0.21840 0.60330 0.53220 0.01630
O24 0.44790 0.73570 0.29730 0.01750
O25 0.26310 0.05320 0.34740 0.01650
O26 0.38160 0.12100 0.57670 0.01660
O27 0.44690 0.07180 0.34250 0.01760
O28 0.40380 -0.04090 0.57050 0.01710
O29 0.28050 -0.11000 0.34510 0.01620
O30 0.21890 -0.06400 0.58040 0.01740
O31 0.60770 0.05770 0.55750 0.01700
O32 0.73200 0.10780 0.32700 0.01610
O33 0.77460 0.04880 0.56390 0.01810
O34 0.70920 -0.07440 0.33360 0.01620
O35 0.59290 -0.12000 0.56230 0.01800
O36 0.54780 -0.05160 0.32160 0.01680