New observation of phase transition sequence in NBT
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New observation of phase transition sequence in NBT
2theta
8.55 8.6 8.65
0
50000
2theta
12.15 12.2 12.25
-10000
0
10000
20000
2theta
10.5 10.55 10.6
0
10000
2theta
9.6 9.8 10 10.2
-1000
-500
0
Temp (ºC)
Space group
Phase Frac.
a (Å) b (Å) c (Å) β (º) Fit Values
25 Cc 73% 9.526889 5.482203 5.508492 125.3630 Rp = 4.97%wRp = 6.87%Pm-3m 27% 3.885003 3.885003 3.885003 90
100 Cc 38% 9.521845 5.486220 5.5130 125.2941 Rp = 4.67%wRp = 6.20%Pm-3m 62% 3.887351 3.887351 3.887351 90
250 Cc 13% 9.53996 5.500718 5.513608 125.2970 Rp = 3.95%wRp = 5.01%Pm-3m 87% 3.893460 3.893460 3.893460 90
300 P4bm - 5.507792 5.507792 3.899572 90 Rp = 4.06%wRp = 5.11%
400 P4bm - 5.515262 5.515262 3.905851 90 Rp = 3.91%wRp = 4.90%
600 Pm-3m - 3.912135 3.912135 3.912135 90 Rp = 4.24%wRp = 5.70%
Pm-3mCc
600ºC 400ºC300ºC250ºC100ºC25ºC
110 111 200
½(310) ½(311)
110 111 200½(311)
High Resolution Diffraction Rietveld refinement of 250ºC Pattern