| 查看: 889 | 回复: 12 | |||
| 当前主题已经存档。 | |||
| 当前只显示满足指定条件的回帖，点击这里查看本话题的所有回帖 | |||
lll79334531木虫 (小有名气)
|
[交流]
10个金币，求助晶格常数和原子坐标
|
||
|
有哪位可以帮忙计算或是查下： CdSe和CdS的原子坐标 Cu，Ba，Ｎd的晶格常数 非常感谢，非常感谢  |
回复此楼» 猜你喜欢
中南大学易小艺课题组诚招2026申请-考核制博士生
已经有0人回复
-
海南师范大学招收化学博士（光电功能材料课题组招收博士研究生）
已经有10人回复
-
无机化学论文润色/翻译怎么收费?
已经有100人回复
-
求助几个团簇的cif
已经有0人回复
-
急求该反应的详细机理
已经有5人回复
-
【Ei | Scopus 双检索】2026年智能交通与未来出行国际会议（CSTFM 2026）
已经有0人回复
-
【EI|Scopus 双检索】2026年第六届机器人与人工智能国际会议（JCRAI 2026）
已经有0人回复
lindlar0078
木虫 (著名写手)
- 应助: 20 (小学生)
- 金币: 2562
- 散金: 1
- 红花: 6
- 帖子: 1540
- 在线: 698.1小时
- 虫号: 277938
- 注册: 2006-09-09
- 专业: 无机材料化学
★ ★ ★ ★
lll79334531(金币+4,VIP+0):非常感谢您的帮助 4-9 19:17
lll79334531(金币+4,VIP+0):非常感谢您的帮助 4-9 19:17
|
*data for ICSD #53247 Coll Code 53247 Rec Date 2002/04/01 Mod Date 2006/04/01 Chem Name Copper Structured Cu Sum Cu1 ANX N Min Name Copper D(calc) 8.95 Title High-temperature expansion of six metallic elements measured by dilatation method and X-ray diffraction Author(s) Suh, I.-K.;Ohta, H.;Waseda, Y. Reference Journal of Materials Science (1988), 23, 757-760 Annales Academiae Scientiarum Fennicae, Series A6: Physica (1967), 223, 1-10 Unit Cell 3.613 3.613 3.613 90. 90. 90. Vol 47.16 Z 4 Space Group F m -3 m SG Number 225 Cryst Sys cubic Pearson cF4 Wyckoff a Red Cell F 2.554 2.554 2.554 60 60 60 11.791 Trans Red 0.500 0.500 0.000 / 0.000 0.500 0.500 / 0.500 0.000 0.500 Comments Cell at 777 K: 3.644, at 1076 K: 3.667, at 1343 K: 3.692, m.p. 1356.6 K Cell from 2nd reference: 3.61443 at 296 K, 3.6247 at 449 K, 3.6321 at 550 K, 3.6357 at 607 K, 3.6483 at 779 K Compound with mineral name: Copper The structure has been assigned a PDF number (calculated powder diffraction data): 01-070-3039 The structure has been assigned a PDF number (experimental powder diffraction data): 4-836 Temperature in Kelvin: 293 Structure type : Cu 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 Cu 1 +0 4 a 0 0 0 1. 0 *end for ICSD #53247 |
7楼2009-04-09 19:11:48
lindlar0078
木虫 (著名写手)
- 应助: 20 (小学生)
- 金币: 2562
- 散金: 1
- 红花: 6
- 帖子: 1540
- 在线: 698.1小时
- 虫号: 277938
- 注册: 2006-09-09
- 专业: 无机材料化学
★
lll79334531(金币+1,VIP+0):非常感谢您的帮助 4-9 19:15
lll79334531(金币+1,VIP+0):非常感谢您的帮助 4-9 19:15
|
*data for ICSD #415786 Coll Code 415786 Rec Date 2006/10/01 Chem Name Cadmium Selenide Structured Cd Se Sum Cd1 Se1 ANX AX D(calc) 5.67 Title The high-pressure behaviuor of Cd Se up to 3 GPa and the orientation relations between its wurtzite- and Na Cl-type modifications Author(s) Sowa, H. Reference Solid State Sciences (2005), 7, 1384-1489 Unit Cell 4.2982(3) 4.2982(3) 7.0084(2) 90.00 90.00 120.00 Vol 112.13 Z 2 Space Group P 63 m c SG Number 186 Cryst Sys hexagonal Pearson hP4 Wyckoff b2 R Value .0213 Red Cell P 4.298 4.298 7.008 90 90 119.999 112.13 Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000 Comments Pressure in MPa: 0.1 Structure type : ZnS(2H) X-ray diffraction from single crystal Atom # OX SITE x y z SOF H Cd 1 +2 2 b 0.3333 0.6667 0.0000 1 0 Se 1 -2 2 b 0.3333 0.6667 0.37586(11) 1 0 Lbl Type U11 U22 U33 U12 U13 U23 Cd1 Cd2+ 0.0206(5) 0.0206(5) 0.0209(3) 0.0103(2) 0.000 0.000 Se1 Se2- 0.0152(6) 0.0152(6) 0.0172(4) 0.0076(3) 0.000 0.000 *end for ICSD #415786 |
