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晶系

单斜晶系蓝铁矿
正交晶系铁橄榄石
四方晶系锐钛矿
三方晶系赤铁矿
六方晶系绿柱石
立方晶系锰铝榴石
最常见的金属晶系

晶体通常可分为七种晶系,即立方晶系六方晶系四方晶系三方晶系正交晶系单斜晶系三斜晶系。其中的立方晶系具有各向同性,属于高级晶族。

晶系的特征

晶系的特征与细分关系如下表:

晶族 晶系 点群的对称性 点群 空间群 布拉菲晶格 特征 晶格系统
三斜 2 2 1 α≠β≠γ≠90°,a≠b≠c 三斜
单斜 1个两次对称轴 或 1个对称面 3 13 2 α=γ=90°,β≠90°,a≠b≠c 单斜
正交/斜方 3个两次对称轴 或 1个两次对称轴+2个对称面 3 59 4 α=β=γ=90°,a≠b≠c 正交/斜方
四方/正方 1个四次对称轴 7 68 2 α=β=γ=90°,a=b≠c 四方/正方
六方 三方 1个三次对称轴 5 7 1 α=β=γ≠90°,a=b=c 三方
18 1 α=β=90°,γ=120°,a=b≠c 六方
六方 1个六次对称轴 7 27
立方/等轴 4个三次对称轴 5 36 3 α=β=γ=90°,a=b=c 立方/等轴
6 7 共计 32 230 14 7


布拉菲晶格

这14种布拉菲晶格可分成7种晶系,每种晶系又可依中心原子在晶胞中的位置不同再分成6种晶格:

  • 简单(P):晶格点只在晶格的八个顶点处
  • 体心(I):除八个顶点处有晶格点外,晶胞中心还有一个晶格点
  • 面心(F):除八个顶点处有晶格点外,在六个面的中央还有一个晶格点
  • 底心(A,B或C):除八个顶点处有晶格点外,在晶胞的一组平行面(A,B或C)的每个面中央还有一个晶格点

7种不同晶系与每种晶系的6种不同晶格共有7 × 6 = 42种组合,但是有些组合其实是相同的,都能组成14种布拉菲晶格。例如,单斜晶系的体心晶格可以通过单斜晶系的底心(C)晶格选择不同的晶轴得到,所以这两种其实是同一种;同样,所有的底心(A)、底心(B)晶格都相当于底心(C)或简单(P)晶格。因此,去除相同的组合,可以得到14种不同的布拉菲晶格,列于下表(晶格图下方是代表该布拉菲晶格的皮尔逊符号,表中空白的格表示于已有的晶格重复):

晶系 点阵常数特征 布拉菲晶格
简单(P) 底心(C) 体心(I) 面心(F)
三斜晶系 a≠b≠c,α≠β≠γ≠90° Triclinic
单斜晶系 a≠b≠c,α=γ=90°≠β Monoclinic, simple Monoclinic, centered
斜方晶系
(正交晶系)
a≠b≠c,α=β=γ=90° Orthohombic, simple Orthohombic, base-centered Orthohombic, body-centered Orthohombic, face-centered
四方晶系 a=b≠c,α=β=γ=90° Tetragonal, simple Tetragonal, body-centered
三方晶系
(棱方晶系)
a=b=c,α=β=γ≠90° Rhombohedral
六方晶系 a=b≠c,α=β=90º,γ=120° Hexagonal
等轴晶系

(立方晶系)
a=b=c,α=β=γ=90° Cubic, simple Cubic, body-centered Cubic, face-centered

每一个单位晶格的体积可以由计算得知。其中,和是晶格向量。各种布拉菲晶格的体积如下:

晶系 体积
三斜晶系
单斜晶系
斜方晶系
四方晶系
三方晶系
六方晶系
等轴晶系

晶体学点群

熊夫利记号

在熊夫利中,点群是用字母符号加上数字下标表示的。下面简述晶体学中使用的这种符号的意义[1]

