American Mineralogist Crystal Structure Database

2 matching records for this search.

SnxPt4SnySb12-y
 
Liang Y, Borrmann H, Baenitz M, Schnelle W, Budnyk S, Zhao J T, Grin Y
 
Inorganic Chemistry 47 (2008) 9489-9496
SnxPt4SnySb12-y: A skutterudite with covalently bonded filler
Locality: synthetic
_database_code_amcsd 0017604
9.3887 9.3887 9.3887 90 90 90 Im3
atom      x    y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pt      .25  .25    .25      .00686 .00686 .00686 .00686 .00152 .00152 .00152
Sb   .35450    0 .15801 .449 .00987  .0125  .0068  .0103      0  .0021      0
Sn1  .33395    0 .15284 .531 .00905  .0131  .0057  .0083      0 .00063      0
Sn2    .076 .021   .076 .038   .032   .029   .038   .030  -.012  -.010  -.007
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Phosphorus
 
Simon A, Borrmann H, Craubner H
 
Phosphorus and Sulfur and the Related Elements 30 (1987) 507-510
Crystal structure of ordered white phosphorus (beta-P)
Locality: synthetic
Sample: at T = 158.15 K
Note: beta phase; transforms from alpha phase at T = 196.75 K
_database_code_amcsd 0014997
11.450 5.503 11.261 71.84 90.37 71.56 P-1
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(2,3) U(1,3) U(1,2)
Pl   .67802 .39370 .00247 .0515  .0360  .0496  .0587 -.0196 -.0048  .0005
P2   .52922 .88513 .17722 .0520  .0639  .0528  .0305  .0003 -.0045 -.0218
P3   .18938 .92202 .05123 .0513  .0660  .0445  .0485 -.0294 -.0047 -.0115
P4   .55505 .84909 .37360 .0501  .0640  .0472  .0462 -.0289 -.0002 -.0151
P5   .02641 .34671 .31490 .0496  .0392  .0627  .0501 -.0222 -.0093 -.0180
P6   .87186 .35722 .01126 .0506  .0510  .0486  .0628 -.0191  .0051 -.0303
P7   .67157 .53535 .30808 .0560  .0409  .0472  .0709 -.0251  .0006  .0026
P8   .47750 .58127 .31956 .0516  .0534  .0467  .0567 -.0076 -.0017 -.0291
P9   .13526 .55621 .37416 .0480  .0598  .0353  .0576 -.0216  .0057 -.0216
P10  .81346 .05347 .14518 .0526  .0644  .0481  .0323 -.0001 -.0008 -.0148
P1l  .14244 .15713 .49419 .0480  .0595  .0465  .0305 -.0040 -.0004 -.0163
P12  .22608 .20514 .31893 .0505  .0439  .0523  .0515 -.0239  .0135 -.0041
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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