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jpengxm

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[求助] 求助LaSr2AlO5的ICSD数据

求助LaSr2AlO5的ICSD数据。感谢
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bible2

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LaSr2AlO5的ICSD数据
2楼2011-06-06 16:52:41
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bible2

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Originally posted by bible2 at 2011-06-06 16:52:41:
LaSr2AlO5的ICSD数据

LaSr2AlO5的ICSD数据

3楼2011-06-06 16:52:55
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ultraq

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jpengxm(金币+2): 2011-06-19 09:46:51
jpengxm(金币+3): 2011-08-23 23:14:19
1 entry selected.
CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
***Click the ANX, Pearson or Wyckoff Symbol to find structures with that symbol***.
CC=166238         Help
Title        Probing local structure in the yellow phosphor La Sr2 Al O5: Ce(3+), by the maximum entropy method and pair distribution function analysis.
Authors        Im Won Bin;Page, K.;DenBaars, S.P.;Seshadri, R.
Reference        Journal of Materials Chemistry (2009) 19, 8761-8766
Link XRef SCOPUS SCIRUS Google
Compound        Al1 Ce0.025 La0.975 O5 Sr2 - Lanthanum cerium strontium aluminium oxide (0.98/0.02/2/1/5) [AB3X5] [tI36] [l h c b a] [Cs3CoCl5]
Cell        6.8811(5), 6.8811(5), 11.055(1), 90., 90., 90.
I4/MCM (140) V=523.45
Remarks        R=0.045000 : TEM =293 : TFA RVP TYP =Cs3CoCl5 : SNP
A refinement of the average structure using pair distribution function analysis is given in ICSD 166239
This is the average structure of the compound; the local structure is studied using pair distribution function analysis in ICSD 166240

Atom (site) Oxid.         x, y, z, B, Occupancy
La1        (8h)        3
Ce1        (8h)        3
Sr1        (8h)        2
Sr2        (4a)        2
Al1        (4b)        3
O1        (4c)        -2
O2        (16l)        -2
       
0.3197(1)        0.8197(1)        0.        0.0082(3)        0.4875
0.3197(1)        0.8197(1)        0.        0.0082(3)        0.0125
0.3197(1)        0.8197(1)        0.        0.0082(3)        0.5
0.        0.        0.250        0.0080(5)        1
0.        0.5        0.250        0.006(1)        1
0.        0.        0.        0.037(4)        1
0.1346(7)        0.6346(7)        0.1489(4)        0.05(1)        1

CC=166240         Help
Title        Probing local structure in the yellow phosphor La Sr2 Al O5: Ce(3+), by the maximum entropy method and pair distribution function analysis.
Authors        Im Won Bin;Page, K.;DenBaars, S.P.;Seshadri, R.
Reference        Journal of Materials Chemistry (2009) 19, 8761-8766
Link XRef SCOPUS SCIRUS Google
Compound        Al1 Ce0.025 La0.975 O5 Sr2 - Lanthanum cerium strontium aluminium oxide (0.98/0.02/2/1/5) [ABC2X5] [tP36] [k2 h g f e b a] []
Cell        6.883(4), 6.883(4), 11.041(8), 90., 90., 90.
P4/MBM (127) V=523.08
Remarks        R=0.165000 : TEM =293 : SNP TFA
The coordinates are those given in the paper but the atomic distances do not agree with those calculated during testing.The coordinates are probably correct.
Average structure : ICSD 166238, 166239
Refinement of the local structure using pair distribution function analysis

Atom (site) Oxid.         x, y, z, B, Occupancy
La1        (4h)        3
Ce1        (4h)        3
Sr1        (4g)        2
Sr2        (4e)        2
Al1        (4f)        3
O1        (2a)        -2
O2        (2b)        -2
O3        (8k)        -2
O4        (8k)        -2
       
0.3197(6)        0.8197(6)        0.5        0.0062(5)        0.975
0.3197(6)        0.8197(6)        0.5        0.0062(5)        0.025
0.1803(6)        0.6803(6)        0.        0.0062(5)        1
0.        0.        0.750        0.010(1)        1
0.        0.5        0.750        0.013(5)        1
0.        0.        0.        0.06(3)        1
0.        0.        0.5        0.06(3)        1
0.140(6)        0.640(6)        0.144(5)        0.05(1)        1
0.620(7)        0.120(7)        0.636(4)        0.05(1)        1
4楼2011-06-14 16:08:44
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18765905832

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3楼: Originally posted by bible2 at 2011-06-06 16:52:55
LaSr2AlO5的ICSD数据

有它的cif文件吗
5楼2015-12-26 16:05:29
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bible2

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5楼: Originally posted by 18765905832 at 2015-12-26 16:05:29
有它的cif文件吗

楼上的就是。
6楼2015-12-26 16:13:50
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