|
Gersdorffite-Pa3 |
| |
Bayliss P |
 |
American Mineralogist 53 (1968) 290-293 |
|
The crystal structure of disordered gersdorffite |
|
_database_code_amcsd 0000168 |
|
5.7053 5.7053 5.7053 90 90 90 Pa3 |
|
atom x y z occ Biso |
|
Ni 0 0 0 1.2 |
|
As .3785 .3785 .3785 .615 .9 |
|
S .3785 .3785 .3785 .385 .9 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ullmannite |
 |
Bayliss P |
 |
American Mineralogist 62 (1977) 369-373 |
|
Crystal structure refinement of arsenian ullmannite |
|
approximate cubic structure |
|
_database_code_amcsd 0000576 |
|
5.886 5.886 5.886 90 90 90 P2_13 |
|
atom x y z occ Biso |
|
Ni -.0171 -.0171 -.0171 .97 .65 |
|
Co -.0171 -.0171 -.0171 .03 .65 |
|
S .3817 .3817 .3817 .98 .80 |
|
As .3817 .3817 .3817 .02 .80 |
|
Sb .6256 .6256 .6256 .91 .62 |
|
As .6256 .6256 .6256 .08 .62 |
|
Bi .6256 .6256 .6256 .01 .62 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ullmannite |
 |
Bayliss P |
 |
American Mineralogist 62 (1977) 369-373 |
|
Crystal structure refinement of arsenian ullmannite |
|
_database_code_amcsd 0000577 |
|
5.886 5.886 5.886 90 90 90 P1 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ni1 -.0174 -.0162 -.0179 .97 .0060 .0039 .0050 .0004 .0007 .0007 |
|
Co1 -.0174 -.0162 -.0179 .03 .0060 .0039 .0050 .0004 .0007 .0007 |
|
Ni2 .5165 .0184 .4841 .97 .0050 .0038 .0055 -.0002 .0002 .0005 |
|
Co2 .5165 .0184 .4841 .03 .0050 .0038 .0055 -.0002 .0002 .0005 |
|
Ni3 .4811 .5170 .0164 .97 .0051 .0045 .0047 -.0002 .0002 .0009 |
|
Co3 .4811 .5170 .0164 .03 .0051 .0045 .0047 -.0002 .0002 .0009 |
|
Ni4 .0163 .4833 .5171 .97 .0054 .0036 .0047 -.0002 .0004 .0002 |
|
Co4 .0163 .4833 .5171 .03 .0054 .0036 .0047 -.0002 .0004 .0002 |
|
S1 .3818 .3829 .3815 .99 .0073 .0047 .0052 -.0013 .0003 .0008 |
|
As1 .3818 .3829 .3815 .01 .0073 .0047 .0052 -.0013 .0003 .0008 |
|
S2 .1200 .6200 .8816 .0069 .0040 .0050 -.0011 .0000 -.0004 |
|
S3 .8816 .1193 .6186 .95 .0076 .0063 .0065 .0011 .0004 .0012 |
|
As3 .8816 .1193 .6186 .05 .0076 .0063 .0065 .0011 .0004 .0012 |
|
S4 .6189 .8835 .1185 .0073 .0041 .0049 .0009 .0006 .0001 |
|
Sb1 .6249 .6266 .6259 .96 .0048 .0039 .0049 .0000 .0006 .0006 |
|
As1 .6249 .6266 .6259 .04 .0048 .0039 .0049 .0000 .0006 .0006 |
|
Sb2 .8736 .3744 .1255 .91 .0050 .0040 .0048 .0001 .0003 .0004 |
|
As2 .8736 .3744 .1255 .06 .0050 .0040 .0048 .0001 .0003 .0004 |
|
Bi2 .8736 .3744 .1255 .03 .0050 .0040 .0048 .0001 .0003 .0004 |
|
Sb3 .1256 .8748 .3743 .96 .0052 .0038 .0048 -.0001 .0003 .0006 |
|
As3 .1256 .8748 .3743 .03 .0052 .0038 .0048 -.0001 .0003 .0006 |
|
Bi3 .1256 .8748 .3743 .01 .0052 .0038 .0048 -.0001 .0003 .0006 |
|
Sb4 .3744 .1262 .8745 .80 .0046 .0032 .0042 -.0001 .0005 .0003 |
|
As4 .3744 .1262 .8745 .20 .0046 .0032 .0042 -.0001 .0005 .0003 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Pyrite |
 |
Bayliss P |
 |
American Mineralogist 62 (1977) 1168-1172 |
|
Crystal structure refinement of a weakly anisotropic pyrite |
|
cubic model |
|
_database_code_amcsd 0000605 |
|
5.4166 5.4166 5.4166 90 90 90 Pa3 |
|
atom x y z Biso |
|
Fe 0 0 0 .28 |
|
S .3851 .3851 .3851 .33 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Pyrite |
