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fansw1129

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[求助] 求助Ga和B, In和B形成的化合物的cif文件 已有1人参与

求助Ga和B, In和B形成的化合物的cif文件
谢谢了
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蛋蛋小童鞋

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【答案】应助回帖

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fansw1129: 金币+5, 有帮助, 谢谢 2016-08-06 10:04:05
GaB12         Structure type         Pearson symbol         Space group         No.
*         t*130                
*Standardized
C. R. Hebd. Seances Acad. Sci.,1961,252,,134-135,Chrétien A., Lavéant P.
Preparation
Synthesis         No data.
Starting materials         No data.

    Crystal Structure
    X-ray Diffraction
    Properties
    Calculated Electronic Structure

Crystal Structure (Published)
Crystallographic data
Cell parameters         a = 1.293 nm, b = 1.293 nm, c = 0.484 nm,
α = 90 °, β = 90 °, γ = 90 °
Cell volume         0.80918 nm3
Atom coordinates         No data.

Determination of cell parameters
Sample form         powder K
Experiment method         Debye-Scherrer film K
Radiation         X-rays, Cu Kα K

Structure determination
Sample form         No data.
Experiment method         No data.
Temperature         No data.
Pressure         No data.
Niggli-reduced cell
Crystallographic data
Cell parameters         a = 0.484 nm, b = 1.293 nm, c = 1.293 nm,
α = 90 °, β = 90 °, γ = 90 °
Cell volume         0.80918 nm3
Crystal Structure (Standardized)
Crystallographic data
Cell parameters         a = 1.293 nm, b = 1.293 nm, c = 0.484 nm,
α = 90 °, β = 90 °, γ = 90 °
Cell volume         0.80918 nm3
Cell density (calculated)         No data.
Z         10
Atom coordinates
No data.
Transition from Published Data to Standardized Data
Transition :         No data. 我只帮您找到了这个
愿不负最苦的时光
2楼2016-07-29 10:43:22
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蛋蛋小童鞋

版主 (著名写手)

Preparation
Synthesis         No data.
Starting materials         No data.

    Crystal Structure
    X-ray Diffraction
    Properties
    Calculated Electronic Structure

Crystal Structure (Published)
Crystallographic data
Cell parameters         a = 0.3773 nm, b = 0.3773 nm, c = 0.3773 nm,
α = 90 °, β = 90 °, γ = 90 °
Cell volume         0.05371 nm3
Atom coordinates
No         Site notation         Atom         Multiplicity         Wyckoff         Site symmetry         x         y         z         Occupancy
1         B         B         1         b         m-3m         1/2         1/2         1/2         0.5
2         In         In         1         a         m-3m         0         0         0         1.0
3         Ni         Ni         3         c         4/mm.m         0         1/2         1/2         1.0


Determination of cell parameters
Sample form         powder K
Experiment method         film K
Radiation         X-rays, Cu Kα K

Structure determination
Sample form         powder K
Experiment method         film K
Temperature         No data.
Pressure         No data.
Niggli-reduced cell
Crystallographic data
Cell parameters         a = 0.3773 nm, b = 0.3773 nm, c = 0.3773 nm,
α = 90 °, β = 90 °, γ = 90 °
Cell volume         0.05371 nm3
愿不负最苦的时光
3楼2016-07-29 10:51:54
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fansw1129

铁杆木虫 (著名写手)

引用回帖:
3楼: Originally posted by 蛋蛋小童鞋 at 2016-07-29 10:51:54
Preparation
Synthesis         No data.
Starting materials         No data.

    Crystal Structure
    X-ray Diffraction
    Properties
    Calculated Electronic Structure

Crystal Structure (Published)
C ...

谢谢
4楼2016-08-06 10:11:12
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