|
Pekoite |
 |
Mumme W G, Watts J A |
 |
The Canadian Mineralogist 14 (1976) 322-333 |
|
Pekoite, CuPbBi11S18, a new member of the bismuthinite-alkinite mineral series: |
|
its crystal structure and relationship with naturally- and synthetically-formed members |
|
Note: x-coordinate of S18 changed in order to generate reported bond lengths. |
|
_database_code_amcsd 0005123 |
|
11.472 33.744 4.016 90 90 90 P2_1am |
|
atom x y z occ Biso |
|
BiM1 .4685 .9752 .5 .81 |
|
BiM2 .3368 .0710 0 1.92 |
|
BiM3 .0191 .1408 0 1.56 |
|
BiM4 .4891 .3077 .5 4.00 |
|
BiM5 .3430 .4060 0 5.90 |
|
BiM6 .1582 .2389 .5 1.50 |
|
BiM7 .1535 .9049 .5 .24 |
|
BiM8 .0255 .8082 0 2.80 |
|
BiM9 .4868 .6411 .5 1.74 |
|
BiM10 .1718 .5717 .5 1.93 |
|
BiM11 .0098 .4748 0 1.20 |
|
BiM12 .3326 .7521 0 .3 3.00 |
|
PbM12 .3326 .7521 0 .7 3.00 |
|
Cu .2455 .6525 0 .7 5.00 |
|
S1 .2754 .0179 .5 .83 1.05 |
|
Se1 .2754 .0179 .5 .17 1.05 |
|
S2 .1150 .1018 .5 .83 2.15 |
|
Se2 .1150 .1018 .5 .17 2.15 |
|
S3 .0500 .2958 0 .83 1.65 |
|
Se3 .0500 .2958 0 .17 1.65 |
|
S4 .0454 .9600 0 .83 2.00 |
|
Se4 .0454 .9600 0 .17 2.00 |
|
S5 .4546 .1291 .5 .83 1.35 |
|
Se5 .4546 .1291 .5 .17 1.35 |
|
S6 .3700 .9370 0 .83 1.80 |
|
Se6 .3700 .9370 0 .17 1.80 |
|
S7 .2854 .3515 .5 .83 2.15 |
|
Se7 .2854 .3515 .5 .17 2.15 |
|
S8 .3705 .2684 0 .83 .95 |
|
Se8 .3705 .2684 0 .17 .95 |
|
S9 .2200 .1849 0 .83 1.06 |
|
Se9 .2200 .1849 0 .17 1.06 |
|
S10 .2056 .5179 0 .83 1.85 |
|
Se10 .2056 .5179 0 .17 1.85 |
|
S11 .3795 .6018 0 .83 2.14 |
|
Se11 .3795 .6018 0 .17 2.14 |
|
S12 .4549 .7958 .5 .83 1.44 |
|
Se12 .4549 .7958 .5 .17 1.44 |
|
S13 .4546 .4624 .5 .83 1.85 |
|
Se13 .4546 .4624 .5 .17 1.85 |
|
S14 .0550 .6291 0 .83 1.65 |
|
Se14 .0550 .6291 0 .17 1.65 |
|
S15 .1205 .4351 .5 .83 .85 |
|
Se15 .1205 .4351 .5 .17 .85 |
|
S16 .2146 .8520 0 .83 1.05 |
|
Se16 .2146 .8520 0 .17 1.05 |
|
S17 .1205 .7684 .5 .83 1.15 |
|
Se17 .1205 .7684 .5 .17 1.15 |
|
S18 .2854 .6849 .5 .83 2.56 |
|
Se18 .2854 .6849 .5 .17 2.56 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pavonite |
|
Makovicky E, Mumme W G, Watts J A |
|
The Canadian Mineralogist 15 (1977) 339-348 |
|
The crystal structure of synthetic pavonite, AgBi3S5, and |
|
the definition of the pavonite homologous series |
|
_database_code_amcsd 0005141 |
|
13.305 4.042 16.417 90 94.02 90 C2/m |
|
atom x y z Biso |
|
Bi1 .2369 .5 .1110 1.85 |
|
Bi2 .4722 0 .2169 2.07 |
|
Bi3 .2192 0 .3891 2.17 |
|
Ag1 0 0 0 2.51 |
|
Ag2 0 .5 .5 2.43 |
|
S1 .3688 0 .0534 1.20 |
|
S2 .0979 0 .1479 2.20 |
|
S3 .3386 .5 .2612 .99 |
|
S4 .0772 .5 .3603 1.38 |
|
S5 .3439 .5 .4664 1.50 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Grumiplucite |
|
Mumme W G, Watts J A |
 |
Acta Crystallographica B36 (1980) 1300-1304 |
|
HgBi2S4: Crystal structure and relationship with the pavonite homologous series |
|
Locality: synthetic |
|
_database_code_amcsd 0009710 |
|
14.17 4.06 13.99 90 118.27 90 C2/m |
|
atom x y z Biso |
|
Hg1 0 0 0 2.3 |
|
Hg2 0 0 .5 2.4 |
|
Bi1 .2260 0 .3679 1.8 |
|
Bi2 .3499 0 .1379 1.7 |
|
S1 .1859 .5 .0648 1.3 |
|
S2 .4991 .5 .1701 .8 |
|
S3 .1244 .5 .4280 1.0 |
|
S4 .3432 .5 .3243 2.4 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cs1.062 O16 Ti8 |
| |
Fanchon E, Hodeau J, Vicat J, Watts J |
| |
Journal of Solid State Chemistry 92 (1991) 88-100 |
|
Three-dimensional/one-dimensional transition in the Cs^+^ sublattice of |
|
the mixed valence CsTi8O16 hollandite: structuresat 297 and 673K |
|
_cod_database_code 1008513 |
|
_database_code_amcsd 0016406 |
|
14.524 14.524 5.936 90 90 90 I4_1/a |
|
atom x y z occ |
|
Cs1 0 0 0 .509 |
|
Cs2 0 0 .5 .148 |
|
Cs3 0 0 .059 .101 |
|
Cs4 0 0 .558 .101 |
|
Ti1 .25813 .40887 .99632 |
|
Ti2 .24368 .09203 .99582 |
|
O1 .1834 .5257 -.0048 |
|
O2 .3517 .3134 .0041 |
|
O3 .3168 -.0253 -.0042 |
|
O4 .1479 .1857 .0025 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cs1.1 O16 Ti8 |
| |
Fanchon E, Hodeau J, Vicat J, Watts J |
| |
Journal of Solid State Chemistry 92 (1991) 88-100 |
|
Three-dimensional/one-dimensional transition in the Cs^+^ sublattice of |
|
the mixed valence CsTi8O16 hollandite: structures at 297 and 673K |
|
_cod_database_code 1008514 |
|
_database_code_amcsd 0016407 |
|
10.317 10.317 2.980 90 90 90 I4/m |
|
atom x y z occ |
|
Cs1 0 0 .5 .55 |
|
Ti1 .3491 .1659 0 |
|
O1 .1583 .2078 0 |
|
O2 .5383 .1649 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