 |
Bayliss P |
 |
American Mineralogist 62 (1977) 1168-1172 |
|
Crystal structure refinement of a weakly anisotropic pyrite |
|
_database_code_amcsd 0000606 |
|
5.4166 5.4166 5.4166 90 90 90 P1 |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Fe1 .0010 .0020 .0030 .0023 .0024 .0017 .0000 .0000 .0004 |
|
Fe2 .4966 .0001 .5036 .0026 .0026 .0019 .0002 -.0003 -.0001 |
|
Fe3 .5001 .5020 .0011 .0026 .0021 .0022 .0007 -.0002 -.0003 |
|
Fe4 -.0006 .5013 .5038 .0026 .0026 .0016 .0001 -.0002 -.0001 |
|
S1 .3857 .3832 .3840 .0020 .0018 .0004 -.0007 -.0003 -.0004 |
|
S2 .1149 .6114 .8846 .0038 .0069 .0050 .0002 -.0001 -.0007 |
|
S3 .8854 .1157 .6143 .0034 .0001 -.0002 -.0001 -.0004 -.0004 |
|
S4 .6153 .8865 .1141 .0039 .0075 .0039 -.0003 -.0008 -.0010 |
|
S5 .6151 .6132 .6137 .0035 .0046 .0049 .0002 -.0002 .0000 |
|
S6 .8854 .3818 .1149 .0026 -.0005 -.0002 .0000 -.0003 .0002 |
|
S7 .1147 .8856 .3841 .0035 .0057 .0054 .0001 -.0003 -.0001 |
|
S8 .3857 .1161 .8842 .0014 -.0004 .0011 .0004 .0001 .0004 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ullmannite |
 |
Pratt J L, Bayliss P |
 |
American Mineralogist 65 (1980) 154-156 |
|
Crystal structure refinement of a cobaltian ullmannite |
|
_database_code_amcsd 0000774 |
|
5.9218 5.9218 5.9218 90 90 90 P2_13 |
|
atom x y z occ Biso |
|
Ni -.0178 -.0178 -.0178 .86 0.56 |
|
Co -.0178 -.0178 -.0178 .14 0.56 |
|
S .3816 .3816 .3816 0.83 |
|
Sb .6264 .6264 .6264 0.55 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cobaltite |
 |
Bayliss P |
 |
American Mineralogist 67 (1982) 1048-1057 |
|
A further crystal structure refinement of cobaltite |
|
_database_code_amcsd 0000883 |
|
5.592 5.587 5.567 90 90 90 Pca2_1 |
|
atom x y z Biso |
|
Co .9955 .2596 0 0.35 |
|
As .3845 .6314 .3809 0.64 |
|
S .6195 .8694 .6168 0.23 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Gersdorffite-Pca21 |
| |
Bayliss P |
 |
American Mineralogist 67 (1982) 1058-1064 |
|
A further crystal structure refinement of gersdorffite |
|
Sample: M15861 |
|
Locality: Garson mine, Sudbury, Ontario, Canada |
|
_database_code_amcsd 0000884 |
|
5.622 5.622 5.622 90 90 90 Pca2_1 |
|
atom x y z occ |
|
Fe 0 .25 0 .19 |
|
Co 0 .25 0 .27 |
|
Ni 0 .25 0 .54 |
|
As1 .375 .625 .375 .52 |
|
S1 .375 .625 .375 .48 |
|
As2 .625 .875 .625 .52 |
|
S2 .625 .875 .625 .48 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Tolovkite |
 |
Bayliss P |
 |
American Mineralogist 74 (1989) 1168-1176 |
|
Crystal chemistry and crystallography of some minerals within the pyrite group |
|
_database_code_amcsd 0001275 |
|
6.025 6.025 6.025 90 90 90 Pca2_1 |
|
atom x y z Biso |
|
Ir -.0067 .2612 .0022 0.2 |
|
Sb .3776 .6276 .3776 0.4 |
|
S .6224 .8724 .6224 0.8 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fukuchilite |
 |
Bayliss P |
 |
American Mineralogist 74 (1989) 1168-1176 |
|
Crystal chemistry and crystallography of some minerals within the pyrite group |
|
_database_code_amcsd 0001276 |
|
5.585 5.585 5.585 90 90 90 Pa3 |
|
atom x y z occ |
|
Cu 0 0 0 .7 |
|
Fe 0 0 0 .3 |
|
