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多事之秋6796

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1樓 2025-03-29 17:19:41

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PDF#71-0946: QM=Calculated(C); d=Calculated; I=Calculated
Potassium Niobium Oxide
K Nb O3
Radiation=CuKa1 Lambda=1.54060 Filter=
Calibration= 2T=22.014-88.218 I/Ic(RIR)=5.52
Ref: Calculated from ICSD using POWD-12++ (1997)

Orthorhombic - Powder Diffraction,  Amm2 (38) Z=2 mp=
CELL: 3.971 x 5.692 x 5.719 <90.0 x 90.0 x 90.0> P.S=oC10 (?)
Density(c)=4.624 Density(m)=3.71A Mwt=180.00 Vol=129.27 F(30)=687.7(.0013,34/0)
Ref: Hewat, A.W.
J. Phys. C: Solid State Phys., v6 p2559 (1973)
Strong Lines: 2.83/X 4.03/5 2.02/4 2.85/3 2.86/3 3.97/2 1.64/2 1.99/2 1.42/2 1.65/2
FIZ=009533: ATF REM    TEM 22 C.
At least one TF implausible.
See PDF 01-071-2171.
Cubic-tetragonal-orthorhombic-rhombohedral ferroelectric transitions in perovskite potassium niobate.
neutron powder profile refinement of the structures e b a2 (AMM2) ABX3
2-Theta d(?) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2
22.014 4.0344 46.4 ( 0 1 1) 11.007 0.1239 1.5574
22.370 3.9710 22.4 ( 1 0 0) 11.185 0.1259 1.5823
31.254 2.8595 27.8 ( 0 0 2) 15.627 0.1749 2.1973
31.406 2.8460 31.4 ( 0 2 0) 15.703 0.1757 2.2077
31.588 2.8301 100.0 ( 1 1 1) 15.794 0.1767 2.2202
38.774 2.3205 1.6 ( 1 0 2) 19.387 0.2155 2.7077
38.900 2.3133 1.0 ( 1 2 0) 19.450 0.2161 2.7162
44.898 2.0172 36.1 ( 0 2 2) 22.449 0.2479 3.1148
45.654 1.9855 17.4 ( 2 0 0) 22.827 0.2518 3.1645
50.443 1.8076 4.0 ( 0 1 3) 25.222 0.2766 3.4759
50.720 1.7984 9.0 ( 1 2 2) 25.360 0.2780 3.4937
51.239 1.7815 7.3 ( 2 1 1) 25.619 0.2807 3.5270
55.834 1.6452 16.6 ( 1 1 3) 27.917 0.3039 3.8191
56.026 1.6401 20.5 ( 1 3 1) 28.013 0.3049 3.8311
56.368 1.6309 9.1 ( 2 0 2) 28.184 0.3066 3.8526
56.463 1.6284 9.8 ( 2 2 0) 28.231 0.3071 3.8586
65.197 1.4297 4.2 ( 0 0 4) 32.599 0.3497 4.3946
65.545 1.4230 4.7 ( 0 4 0) 32.773 0.3514 4.4155
65.961 1.4150 16.8 ( 2 2 2) 32.981 0.3533 4.4403
69.865 1.3452 2.4 ( 1 0 4) 34.932 0.3717 4.6708
69.865 1.3452 2.4 ( 0 3 3) 34.932 0.3717 4.6708
70.201 1.3396 1.5 ( 1 4 0) 35.100 0.3732 4.6904
70.378 1.3367 3.0 ( 2 1 3) 35.189 0.3741 4.7007
70.545 1.3339 3.3 ( 2 3 1) 35.273 0.3748 4.7104
71.172 1.3237 0.6 ( 3 0 0) 35.586 0.3777 4.7468
74.158 1.2776 3.2 ( 0 2 4) 37.079 0.3914 4.9180
74.421 1.2737 9.3 ( 1 3 3) 37.210 0.3925 4.9329
74.421 1.2737 9.3 ( 0 4 2) 37.210 0.3925 4.9329
75.534 1.2577 5.3 ( 3 1 1) 37.767 0.3976 4.9958
78.595 1.2162 1.1 ( 1 2 4) 39.298 0.4111 5.1662
78.838 1.2131 1.0 ( 1 4 2) 39.419 0.4122 5.1796
79.771 1.2012 0.2 ( 3 0 2) 39.885 0.4162 5.2307
83.196 1.1602 3.4 ( 2 0 4) 41.598 0.4309 5.4154
83.514 1.1566 4.3 ( 2 4 0) 41.757 0.4323 5.4324
86.771 1.1214 0.6 ( 0 1 5) 43.385 0.4459 5.6031
87.245 1.1165 0.6 ( 0 5 1) 43.623 0.4478 5.6276
87.547 1.1134 1.4 ( 2 3 3) 43.773 0.4491 5.6431
88.218 1.1067 1.1 ( 3 2 2) 44.109 0.4518 5.6775