  • Cn循环群)表示该群有一根n次旋转轴。CnhCn加上一个与旋转轴垂直的镜面(反映)对称元素。Cnv则是Cn加上n个与旋转轴平行的镜面对称元素。
  • S2n(源自德语Spiegel,意思是镜面)表示一根只含有2n次旋转反映轴(简称映轴)。
  • Dn二面体群)表示这个群只有一根n次旋转轴和n根垂直于这根主轴的二重轴。Dnh是加上一个与n次旋转轴垂直的镜面。Dnd则是Dn是加上n个与n次旋转轴平行的镜面。
  • 字母T四面体)表示这个群有四面体的对称性。Td则包括了旋转反映操作,T群本身则不包含旋转反映操作,Th则是T群加上与旋转轴垂直的镜面。
  • 字母O八面体)表示该群具有八面体或者立方体的对称性,可能包括(Oh)或不包括(O)旋转反映操作。

根据晶体局限定理,在二维或三维空间中n的取值只有1、2、3、4和6。

n 1 2 3 4 6
Cn C1 C2 C3 C4 C6
Cnv C1v=C1h C2v C3v C4v C6v
Cnh C1h C2h C3h C4h C6h
Dn D1=C2 D2 D3 D4 D6
Dnh D1h=C2v D2h D3h D4h D6h
Dnd D1d=C2h D2d D3d D4d D6d
S2n S2 S4 S6 S8 S12

D4dD6d实际上是不存在的,因为它们分别包含了n=8和12的旋转反映轴。表格中剩下的27种点群与TTdThOOh共同组成32种晶体学点群。

赫尔曼–莫甘记号

赫尔曼–莫甘记号的一种简略形式广泛用于表示空间群,也用于描述晶体学点群。群的名称列在下表中;点群间相互之关系可见右图。

1 1
2 2m 222 m mm2 mmm
3 3 32 3m 3m
4 4 4m 422 4mm 42m 4mmm
6 6 6m 622 6mm 62m 6mmm
23 m3 432 43m m3m

不同记号关系

晶族 晶系 赫尔曼–莫甘
(完整记号)
赫尔曼–莫甘
(简写记号)
舒勃尼科夫[2] 熊夫利 轨形记号 考克斯特记号
三斜
1 1 C1 11 [ ]+ 1
1 1 Ci = S2 x [2+,2+] 2
单斜
2 2 C2 22 [2]+ 2
m m Cs = C1h * [ ] 2
2/m C2h 2* [2,2+] 4
正交
222 222 D2 = V 222 [2,2]+ 4
mm2 mm2 C2v *22 [2] 4
mmm D2h *222 [2,2] 8
四方
4 4 C4 44 [4]+ 4
4 4 S4 2x [2+,4+] 4
4/m C4h 4* [2,4+] 8
422 422 D4 422 [4,2]+ 8
4mm 4mm C4v *44 [4] 8
42m 42m D2d 2*2 [2+,4] 8
4/mmm D4h *422 [4,2] 16
六方
三方
3 3 C3 33 [3]+ 3
3 3 S6 = C3i 3x [2+,6+] 6
32 32 D3 322 [3,2]+ 6
3m 3m C3v *33 [3] 6
3 3m D3d 2*3 [2+,6] 12
六方
6 6 C6 66 [6]+ 6
6 6 C3h 3* [2,3+] 6
6/m C6h 6* [2,6+] 12
622 622 D6 622 [6,2]+ 12
6mm 6mm C6v *66 [6] 12
6m2 6m2 D3h *322 [3,2] 12
6/mmm D6h *622 [6,2] 24
立方
23 23 T 332 [3,3]+ 12
3 m3 Th 3*2 [3+,4] 24
432 432 O 432 [4,3]+ 24
43m 43m Td *332 [3,3] 24
3 m3m Oh *432 [4,3] 48

