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jiewei专家顾问 (著名写手)
小才
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[求助]
求WS2 已有1人参与
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| 求一个WS2的cif文件。 非常感谢！ |
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bible2
版主 (职业作家)
- CMEI: 3
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【答案】应助回帖
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感谢参与，应助指数 +1
jiewei: 金币+50, ★★★★★最佳答案, 非常感谢 2014-03-13 21:12:09
感谢参与，应助指数 +1
jiewei: 金币+50, ★★★★★最佳答案, 非常感谢 2014-03-13 21:12:09
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*data for ICSD #202366 Coll Code 202366 Rec Date 1988/05/17 Mod Date 1999/01/19 Chem Name Tungsten(IV) Sulfide - 2h Structured W S2 Sum S2 W1 ANX AX2 Min Name Tungstenite 2H D(calc) 7.76 Title Crystal structures of tungsten disulfide and diselenide Author(s) Schutte, W.J.;de Boer, J.L.;Jellinek, F. Reference Journal of Solid State Chemistry (1987), 70, 207-209 Unit Cell 3.1532(4) 3.1532(4) 12.323(5) 90. 90. 120. Vol 106.11 Z 2 Space Group P 63/m m c SG Number 194 Cryst Sys hexagonal Pearson hP6 Wyckoff f c R Value .064 Red Cell P 3.153 3.153 12.323 90 90 120 106.108 Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000 Comments Molybdenite group Compound with mineral name: Tungstenite 2H The structure has been assigned a PDF number (calculated powder diffraction data): 01-084-1398 The structure has been assigned a PDF number (experimental powder diffraction data): 8-237 Structure type : MoS2(4H) X-ray diffraction from single crystal At least one temperature factor missing in the paper. Atom # OX SITE x y z SOF H W 1 +4 2 c 0.3333 0.6667 0.25 1. 0 S 1 -2 4 f 0.3333 0.6667 0.6225(6) 1. 0 *end for ICSD #202366 |
2楼2014-03-13 15:01:25
bible2
版主 (职业作家)
- CMEI: 3
- 应助: 545 (博士)
- 贵宾: 0.093
- 金币: 32073.7
- 散金: 1030
- 红花: 174
- 沙发: 1
- 帖子: 4801
- 在线: 2833.9小时
- 虫号: 265520
- 注册: 2006-07-15
- 专业: 无机非金属类光电信息与功
- 管辖: 无机非金属
【答案】应助回帖
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*data for ICSD #202367 Coll Code 202367 Rec Date 1988/05/17 Mod Date 1999/01/19 Chem Name Tungsten(IV) Sulfide - 3r Structured W S2 Sum S2 W1 ANX AX2 Min Name Tungstenite 3R D(calc) 7.73 Title Crystal structures of tungsten disulfide and diselenide Author(s) Schutte, W.J.;de Boer, J.L.;Jellinek, F. Reference Journal of Solid State Chemistry (1987), 70, 207-209 Unit Cell 3.158(1) 3.158(1) 18.490(10) 90. 90. 120. Vol 159.7 Z 3 Space Group R 3 m H SG Number 160 Cryst Sys trigonal/rhombohedral Pearson hR3 Wyckoff a3 R Value .045 Red Cell RH 3.158 3.158 6.427 75.778 75.778 60 53.232 Trans Red 1.000 0.000 0.000 / 1.000 1.000 0.000 / 0.667 0.333 0.333 Comments Molybdenite group Compound with mineral name: Tungstenite 3R The structure has been assigned a PDF number (calculated powder diffraction data): 01-084-1399 The structure has been assigned a PDF number (experimental powder diffraction data): 35-651 Structure type : MoS2(3R) X-ray diffraction from single crystal At least one temperature factor missing in the paper. Atom # OX SITE x y z SOF H W 1 +4 3 a 0 0 0.0000(5) 1. 0 S 1 -2 3 a 0 0 0.2497(6) 1. 0 S 2 -2 3 a 0 0 0.4190(7) 1. 0 *end for ICSD #202367 |
3楼2014-03-13 15:01:40