S .3951 .3951 .3951 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Maslovite |
 |
Bayliss P |
 |
American Mineralogist 74 (1989) 1168-1176 |
|
Crystal chemistry and crystallography of some minerals within the pyrite group |
|
_database_code_amcsd 0001277 |
|
6.687 6.687 6.687 90 90 90 Pa3 |
|
atom x y z occ |
|
Pt 0 0 0 .73 |
|
Pd 0 0 0 .27 |
|
Bi .369 .369 .369 .65 |
|
Te .369 .369 .369 .315 |
|
Sb .369 .369 .369 .035 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Stibarsen |
 |
Bayliss P |
 |
American Mineralogist 76 (1991) 257-265 |
|
Crystal chemistry and crystallography of some minerals in the tetradymite group |
|
_database_code_amcsd 0001345 |
|
4.0255 4.0255 10.837 90 90 120 R-3m |
|
atom x y z |
|
As 0 0 0 |
|
Sb 0 0 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Volynskite |
 |
Bayliss P |
 |
American Mineralogist 76 (1991) 257-265 |
|
Crystal chemistry and crystallography of some minerals in the tetradymite group |
|
_database_code_amcsd 0001346 |
|
4.468 4.468 20.75 90 90 120 P-3m1 |
|
atom x y z |
|
Ag 0 0 .5 |
|
Ag 1/3 2/3 2/3 |
|
Bi 0 0 0 |
|
Bi 1/3 2/3 .163 |
|
Te 0 0 .25 |
|
Te 1/3 2/3 .417 |
|
Te 1/3 2/3 .917 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ingodite |
 |
Bayliss P |
 |
American Mineralogist 76 (1991) 257-265 |
|
Crystal chemistry and crystallography of some minerals in the tetradymite group |
|
_database_code_amcsd 0001347 |
|
4.2477 4.2477 23.075 90 90 120 P-3m1 |
|
atom x y z occ |
|
Bi 0 0 .124 |
|
Bi 1/3 2/3 .291 |
|
Bi 2/3 1/3 .459 |
|
S 0 0 .362 .56 |
|
Te 0 0 .362 .44 |
|
S 1/3 2/3 .056 .56 |
|
Te 1/3 2/3 .056 .44 |
|
S 2/3 1/3 .211 .56 |
|
Te 2/3 1/3 .211 .44 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Titanomagnetite |
| |
Stout M Z, Bayliss P |
 |
The Canadian Mineralogist 13 (1975) 86-88 |
|
Crystal structure of a natural titanomagnetite |
|
_database_code_amcsd 0005107 |
|
8.3976 8.3976 8.3976 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
FeA .125 .125 .125 .997 .701 |
|
MnA .125 .125 .125 .014 .701 |
|
SiA .125 .125 .125 .008 .701 |
|
FeB .5 .5 .5 .604 .616 |
|
TiB .5 .5 .5 .295 .616 |
|
AlB .5 .5 .5 .044 .616 |
|
MgB .5 .5 .5 .025 .616 |
|
CrB .5 .5 .5 .019 .616 |
|
VB .5 .5 .5 .010 .616 |
|
CaB .5 .5 .5 .003 .616 |
|
O .26277 .26277 .26277 .723 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Magnetite |
 |
Stout M Z, Bayliss P |
 |
The Canadian Mineralogist 18 (1980) 339-341 |
|
Crystal structure of two ferrian ulvospinels from British Columbia |
|
Note: sample NR5 |
|
Locality: Aiyansh basalt lava flow, Nass River valley, British Columbia, Canada |
|
_database_code_amcsd 0005178 |
|
8.481 8.481 8.481 90 90 90 *Fd-3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
FeT .125 .125 .125 .93 .84 |
|
TiT .125 .125 .125 .07 .84 |
|
FeO .5 .5 .5 .565 .64 |
|
MnO .5 .5 .5 .01 .64 |
|
VO .5 .5 .5 .005 .64 |
|
TiO .5 .5 .5 .33 .64 |
|
CaO .5 .5 .5 .005 .64 |
|
SiO .5 .5 .5 .005 .64 |
|
AlO .5 .5 .5 .03 .64 |
|
MgO .5 .5 .5 .05 .64 |
|
O .2599 .2599 .2599 1.04 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Magnetite |
 |
Stout M Z, Bayliss P |
 |
The Canadian Mineralogist 18 (1980) 339-341 |
