大陆
第9楼2009/11/02
澄清一下,前面我讨论时只基于它的低温结构:
Formula sum Fe3 O4
Crystal system trigonal
Space-group R -3 m (166)
Cell parameters a=5.9277(0) Å c=14.5699(2) Å
Ref: Solid State Sciences, 2, 747-53(2000)
谢谢peonytre提醒,室温下Fe3O4是典型的立方、尖晶石结构。
Crystal system cubic
Space-group F d -3 m (227)
Cell parameters a=8.3873(4) Å
Ref: Journal of Solid State Chemistry, 124,52-7(1996)
三方结构中,2.96Å对应(110),立方结构中(室温),对应(220)
因为此可能带来误会,想说声对不起。
liushanhu
第11楼2009/11/02
非常感谢各位的讲解,我有点理解了,只怪我当时懒省事没有把xrd的全部内容放上,害的大家理解失误,下面是它的信息,不过,220不就是110的二级衍射吗,高分辨显示的这个晶面如果是220的话(应该是吧),说该晶面是110也应该可以的吧。
Reference code: 79-0417
Mineral name: Magnetite
ICSD name: Iron Oxide
Empirical formula: Fe3O4
Chemical formula: Fe3O4
Crystallographic parameters
Crystal system: Cubic
Space group: Fd3m
Space group number: 227
a (?): 8.3941
b (?): 8.3941
c (?): 8.3941
Alpha (°): 90.0000
Beta (°): 90.0000
Gamma (°): 90.0000
Calculated density: 5.20
Volume of cell: 591.46
Z: 8.00
RIR: 5.15
Subfiles and Quality
Subfiles: Inorganic
Mineral
Corrosion
Modelled additional pattern
Quality: Calculated (C)
Comments
ICSD collection code: 065339
Test from ICSD: At least one TF implausible.
References
Primary reference: Calculated from ICSD using POWD-12++, (1997)
Structure: Fleet, M.E., J. Solid State Chem., 62, 75, (1986)
Peak list
No. h k l d [A] I [%]
1 1 1 1 4.84634 9.7
2 2 2 0 2.96776 29.3
3 3 1 1 2.53092 100.0
4 2 2 2 2.42317 7.7
5 4 0 0 2.09853 20.4
6 3 3 1 1.92574 0.6
7 4 2 2 1.71344 8.6
8 3 3 3 1.61545 27.9
9 4 4 0 1.48388 36.3
10 5 3 1 1.41886 0.8
11 6 2 0 1.32722 2.8
12 5 3 3 1.28009 6.9
13 6 2 2 1.26546 2.9
14 4 4 4 1.21158 2.2
15 5 5 1 1.17541 0.4
16 6 4 2 1.12171 2.9
17 7 3 1 1.09282 10.1
Stick Pattern