其它维度

二维

二维空间具有相同数量的晶系、晶族和晶格。在二维空间有四种晶系:斜晶系、矩晶系、方晶系、六方晶系。

四维

‌四维晶胞由四个边长(a、b、c、d)和六个轴间角(α、β、γ、δ、ε、ζ)定义。以下晶格参数条件定义了23种晶系。

四维晶系
No. 晶系(1985年Whittaker命名[3] 边长 轴间角
1 Hexaclinic abcd αβγδεζ ≠ 90°
2 Triclinic abcd αβγ ≠ 90°
δ = ε = ζ = 90°
3 Diclinic abcd α ≠ 90°
β = γ = δ = ε = 90°
ζ ≠ 90°
4 Monoclinic abcd α ≠ 90°
β = γ = δ = ε = ζ = 90°
5 Orthogonal abcd α = β = γ = δ = ε = ζ = 90°
6 Tetragonal monoclinic ab = cd α ≠ 90°
β = γ = δ = ε = ζ = 90°
7 Hexagonal monoclinic ab = cd α ≠ 90°
β = γ = δ = ε = 90°
ζ = 120°
8 Ditetragonal diclinic a = db = c α = ζ = 90°
β = ε ≠ 90°
γ ≠ 90°
δ = 180° − γ
9 Ditrigonal (dihexagonal) diclinic a = db = c α = ζ = 120°
β = ε ≠ 90°
γδ ≠ 90°
cos δ = cos β − cos γ
10 Tetragonal orthogonal ab = cd α = β = γ = δ = ε = ζ = 90°
11 Hexagonal orthogonal ab = cd α = β = γ = δ = ε = 90°, ζ = 120°
12 Ditetragonal monoclinic a = db = c α = γ = δ = ζ = 90°
β = ε ≠ 90°
13 Ditrigonal (dihexagonal) monoclinic a = db = c α = ζ = 120°
β = ε ≠ 90°
γ = δ ≠ 90°
cos γ = −1/2cos β
14 Ditetragonal orthogonal a = db = c α = β = γ = δ = ε = ζ = 90°
15 Hexagonal tetragonal a = db = c α = β = γ = δ = ε = 90°
ζ = 120°
16 Dihexagonal orthogonal a = db = c α = ζ = 120°
β = γ = δ = ε = 90°
17 Cubic orthogonal a = b = cd α = β = γ = δ = ε = ζ = 90°
18 Octagonal a = b = c = d α = γ = ζ ≠ 90°
β = ε = 90°
δ = 180° − α
19 Decagonal a = b = c = d α = γ = ζβ = δ = ε
cos β = −1/2 − cos α
20 Dodecagonal a = b = c = d α = ζ = 90°
β = ε = 120°
γ = δ ≠ 90°
21 Diisohexagonal orthogonal a = b = c = d α = ζ = 120°
β = γ = δ = ε = 90°
22 Icosagonal (icosahedral) a = b = c = d α = β = γ = δ = ε = ζ
cos α = −1/4
23 Hypercubic a = b = c = d α = β = γ = δ = ε = ζ = 90°

由1985年Whittaker命名[3]

名字几乎与Brown等人[4]的命名相同,只有9、13、22名称不同。括号是他们命的名。

四维晶族、晶系、晶格系之间的关系如下表所示。[3][4]