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2樓2025-04-02 07:35:41

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PDF#71-0945: QM=Calculated(C); d=Calculated; I=Calculated
Potassium Niobium Oxide
K Nb O3
Radiation=CuKa1 Lambda=1.54060 Filter=
Calibration= 2T=21.857-88.057 I/Ic(RIR)=5.50
Ref: Calculated from ICSD using POWD-12++ (1997)

Tetragonal - Powder Diffraction,  P4mm (99) Z=1 mp=
CELL: 3.996 x 3.996 x 4.063 <90.0 x 90.0 x 90.0> P.S=tP5 (?)
Density(c)=4.606 Density(m)=3.71A Mwt=180.00 Vol=64.88 F(27)=999.9(.0000,27/0)
Ref: Hewat, A.W.
J. Phys. C: Solid State Phys., v6 p2559 (1973)
Strong Lines: 2.85/X 2.83/5 4.00/5 2.00/3 1.64/3 4.06/2 2.03/2 1.42/2 1.65/2 1.79/1
FIZ=009532: ATF REM    TEM 270 C.
At least one TF implausible.
Cubic-tetragonal-orthorhombic-rhombohedral ferroelectric transitions in perovskite potassium niobate.
neutron powder profile refinement of the structures c b2 a (P4MM) ABX3 High-temperature form.
2-Theta d(?) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2
21.857 4.0630 24.7 ( 0 0 1) 10.929 0.1231 1.5464
22.228 3.9960 45.7 ( 1 0 0) 11.114 0.1251 1.5724
31.373 2.8490 100.0 ( 1 0 1) 15.686 0.1755 2.2054
31.639 2.8256 51.0 ( 1 1 0) 15.819 0.1770 2.2237
38.787 2.3198 1.3 ( 1 1 1) 19.393 0.2155 2.7085
44.564 2.0315 18.1 ( 0 0 2) 22.282 0.2461 3.0929
45.353 1.9980 34.7 ( 2 0 0) 22.676 0.2503 3.1447
50.346 1.8109 7.9 ( 1 0 2) 25.173 0.2761 3.4696
50.887 1.7929 7.8 ( 2 0 1) 25.443 0.2789 3.5044
51.066 1.7871 9.3 ( 2 1 0) 25.533 0.2798 3.5159
55.679 1.6494 15.6 ( 1 1 2) 27.839 0.3031 3.8093
56.183 1.6358 29.1 ( 2 1 1) 28.091 0.3057 3.8410
65.468 1.4245 16.2 ( 2 0 2) 32.734 0.3510 4.4108
66.079 1.4128 8.1 ( 2 2 0) 33.039 0.3539 4.4473
69.327 1.3543 0.7 ( 0 0 3) 34.663 0.3692 4.6393
70.069 1.3418 4.8 ( 2 1 2) 35.034 0.3726 4.6827
70.513 1.3344 2.5 ( 2 2 1) 35.256 0.3747 4.7085
70.660 1.3320 1.8 ( 3 0 0) 35.330 0.3754 4.7171
73.816 1.2827 5.7 ( 1 0 3) 36.908 0.3898 4.8985
74.972 1.2657 5.3 ( 3 0 1) 37.486 0.3950 4.9641
75.116 1.2636 5.8 ( 3 1 0) 37.558 0.3957 4.9723
78.205 1.2213 1.0 ( 1 1 3) 39.103 0.4094 5.1447
79.341 1.2066 0.5 ( 3 1 1) 39.671 0.4144 5.2072
83.226 1.1599 6.5 ( 2 2 2) 41.613 0.4311 5.4171
86.802 1.1211 1.3 ( 2 0 3) 43.401 0.4460 5.6047
87.500 1.1139 1.1 ( 3 0 2) 43.750 0.4489 5.6407
88.057 1.1083 1.0 ( 3 2 0) 44.029 0.4511 5.6693

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2樓: Originally posted by gyliu at 2025-04-02 07:35:41
PDF#71-0946: QM=Calculated(C); d=Calculated; I=Calculated
Potassium Niobium Oxide
K Nb O3
Radiation=CuKa1 Lambda=1.54060 Filter=
Calibration= 2T=22.014-88.218 I/Ic(RIR)=5.52
Ref: Calculated fro ...

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