|
Crystal structure of two ferrian ulvospinels from British Columbia |
|
Note: sample IM7 |
|
Locality: Itcha Mountain hawaiite lava flow, central British Columbia, Canada |
|
_database_code_amcsd 0005179 |
|
8.504 8.504 8.504 90 90 90 *Fd-3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
FeT .125 .125 .125 .92 |
|
FeO .5 .5 .5 .55 .8 |
|
MnO .5 .5 .5 .01 .8 |
|
VO .5 .5 .5 .005 .8 |
|
TiO .5 .5 .5 .37 .8 |
|
CaO .5 .5 .5 .005 .8 |
|
SiO .5 .5 .5 .005 .8 |
|
AlO .5 .5 .5 .025 .8 |
|
MgO .5 .5 .5 .03 .8 |
|
O .2595 .2595 .2595 1.18 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Tulameenite |
 |
Bayliss P |
 |
The Canadian Mineralogist 28 (1990) 751-755 |
|
Revised unit cell dimensions, space group, |
|
and chemical formua of some metallic minerals |
|
_database_code_amcsd 0005244 |
|
2.7477 2.7477 3.5870 90 90 90 P4/mmm |
|
atom x y z occ |
|
Cu .5 .5 .5 .5 |
|
Fe .5 .5 .5 .5 |
|
Pt 0 0 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ferronickelplatinum |
 |
Bayliss P |
 |
The Canadian Mineralogist 28 (1990) 751-755 |
|
Revised unit cell dimensions, space group, |
|
and chemical formua of some metallic minerals |
|
_database_code_amcsd 0005245 |
|
2.731 2.731 3.641 90 90 90 P4/mmm |
|
atom x y z occ |
|
Ni .5 .5 .5 .5 |
|
Fe .5 .5 .5 .5 |
|
Pt 0 0 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Potarite |
 |
Bayliss P |
 |
The Canadian Mineralogist 28 (1990) 751-755 |
|
Revised unit cell dimensions, space group, |
|
and chemical formua of some metallic minerals |
|
Note: cell edges taken from Handbook of Mineralogy |
|
_database_code_amcsd 0005246 |
|
3.026 3.026 3.702 90 90 90 P4/mmm |
|
atom x y z |
|
Hg 0 0 0 |
|
Pd .5 .5 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Tetraferroplatinum |
 |
Bayliss P |
 |
The Canadian Mineralogist 28 (1990) 751-755 |
|
Revised unit cell dimensions, space group, |
|
and chemical formua of some metallic minerals |
|
_database_code_amcsd 0005247 |
|
2.7235 2.7235 3.720 90 90 90 P4/mmm |
|
atom x y z |
|
Fe 0 0 0 |
|
Pt .5 .5 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Tetraauricupride |
 |
Bayliss P |
 |
The Canadian Mineralogist 28 (1990) 751-755 |
|
Revised unit cell dimensions, space group, |
|
and chemical formua of some metallic minerals |
|
_database_code_amcsd 0005248 |
|
2.800 2.800 3.670 90 90 90 P4/mmm |
|
atom x y z |
|
Au 0 0 0 |
|
Cu .5 .5 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Sobolevskite |
 |
Bayliss P |
 |
The Canadian Mineralogist 28 (1990) 751-755 |
|
Revised unit cell dimensions, space group, |
|
and chemical formua of some metallic minerals |
|
Note: cell edges taken from Handbook of Mineralogy |
|
_database_code_amcsd 0005249 |
|
4.23 4.23 5.69 90 90 120 P6_3/mmc |
|
atom x y z |
|
Bi 1/3 2/3 .25 |
|
Pd 0 0 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Roaldite |
 |
Bayliss P |
 |
The Canadian Mineralogist 28 (1990) 751-755 |
|
Revised unit cell dimensions, space group, |
|
and chemical formua of some metallic minerals |
|
Locality: synthetic |
|
Note: Fe and N positions switched to match formula |
|
Note: cell edge taken from Handbook of Mineralogy |