四维晶体系统
晶族序 晶族(英文) 晶系(英文) 晶系序 点群 空间群 布拉菲晶格 晶格
I Hexaclinic 1 2 2 1 Hexaclinic P
II Triclinic 2 3 13 2 Triclinic P, S
III Diclinic 3 2 12 3 Diclinic P, S, D
IV Monoclinic 4 4 207 6 Monoclinic P, S, S, I, D, F
V Orthogonal Non-axial orthogonal 5 2 2 1 Orthogonal KU
112 8 Orthogonal P, S, I, Z, D, F, G, U
Axial orthogonal 6 3 887
VI Tetragonal monoclinic 7 7 88 2 Tetragonal monoclinic P, I
VII Hexagonal monoclinic Trigonal monoclinic 8 5 9 1 Hexagonal monoclinic R
15 1 Hexagonal monoclinic P
Hexagonal monoclinic 9 7 25
VIII Ditetragonal diclinic* 10 1 (+1) 1 (+1) 1 (+1) Ditetragonal diclinic P*
IX Ditrigonal diclinic* 11 2 (+2) 2 (+2) 1 (+1) Ditrigonal diclinic P*
X Tetragonal orthogonal Inverse tetragonal orthogonal 12 5 7 1 Tetragonal orthogonal KG
351 5 Tetragonal orthogonal P, S, I, Z, G
Proper tetragonal orthogonal 13 10 1312
XI Hexagonal orthogonal Trigonal orthogonal 14 10 81 2 Hexagonal orthogonal R, RS
150 2 Hexagonal orthogonal P, S
Hexagonal orthogonal 15 12 240
XII Ditetragonal monoclinic* 16 1 (+1) 6 (+6) 3 (+3) Ditetragonal monoclinic P*, S*, D*
XIII Ditrigonal monoclinic* 17 2 (+2) 5 (+5) 2 (+2) Ditrigonal monoclinic P*, RR*
XIV Ditetragonal orthogonal Crypto-ditetragonal orthogonal 18 5 10 1 Ditetragonal orthogonal D
165 (+2) 2 Ditetragonal orthogonal P, Z
Ditetragonal orthogonal 19 6 127
XV Hexagonal tetragonal 20 22 108 1 Hexagonal tetragonal P
XVI Dihexagonal orthogonal Crypto-ditrigonal orthogonal* 21 4 (+4) 5 (+5) 1 (+1) Dihexagonal orthogonal G*
5 (+5) 1 Dihexagonal orthogonal P
Dihexagonal orthogonal 23 11 20
Ditrigonal orthogonal 22 11 41
16 1 Dihexagonal orthogonal RR
XVII Cubic orthogonal Simple cubic orthogonal 24 5 9 1 Cubic orthogonal KU
96 5 Cubic orthogonal P, I, Z, F, U
Complex cubic orthogonal 25 11 366
XVIII Octagonal* 26 2 (+2) 3 (+3) 1 (+1) Octagonal P*
XIX Decagonal 27 4 5 1 Decagonal P
XX Dodecagonal* 28 2 (+2) 2 (+2) 1 (+1) Dodecagonal P*
XXI Diisohexagonal orthogonal Simple diisohexagonal orthogonal 29 9 (+2) 19 (+5) 1 Diisohexagonal orthogonal RR
19 (+3) 1 Diisohexagonal orthogonal P
Complex diisohexagonal orthogonal 30 13 (+8) 15 (+9)
XXII Icosagonal 31 7 20 2 Icosagonal P, SN
XXIII Hypercubic Octagonal hypercubic 32 21 (+8) 73 (+15) 1 Hypercubic P
107 (+28) 1 Hypercubic Z
Dodecagonal hypercubic 33 16 (+12) 25 (+20)
共计 23 (+6) 33 (+7) 227 (+44) 4783 (+111) 64 (+10) 33 (+7)


参见

参考资料

  • Cornelis Klein, Barbara Dutrow, 2007. Manual of Mineral Science, 23rd Edition
  1. ^ (简体中文)麦松威、周公度、李伟基. 高等无机结构化学 第二版. 北京: 北京大学出版社. 2006. ISBN 9787301047934. 
  2. ^ (英文) 存档副本. [2011-11-25]. (原始内容存档于2013-07-04). 
  3. ^ 3.0 3.1 3.2 Whittaker, E. J. W. An Atlas of Hyperstereograms of the Four-Dimensional Crystal Classes. 牛津: 牛津大学出版社. 1985. ISBN 978-0-19-854432-6. OCLC 638900498. 
  4. ^ 4.0 4.1 Brown, H.; Bülow, R.; Neubüser, J.; Wondratschek, H.; Zassenhaus, H. Crystallographic Groups of Four-Dimensional Space. 纽约: Wiley. 1978. ISBN 978-0-471-03095-9. OCLC 939898594. 

外部链接

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晶系
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