24小时热门版块排行榜

返回列表

attdey

木虫 (著名写手)

应助: 6 (幼儿园)
金币: 6552.8
散金: 1118
红花: 1
沙发: 1
帖子: 1243
在线: 365.1小时
虫号: 555813
注册: 2008-05-09
专业: 绿色有机化学

[交流] 【求助】求助晶体结构已有1人参与

哪位童鞋知道六方 B4C晶体的空间群和原子坐标啊画晶体结构图用越详细越好，有10的金币的辛苦费

回复此楼

» 猜你喜欢

1楼 2010-04-29 09:54:00

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

zbdfwq5777

木虫之王 (文学泰斗)

至尊山羊

CMEI: 3
应助: 820 (博后)
贵宾: 0.902
金币: 166542
散金: 6682
红花: 141
沙发: 435
帖子: 126445
在线: 7408.7小时
虫号: 664055
注册: 2008-11-29
专业: 敏感电子学与传感器

B4C

★ ★ ★
帝夫(金币+3):感谢回帖交流~ 2010-04-29 10:24
attdey(金币+10):谢谢了能告诉我你是怎么查到的吗？ 2010-04-29 20:05

*data for ICSD #29093
Coll Code 29093
Rec  Date 1980/01/01
Mod  Date 2007/04/01
Chem Name Boron(I) Carbide
Structured  B4 C
Sum       C1 B4
ANX       A4X
D(calc)    2.5
Title    The crystal structure of boron carbide
Author(s) Clark, H.K.;Hoard, J.L.
Reference Journal of the American Chemical Society
         (1943), 65, 2115-2119
         Zhurnal Fizicheskoi Khimii
         (1943), 17, 326-335
Unit Cell 5.61 5.61 12.14 90. 90. 120.
Vol       330.88
Z          9
Space Group R -3 m H
SG Number 166
Cryst Sys trigonal/rhombohedral
Pearson    hR15
Wyckoff    h2 c b
Red Cell RH 5.183 5.183 5.183 65.525 65.525 65.525 110.294
Trans Red 0.333 -0.333 -0.333 / -0.667 -0.333 -0.333 / 0.333 0.667 -0.333
Comments Cell from 2nd reference: 5.63, 12.14, z(B1) was given as
         .36, cf, 23923
         AE: B1: B4 C54; B2: B5 C; Ca: B6 C2; C2: B6 C
         The structure has been assigned a PDF number (calculated
         powder diffraction data): 01-075-0424
         The structure has been assigned a PDF number (experimental
         powder diffraction data): 35-798
         Structure type prototype : B4C
         Structure type : B4C
         X-ray diffraction from single crystal
         No R value given in the paper.
         At least one temperature factor missing in the paper.
Atom  # OX SITE    x          y          z          SOF    H
B 1  +1 18 h  0.1667    -.1667    0.26          1.       0
B 2  +1 18 h  0.106    -.106    0.113       1.       0
C 1  -4 6 c 0          0          0.385       1.       0
C 2  -4 3 b 0          0          0.5          1.       0
*end for ICSD #29093