lin_l
第1楼2006/06/29
Fe的图谱之一
PDF#52-0513: QM=Calculated; d=Calculated; I=Calculated
Iron
Fe
Radiation=CuKa1 Lambda=1.5406 Filter=
Calibration= d-Cutoff= I/Ic(RIR)=7.98
Ref= Kohlhaas, R., Dunner, P., Schmits-Pranghe, N.
Z. Angew. Phys., 23 245 (1967)
Cubic - Single Crystal, Fm-3m (225) Z=4 mp=
Cell=3.6599 Pearson=cF4 ($GG Cu)
Density(c)=7.565 Density(m)=7.86A Mwt=55.85 Vol=49.02 F(8)=999.9(.0003,8)
Ref= Ibid.
Strong Line: 2.11/X 1.83/4 1.29/2 1.10/2 0.84/1 0.82/1 1.06/1 0.92/1 0.00/1 0.00/1
NOTE: High-temperature phase stable between 1183 K and 1663 K.
Pattern taken at 1076 C.
Reference reports: a=3.6508 at 1223 K, a=3.6535 at 1276 K, a=3.666 at 1440 K and a=3.6810 at 1634 K.
d(A) I(f) I(v) h k l n^2 2-Theta Theta 1/(2d) 2pi/d
2.113 100.0 100.0 1 1 1 3 42.758 21.379 0.2366 2.9735
1.829 42.8 49.4 2 0 0 4 49.787 24.893 0.2732 3.4335
1.294 17.9 29.2 2 2 0 8 73.066 36.533 0.3864 4.8557
1.103 16.8 32.2 3 1 1 11 88.539 44.269 0.4531 5.6939
1.056 4.6 9.2 2 2 2 12 93.617 46.809 0.4733 5.9471
0.915 2.0 4.6 4 0 0 16 114.674 57.337 0.5465 6.8671
0.839 6.6 16.6 3 3 1 19 133.096 66.548 0.5955 7.4832
0.818 6.3 16.3 4 2 0 20 140.517 70.259 0.6110 7.6776
lin_l
第2楼2006/06/29
没法子,我还传不了附件
怎么贴图啊?
PDF#33-0664: QM=Star(+); d=Diffractometer; I=Diffractometer
Hematite, syn
Fe2 O3 (Dark reddish brown)
Radiation=CuKa1 Lambda=1.540598 Filter=
Calibration=Internal(Ag) d-Cutoff= I/Ic(RIR)=2.4
Ref= Natl. Bur. Stand. (U.S.) Monogr. 25, 18 37 (1981)
Rhombohedral - (Unknown), R-3c (167) Z=6 mp=1350-1360$DE
Cell=5.0356x13.7489 Pearson=hR10 (Al2 O3)
Density(c)=5.270 Density(m)=5.260 Mwt=159.69 Vol=301.93 F(30)=69.1(.0111,39)
Ref= Ibid.
Strong Line: 2.70/X 2.52/7 1.69/5 1.84/4 3.68/3 1.49/3 1.45/3 2.21/2 1.60/1 1.31/1
NOTE: Pattern reviewed by Syvinski, W., McCarthy, G., North Dakota State Univ., Fargo, North Dakota, USA, ICDD Grant-in-Aid (1990).
Agress well with experimental and calculated patterns.
Sample from Pfizer, Inc., New York, USA, heated at 800 C for 3 days.
Additional weak reflection [indicated by brackets] was observed.
Also called: crocus mantis.
To replace 00-013-0534 and validated by calculated pattern 00-024-0072.
Also called: venetian red.
Opaque mineral optical data on specimen from Elba, R1R0=30.2, RR2Re=26.1, Disp.=16, VHN=1038 (mean at 100, 200, 300), Color values=1 .299, .309, 29.8, 2 .299, .309, 25.7.
Also called: ferrite.
Also called: indian red.
Also called: crocus.
