禁虫 (知名作家)
XRD&SEM qq2978260443
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【答案】应助回帖
感谢参与，应助指数 +1
*data for ICSD #15463
Coll Code 15463
Rec Date 1980/01/01
Mod Date 2007/08/01
Chem Name Disodium Phyllo-heptaoxotrititanate
Structured Na2 (Ti3 O7)
Sum Na2 O7 Ti3
ANX A2B3X7
D(calc) 3.43
Title The crystal structure of Na2 Ti3 O7
Author(s) Andersson, S.;Wadsley, A.D.
Reference Acta Crystallographica (1,1948-23,1967)
(1961), 14, 1245-1249
Unit Cell 8.571(2) 3.804(2) 9.135(2) 90. 101.57(5) 90.
Vol 291.79
Z 2
Space Group P 1 21/m 1
SG Number 11
Cryst Sys monoclinic
Pearson mP24
Wyckoff e12
R Value .149
Red Cell P 3.804 8.571 9.135 101.57 90 90 291.786
Trans Red 0.000 -1.000 0.000 / -1.000 0.000 0.000 / 0.000 0.000 -1.000
Comments R-value for (h1l)-data
AE: Na1: O9; Na2: O7; Ti1-3: O6; O1,4: Na3 Ti2; O2: Na2
Ti2; O3: Na5 Ti; O5: Na Ti4; O6: Na2 Ti3; O7: Ti4
The structure has been assigned a PDF number (calculated
powder diffraction data): 01-072-0148
Structure type prototype : Na2Ti3O7
Structure type : Na2Ti3O7
X-ray diffraction from single crystal
At least one temperature factor missing in the paper.
Atom # OX SITE x y z SOF H
Na 1 +1 2 e 0.682 0.25 0.595 1. 0
Na 2 +1 2 e 0.508 0.25 0.154 1. 0
Ti 1 +4 2 e 0.0278 0.25 0.2806 1. 0
Ti 2 +4 2 e 0.2467 0.25 0.673 1. 0
Ti 3 +4 2 e 0.142 0.25 0.9811 1. 0
O 1 -2 2 e 0.221 0.25 0.195 1. 0
O 2 -2 2 e 0.14 0.25 0.473 1. 0
O 3 -2 2 e 0.438 0.25 0.645 1. 0
O 4 -2 2 e 0.314 0.25 0.885 1. 0
O 5 -2 2 e 0.997 0.25 0.745 1. 0
O 6 -2 2 e 0.791 0.25 0.313 1. 0
O 7 -2 2 e 0.905 0.25 0.031 1. 0
*end for ICSD #15463 |
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