#------------------------------------------------------------------------------ #$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $ #$Revision: 255 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9001991.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_9001991 loop_ _publ_author_name 'Bouska V' 'Cisarova I' 'Skala R' 'Dvorak A' 'Zelinka J' 'Zak K' _publ_section_title ; Hartite from Bilina ; _journal_name_full 'American Mineralogist' _journal_page_first 1340 _journal_page_last 1346 _journal_volume 83 _journal_year 1998 _chemical_formula_sum C5 _chemical_name_mineral Hartite _symmetry_space_group_name_H-M 'P 1' _cell_angle_alpha 93.941 _cell_angle_beta 100.750 _cell_angle_gamma 80.499 _cell_length_a 11.407 _cell_length_b 20.952 _cell_length_c 7.4060 _cell_volume 1713.797 loop_ _symmetry_equiv_pos_as_xyz x,y,z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv C011 0.49010 0.05320 0.21590 0.00610 C021 0.49470 0.01920 0.39440 0.00860 C031 0.41650 0.05600 0.52350 0.00860 C041 0.45000 0.12320 0.57450 0.00710 C051 0.44120 0.16410 0.40570 0.00500 C061 0.50400 0.22450 0.46980 0.00510 C071 0.44610 0.26990 0.61220 0.00710 C081 0.50680 0.32910 0.66930 0.00820 C091 0.53490 0.36090 0.50630 0.00730 C101 0.61330 0.31120 0.40440 0.00710 C111 0.52630 0.26550 0.31550 0.00510 C121 0.57920 0.22180 0.16730 0.00590 C131 0.51470 0.16420 0.10420 0.00540 C141 0.51410 0.12370 0.26770 0.00480 C151 0.59260 0.01700 0.12080 0.00890 C161 0.37060 0.04860 0.08520 0.00740 C171 0.30670 0.18300 0.32420 0.00580 C181 0.42630 0.37910 0.35230 0.00680 C191 0.31130 0.41460 0.41300 0.00880 C201 0.41370 0.31460 0.24000 0.00570 C012 -0.08310 0.11200 0.79960 0.00670 C022 -0.10490 0.09160 0.59470 0.00780 C032 -0.01930 0.11350 0.48800 0.00790 C042 -0.02490 0.18700 0.50420 0.00650 C052 -0.00080 0.21370 0.70410 0.00490 C062 -0.04130 0.28850 0.70200 0.00560 C072 -0.02570 0.32470 0.59090 0.00710 C082 -0.01610 0.39820 0.59370 0.00920 C092 -0.03240 0.42590 0.78490 0.00900 C102 -0.11960 0.39170 0.85450 0.00900 C112 -0.04770 0.32370 0.89250 0.00640 C122 -0.10910 0.28730 0.00890 0.00790 C132 -0.06640 0.21560 0.01160 0.00750 C142 -0.08190 0.18540 0.81500 0.00580 C152 -0.18920 0.09660 0.88110 0.00990 C162 0.03210 0.07110 0.90070 0.00900 C172 0.13490 0.19570 0.77770 0.00590 C182 0.08020 0.41110 0.93310 0.00760 C192 0.19840 0.42200 0.88470 0.00850 C202 0.07590 0.34180 0.98770 0.00640 C013 -0.00890 0.61600 0.44040 0.00550 C023 -0.01230 0.57980 0.25250 0.00720 C033 0.07060 0.60030 0.13790 0.00820 C043 0.04150 0.67290 0.10650 0.00750 C053 0.04790 0.71470 0.28690 0.00480 C063 -0.01240 0.78530 0.23820 0.00520 C073 0.05030 0.81780 0.11090 0.00780 C083 -0.00730 0.88810 0.07070 0.00910 C093 -0.03800 0.92730 0.24390 0.00770 C103 -0.12020 0.98310 0.32650 0.00770 C113 -0.03570 0.83250 0.40350 0.00530 C123 -0.09460 0.80050 0.53470 0.00670 C133 -0.03340 0.78260 0.58370 0.00620 C143 -0.03000 0.68970 0.40890 0.00470 C153 -0.11330 0.59920 0.52150 0.00810 C163 0.10750 0.59160 0.57010 0.00810 C173 0.18120 0.71030 0.37810 0.00670 C183 0.06710 0.92800 0.40190 0.00770 C193 0.18440 0.94250 0.36030 0.01070 C203 0.07660 0.86270 0.49480 0.00630 C014 0.52690 0.81530 -0.25830 0.00640 C024 0.42580 0.85760 -0.17640 0.00720 C034 0.41630 0.84030 0.01540 0.00830 C044 0.40060 0.76920 0.01640 0.00740 C054 0.50240 0.72160 -0.05140 0.00500 C064 0.46230 0.65330 -0.08240 0.00540 C074 0.44340 0.62400 0.09240 0.00740 C084 0.40620 0.55660 0.05920 0.00910 C094 0.48010 0.51270 -0.06450 0.00790 C104 0.46750 0.54540 -0.24400 0.00790 C114 0.53900 0.60190 -0.18910 0.00540 C124 0.56490 0.62990 -0.35990 0.00720 C134 0.60840 0.69500 -0.32360 0.00660 C144 0.51560 0.74330 -0.24250 0.00530 C154 0.65070 0.83380 -0.16520 0.00870 C164 0.50820 0.83080 -0.46360 0.00970 C174 0.61800 0.72130 0.09190 0.00660 C184 0.61670 0.50490 -0.00080 0.00690 C194 0.66550 0.48970 0.20080 0.00960 C204 0.65220 0.56660 -0.06490 0.00610