|
_database_code_amcsd 0005250 |
|
3.79 3.79 3.79 90 90 90 P-43m |
|
atom x y z |
|
Fe .265 .265 .265 |
|
N 0 0 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Mgriite |
 |
Bayliss P |
 |
The Canadian Mineralogist 28 (1990) 751-755 |
|
Revised unit cell dimensions, space group, |
|
and chemical formua of some metallic minerals |
|
Locality: synthetic |
|
_database_code_amcsd 0005251 |
|
5.758 5.758 5.758 90 90 90 Fd3m |
|
atom x y z occ |
|
Se 0 0 0 .423 |
|
Cu 0 0 0 .415 |
|
As 0 0 0 .139 |
|
Fe 0 0 0 .023 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Hexatestibiopanickelite |
 |
Bayliss P |
 |
The Canadian Mineralogist 28 (1990) 751-755 |
|
Revised unit cell dimensions, space group, |
|
and chemical formua of some metallic minerals |
|
_database_code_amcsd 0005252 |
|
3.983 3.983 5.339 90 90 120 P6_3/mmc |
|
atom x y z occ |
|
Ni 0 0 0 .69 |
|
Pd 0 0 0 .31 |
|
Te 1/3 2/3 .25 .50 |
|
Sb 1/3 2/3 .25 .49 |
|
Bi 1/3 2/3 .25 .01 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Bogdanovite |
 |
Bayliss P |
 |
The Canadian Mineralogist 28 (1990) 751-755 |
|
Revised unit cell dimensions, space group, |
|
and chemical formua of some metallic minerals |
|
_database_code_amcsd 0005253 |
|
4.0876 4.0876 4.0876 90 90 90 Pm-3m |
|
atom x y z |
|
Au 0 .5 .5 |
|
Cu 0 0 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Wairauite |
 |
Bayliss P |
 |
The Canadian Mineralogist 28 (1990) 751-755 |
|
Revised unit cell dimensions, space group, |
|
and chemical formua of some metallic minerals |
|
_database_code_amcsd 0005254 |
|
2.857 2.857 2.857 90 90 90 Pm-3m |
|
atom x y z |
|
Co 0 0 0 |
|
Fe .5 .5 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Synchysite-(Ce) |
 |
Wang L, Ni Y, Hughes J M, Bayliss P, Drexler J W |
 |
The Canadian Mineralogist 32 (1994) 865-871 |
|
The atomic arrangement of synchysite-(Ce), CeCaF(CO3)2 |
|
Locality: Mont Saint-Hilaire, Quebec, Canada |
|
_database_code_amcsd 0005411 |
|
12.329 7.110 18.741 90 102.68 90 C2/c |
|
atom x y z Biso |
|
Ce1 .5 .2529 .25 1.04 |
|
Ce2 .6688 .2531 .7499 1.12 |
|
Ca1 .25 .25 .5 2.01 |
|
Ca2 .9128 .2499 .5002 1.48 |
|
C1 .973 .099 .116 1.2 |
|
C2 .397 .100 .386 1.3 |
|
C3 .289 .043 .119 1.3 |
|
O1 .435 .303 .8794 1.5 |
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O2 .922 .071 .0490 2.2 |
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O3 .948 .055 .1742 1.4 |
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O4 .489 .186 .3802 1.8 |
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O5 .607 .076 .0470 1.6 |
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O6 .670 .052 .1723 1.3 |
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O7 .311 .135 .1786 .9 |
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O8 .705 .134 .8783 2.0 |
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O9 .269 .111 .0534 1.6 |
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F1 .5 .087 .75 1.3 |
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F2 .8402 .087 .7733 1.1 |
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Stibnite |
