#------------------------------------------------------------------------------ #$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $ #$Revision: 14 $ #$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/ # # All data on this site have been placed in the public domain by the # contributors. # data_9002343 _chemical_name 'Co(H2O)6[Sb(OH)6]2' loop_ _publ_author_name 'Friedrich A' 'Wildner M' 'Tillmanns E' 'Merz P L' _journal_name_full "American Mineralogist" _journal_volume 85 _journal_year 2000 _journal_page_first 593 _journal_page_last 599 _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) ; _chemical_formula_sum 'Sb2 Co O18' _cell_length_a 16.105 _cell_length_b 16.105 _cell_length_c 9.851 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 2212.750 _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 _atom_site_Uiso_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