2楼2009-04-09 19:09:06
lindlar0078
木虫 (著名写手)
- 应助: 20 (小学生)
- 金币: 2562
- 散金: 1
- 红花: 6
- 帖子: 1540
- 在线: 698.1小时
- 虫号: 277938
- 注册: 2006-09-09
- 专业: 无机材料化学
★
lll79334531(金币+1,VIP+0):非常感谢您的帮助 4-9 19:15
lll79334531(金币+1,VIP+0):非常感谢您的帮助 4-9 19:15
|
*data for ICSD #41528 Coll Code 41528 Rec Date 1999/11/30 Mod Date 2006/10/01 Chem Name Cadmium Selenide Structured Cd Se Sum Cd1 Se1 ANX AX D(calc) 5.66 Title Optical-phonon behavior in Zn1-x Mnx Se: zinc-blende and wurtzite structures Author(s) Lao, P.D.;Guo, Y.;Siu, G.G.;Shen, S.C. Reference Physical Review, Serie 3. B - Condensed Matter (18,1978-) (1993), 48, 11701-11704 Phase Transition (1992), 38, 127-220 Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy (1989), 25(10), 1386-1389 Unit Cell 6.077 6.077 6.077 90. 90. 90. Vol 224.42 Z 4 Space Group F -4 3 m SG Number 216 Cryst Sys cubic Pearson cF8 Wyckoff c a Red Cell F 4.297 4.297 4.297 60 60 60 56.106 Trans Red 0.500 0.500 0.000 / 0.000 0.500 0.500 / 0.500 0.000 0.500 Comments Stable up to 368 K, above 368 K P63mc (2nd ref., Tomaszewski), cf. 41825 Cell from 2nd ref. (Kulakov et al.): 6.00 The structure has been assigned a PDF number (calculated powder diffraction data): 01-088-2346 The structure has been assigned a PDF number (experimental powder diffraction data): 19-191 Structure type : ZnS(cF8) 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 Cd 1 +2 4 a 0 0 0 1. 0 Se 1 -2 4 c 0.25 0.25 0.25 1. 0 *end for ICSD #41528 |
3楼2009-04-09 19:09:36
lindlar0078
木虫 (著名写手)
- 应助: 20 (小学生)
- 金币: 2562
- 散金: 1
- 红花: 6
- 帖子: 1540
- 在线: 698.1小时
- 虫号: 277938
- 注册: 2006-09-09
- 专业: 无机材料化学
★
lll79334531(金币+1,VIP+0):非常感谢您的帮助 4-9 19:15
lll79334531(金币+1,VIP+0):非常感谢您的帮助 4-9 19:15
|
*data for ICSD #52833 Coll Code 52833 Rec Date 2003/04/01 Chem Name Cadmium Selenide - Hp Structured Cd Se Sum Cd1 Se1 ANX AX D(calc) 7.47 Title Structure of the high-pressure phase of Cd S, Cd Se and In Sb Author(s) Rooymans, C.J.M. Reference Physics Letters (1963), 4, 186-187 Science (1963), 142, 672-673 Unit Cell 5.54(2) 5.54 5.54 90. 90. 90. Vol 170.03 Z 4 Space Group F m -3 m SG Number 225 Cryst Sys cubic Pearson cF8 Wyckoff b a Red Cell F 3.917 3.917 3.917 60 60 60 42.508 Trans Red 0.500 0.500 0.000 / 0.000 0.500 0.500 / 0.500 0.000 0.500 Comments Cell from 2nd reference: 5.49 at 3.2 GPa, stable above 3.2 GPa The structure has been assigned a PDF number (calculated powder diffraction data): 01-071-4157 Pressure in MPa: 3000 Structure type : NaCl X-ray diffraction (powder) No R value given in the paper. At least one temperature factor missing in the paper. Atom # OX SITE x y z SOF H Cd 1 +2 4 a 0 0 0 1. 0 Se 1 -2 4 b 0.5 0.5 0.5 1. 0 *end for ICSD #52833 |
4楼2009-04-09 19:10:04