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今日了了

新虫 (正式写手)

[求助] 求一cif文件

Reference code:        01-072-0116

ICSD name:        Titanium Niobium Oxide

Empirical formula:        Nb2O7Ti
Chemical formula:        TiNb2O7


Crystallographic parameters

Crystal system:        Monoclinic
Space group:        A2/m
Space group number:        12

a (?):         11.9300
b (?):          3.8100
c (?):         20.4400
Alpha (°):         90.0000
Beta (°):        120.1600
Gamma (°):         90.0000

Calculated density (g/cm^3):          4.29
Measured density (g/cm^3):          4.25
Volume of cell (10^6 pm^3):        803.29
Z:          6.00

RIR:          2.06


Subfiles and Quality

Subfiles:        Inorganic
        Corrosion
        ICSD Pattern
Quality:        Calculated (C)

Comments

ICSD collection code:        015430
Test from ICSD:        Calc. density unusual but tolerable.
        No R value given.
        At least one TF missing.

References

Primary reference:        Calculated from ICSD using POWD-12++, (1997)
Structure:        Wadsley, A.D., Acta Crystallogr., 14, 660, (1961)
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今日了了

新虫 (正式写手)

引用回帖:
Originally posted by xiao9xie at 2011-04-24 17:03:58:
记得给金币哦

这个对么?为什么下下来的文件0B?
4楼2011-04-25 21:59:22
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xiao9xie

金虫 (正式写手)

高级农民工

【答案】应助回帖

★
wsht212(金币+1): 2011-04-24 19:07:29
今日了了(金币+50): 2011-04-25 21:48:53
引用回帖:
Originally posted by 今日了了 at 2011-04-23 13:33:08:
Reference code:        01-072-0116

ICSD name:        Titanium Niobium Oxide

Empirical formula:        Nb2O7Ti
Chemical formula:        TiNb2O7


Crystallographic parameters

Crystal system:        Monoclinic
Space g ...

记得给金币哦
生活就像超级女声,坚持到最后的都是纯爷们!
2楼2011-04-24 17:03:58
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今日了了

新虫 (正式写手)

引用回帖:
Originally posted by 今日了了 at 2011-04-23 13:33:08:
Reference code:        01-072-0116

ICSD name:        Titanium Niobium Oxide

Empirical formula:        Nb2O7Ti
Chemical formula:        TiNb2O7


Crystallographic parameters

Crystal system:        Monoclinic
Space g ...

怎么下不了?
3楼2011-04-25 21:51:01
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xiao9xie

金虫 (正式写手)

高级农民工

【答案】应助回帖

引用回帖:
Originally posted by 今日了了 at 2011-04-25 21:59:22:
这个对么?为什么下下来的文件0B?

我再给你传一遍   我的可以直接打开 用crystalmaker,2.44kb
生活就像超级女声,坚持到最后的都是纯爷们!
5楼2011-04-26 08:30:48
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