|
Chekhovichite |
 |
Rossell H J, Leblanc M, Ferey G, Bevan D J M, Simpson D J, Taylor M R |
| |
Australian Journal of Chemistry 45 (1992) 1415-1425 |
|
On the crystal structure of Bi2Te4O11 |
|
Locality: synthetic |
|
_database_code_amcsd 0012058 |
|
6.9909 7.9593 18.8963 90 95.176 90 P2_1/n |
|
atom x y z Biso |
|
Bi1 .5640 .1180 .4216 .87 |
|
Bi2 .5642 .1100 .9142 .90 |
|
Te1 .2768 .1605 .2460 .63 |
|
Te2 .9141 .1194 .5743 .62 |
|
Te3 .2427 .0904 .7548 .95 |
|
Te4 .8932 .1392 .0718 .67 |
|
O1 .941 .170 .4777 .8 |
|
O2 .921 .172 .9707 1.0 |
|
O3 .270 .159 .5845 1.2 |
|
O4 .275 .145 .3448 1.5 |
|
O5 .562 .025 .7635 1.9 |
|
O6 .954 .153 .7507 2.0 |
|
O7 .644 .071 .5413 1.2 |
|
O8 .348 .169 .1076 1.5 |
|
O9 .671 .020 .0365 .9 |
|
O10 .802 .104 .1908 2.7 |
|
O11 .310 .223 .8349 2.2 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Tveitite-(Y) |
|
Bevan D J M, Strahle J, Greis O |
| |
Journal of Solid State Chemistry 44 (1982) 75-81 |
|
The crystal structure of tveitite, an ordered yttrofluorite mineral |
|
Note: a and b adjusted to match reported bond lengths |
|
_database_code_amcsd 0013486 |
|
16.9620 16.9620 9.6664 90 90 120 R-3 |
|
atom x y z occ Biso |
|
Y .0169 .1489 .1786 .60 |
|
Ca1 0 0 .5353 .5 2.8 |
|
Ca2 .2654 .2348 .1557 .1 |
|
Ca3 .1749 .4059 .1672 1.2 |
|
F1 .1958 .0831 .0040 1.0 |
|
F2 .1102 .0975 .2349 1.4 |
|
F3 .0190 .1495 .4146 .1 |
|
F4 .2702 .1024 .2573 .3 |
|
F5 .1576 .2686 .2515 .2 |
|
F6 .0324 .2842 .0971 .4 |
|
F7 .2955 .3838 .0744 .3 |
|
F8 0 0 .060 .5 1.4 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Carminite |
|
Kharisun, Taylor M R, Bevan D J M, Pring A |
 |
Mineralogical Magazine 60 (1996) 805-811 |
|
The crystal structure of carminite: |
|
refinement and bond valence calculations |
|
Locality: Broken Hill, NSW, Australia |
|
_database_code_amcsd 0014520 |
|
16.591 7.580 12.285 90 90 90 Cccm |
|
atom x y z Uiso |
|
Pb1 0 0 .25 .0145 |
|
Pb2 .25 .75 0 .0115 |
|
Fe .37751 .1300 .13516 .0088 |
|
As1 .04286 .7384 0 .0070 |
|
As2 .21189 0 .25 .0054 |
|
O1 .0172 .2469 .1114 .009 |
|
O2 .0923 .5401 0 .011 |
|
O3 .1121 -.1041 0 .013 |
|
O4 .1512 .1758 .2415 .013 |
|
O5 .2723 -.0034 .1390 .0087 |
|
OH6 .1690 .2387 0 .006 |
|
OH7 .4222 0 .25 .011 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kintoreite |
|
Kharisun, Taylor M R, Bevan D J M, Pring A |
|
Mineralogical Magazine 61 (1997) 123-129 |
|
The crystal structure of kintoreite, PbFe3(PO4)2(OH,H2O)6 |
|
Note: occupancy of P and As are switched from the reported values |
|
Locality: Kintore opencut, Broken Hill, New South Wales, Australia |
|
_database_code_amcsd 0014525 |
|
7.3310 7.3310 16.885 90 90 120 R-3m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb -.0180 .0380 .0005 .0833 .03 .06 .03 .0138 .030 .00 -.00 |
|
Fe .5 0 .5 .0118 .0120 .0076 .0144 .0038 .0001 .0002 |
|
P 0 0 .3146 .73 .008 .0090 .0090 .007 .0045 .0 .0 |
|
As 0 0 .3146 .16 .008 .0090 .0090 .007 .0045 .0 .0 |
|
S 0 0 .3146 .11 .008 .0090 .0090 .007 .0045 .0 .0 |
|
O1 0 0 .5946 .019 .020 .020 .018 .01 .0 .0 |
|
O2 .2181 -.2181 -.0528 .019 .026 .026 .014 .019 .000 .000 |
|
OH3 .1283 -.1283 .1331 .010 .006 .006 .013 -.000 .001 -.001 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Mawbyite |
|
Kharisun, Taylor M R, Bevan D J M, Rae A D, Pring A |
|
Mineralogical Magazine 61 (1997) 685-691 |
|
The crystal structure of mawbyite, PbFe2(AsO4)2(OH)2 |
|
Locality: Broken Hill, New South Wales, Australia, type specimen |
|
_database_code_amcsd 0014531 |
|
9.066 6.286 7.564 90 114.857 90 C2/m |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb 0 0 0 .025 .024 .022 .028 0 -.003 0 |
|
Fe .25 .25 .5 .013 .012 .008 .017 .001 -.002 -.013 |
|
As .9176 .5 .2131 .016 .011 .016 .021 0 .001 0 |
|
O1 .3421 .5 .4101 .014 .003 .023 .015 0 -.004 0 |
|
O2 .3103 0 .3553 .018 .005 .021 .028 0 .000 0 |
|
O3 .0370 .2826 .2701 .018 .016 .014 .024 .004 -.001 -.008 |
|
O4 .2197 .5 .0127 .028 .024 .037 .023 0 -.004 0 |
|
H .2973 .5 .2646 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Duftite |
|
Kharisun, Taylor M R, Bevan D J M, Pring A |
|
Mineralogical Magazine 62 (1998) 121-130 |
|
The crystal chemistry of duftite, PbCuAsO4(OH) and the beta-duftite problem |
|
Note: sample is synthetic |
|
_database_code_amcsd 0014532 |
|
7.768 9.211 5.999 90 90 90 P2_12_12_1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb .3764 .1668 .4793 .0102 .0091 .0142 .0018 -.0002 .0002 |
|
Cu .2556 .4963 .7537 .014 .0071 .002 -.0006 -.001 -.0032 |
|
As .3686 -.1934 .5076 .0078 .0047 .007 -.0004 .0020 -.0003 |
|
O2 .142 .285 .765 .017 |
|
O3 .126 .305 .241 .012 |
|
O4 .541 -.085 .494 .012 |
|
O5 .197 -.085 .538 .020 |
|
OH1 .385 .438 .497 .008 |
|
|
| 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.