See ICSD 64599 (PDF 01-079-0007).
d(A) I(f) I(v) h k l n^2 2-Theta Theta 1/(2d) 2pi/d
3.684 30.0 22.0 0 1 2 24.138 12.069 0.1357 1.7055
2.700 100.0 100.0 1 0 4 33.152 16.576 0.1852 2.3271
2.519 70.0 75.0 1 1 0 35.611 17.806 0.1985 2.4943
2.292 3.0 4.0 0 0 6 39.276 19.638 0.2182 2.7414
2.207 20.0 24.0 1 1 3 40.854 20.427 0.2266 2.8469
2.077 3.0 4.0 2 0 2 43.518 21.759 0.2406 3.0238
1.840 40.0 59.0 0 2 4 49.479 24.740 0.2717 3.4137
1.694 45.0 72.0 1 1 6 54.089 27.045 0.2951 3.7089
1.636 1.0 2.0 2 1 1 56.150 28.075 0.3055 3.8389
1.603 5.0 8.0 1 2 2 57.428 28.714 0.3119 3.9189
1.599 10.0 17.0 0 1 8 57.589 28.794 0.3127 3.9290
1.485 30.0 55.0 2 1 4 62.449 31.225 0.3365 4.2285
1.453 30.0 56.0 3 0 0 63.989 31.995 0.3439 4.3219
1.413 1.0 2.0 1 2 5 66.026 33.013 0.3537 4.4442
1.349 3.0 6.0 2 0 8 69.599 34.799 0.3705 4.6552
1.311 10.0 21.0 1 0 10 71.935 35.968 0.3812 4.7908
1.306 6.0 12.0 1 1 9 72.260 36.130 0.3827 4.8095
1.259 8.0 17.0 2 2 0 75.428 37.714 0.3971 4.9898
1.227 4.0 9.0 3 0 6 77.727 38.864 0.4073 5.1183
1.214 2.0 4.0 2 2 3 78.758 39.379 0.4118 5.1752
1.189 5.0 11.0 1 2 8 80.709 40.354 0.4203 5.2818
1.163 5.0 12.0 0 2 10 82.937 41.468 0.4298 5.4016
1.141 7.0 17.0 1 3 4 84.913 42.457 0.4382 5.5063
1.103 7.0 17.0 2 2 6 88.539 44.269 0.4531 5.6939
1.076 2.0 5.0 0 4 2 91.342 45.671 0.4643 5.8351
1.055 7.0 18.0 2 1 10 93.712 46.856 0.4736 5.9517
1.042 1.0 3.0 1 1 12 95.236 47.618 0.4795 6.0253
1.039 3.0 8.0 4 0 4 95.659 47.830 0.4811 6.0456
0.989 4.0 11.0 3 1 8 102.282 51.141 0.5055 6.3518
0.971 1.0 3.0 2 2 9 104.910 52.455 0.5147 6.4675
0.960 5.0 14.0 3 2 4 106.619 53.309 0.5205 6.5409
0.958 4.0 11.0 0 1 14 107.021 53.511 0.5219 6.5580
0.951 5.0 14.0 4 1 0 108.086 54.043 0.5254 6.6028
0.931 2.0 6.0 4 1 3 111.514 55.757 0.5366 6.7431
0.920 2.0 6.0 0 4 8 113.590 56.795 0.5431 6.8251
0.908 5.0 15.0 1 3 10 116.040 58.020 0.5506 6.9190
0.899 1.0 3.0 3 0 12 117.753 58.877 0.5557 6.9829
0.895 3.0 9.0 2 0 14 118.692 59.346 0.5584 7.0172
0.878 6.0 18.0 4 1 6 122.425 61.213 0.5689 7.1489
0.864 1.0 3.0 2 3 8 125.923 62.962 0.5782 7.2655
0.854 3.0 9.0 4 0 10 128.752 64.376 0.5853 7.3548
0.843 5.0 16.0 1 2 14 131.871 65.935 0.5927 7.4481
0.839 3.0 10.0 3 3 0 133.234 66.617 0.5958 7.4871
0.808 4.0 13.0 3 2 10 144.448 72.224 0.6181 7.7676
0.801 4.0 13.0 2 4 4 147.961 73.981 0.6239 7.8403