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Bayliss P, Nowacki W |
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Zeitschrift fur Kristallographie 135 (1972) 308-315 |
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Refinement of the crystal structure of stibnite, Sb2S3 |
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_database_code_amcsd 0010729 |
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11.3107 3.8363 11.2285 90 90 90 Pnma |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Sb1 .0293 .25 .3261 .0030 .0144 .0025 0 .0006 0 |
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Sb2 .1495 .75 .0360 .0027 .0230 .0036 0 .0013 0 |
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S1 .0497 .25 .8769 .0032 .0180 .0027 0 .0004 0 |
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S2 .1251 .75 .4386 .0035 .0177 .0024 0 .0008 0 |
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S3 .2079 .25 .1917 .0031 .0267 .0023 0 .0002 0 |
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Cattierite |
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Pratt J L, Bayliss P |
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Zeitschrift fur Kristallographie 150 (1979) 163-167 |
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Crystal-structure refinement of cattierite |
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Locality: Shinkolobwe Mine, Katanga, Zaire |
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Note: pyrite structure |
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_database_code_amcsd 0010814 |
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5.5387 5.5387 5.5387 90 90 90 Pa3 |
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atom x y z occ Biso |
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Co 0 0 0 .80 .38 |
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Fe 0 0 0 .11 .38 |
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Ni 0 0 0 .09 .38 |
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S .3900 .3900 .3900 .46 |
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Gersdorffite-P213 |
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Bayliss P, Stephenson N C |
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Mineralogical Magazine 36 (1967) 38-42 |
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The crystal structure of gersdorffite |
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Locality: Wolfsberg, Harz, Germany |
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_database_code_amcsd 0014444 |
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5.6885 5.6885 5.6885 90 90 90 P2_13 |
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atom x y z occ Biso |
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Ni -.0065 -.0065 -.0065 1.4 |
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S1 .3825 .3825 .3825 1.0 |
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S2 .6164 .6164 .6164 .18 1.6 |
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As2 .6164 .6164 .6164 .82 1.6 |
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