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小木虫(金币+0.5):给个红包，谢谢回帖交流
*data for ICSD #86118
Coll Code 86118
Rec Date 1999/11/30
Mod Date 2006/04/01
Chem Name Potassium Nitrate(III) - Ii
Structured K (N O2)
Sum K1 N1 O2
ANX ABX2
D(calc) 1.93
Title Neutron powder diffraction study of the low-temperature phases of K N
O2
Author(s) Onoda-Yamamuro, N.;Honda, H.;Ikeda, R.;Yamamuro, O.;Matsuo,
T.;Kamiyama, T.;Izumi, F.
Reference Journal of Physics: Condensed Matter
(1998), 10, 3341-3351
Golden Book of Phase Transitions, Wroclaw
(2002), 1, 1-123
Unit Cell 5.02790(4) 5.02790(4) 10.05587(8) 90. 90. 120.
Vol 220.15
Z 3
Space Group R -3 m H
SG Number 166
Cryst Sys trigonal/rhombohedral
Pearson hR4
Wyckoff i h b
R Value 0.039
Red Cell RH 4.434 4.434 4.434 69.074 69.074 69.074 73.384
Trans Red 0.333 -0.330 -0.330 / -0.660 -0.330 -0.330 / 0.333 0.667 -0.330
Comments Stable from 264 to 315 K (2nd ref., Tomaszewski), above Fm3-
m
Neutron diffraction (powder)
The structure has been assigned a PDF number (calculated
powder diffraction data): 01-089-1261
The structure has been assigned a PDF number (experimental
powder diffraction data): 22-840
Rietveld profile refinement applied
Temperature in Kelvin: 280
Atom # OX SITE x y z SOF H
K 1 +1 3 b 0 0 0.5 1. 0
N 1 +3 18 h 0.04(2) -.04(2) -.01(6) 0.1667 0
O 1 -2 36 i 0.164(10) 0.233(5) -.023(2) 0.1667 0
*end for ICSD #86118
*data for ICSD #152185
Coll Code 152185
Rec Date 2006/10/01
Chem Name Sodium Nitrate(III) - Paraelectric
Structured Na (N O2)
Sum N1 Na1 O2
ANX ABX2
D(calc) 2.06
Title Diffuse scattering and ordering in the short-range modulated
paraelectric phase of sodium nitrite
Author(s) Lukaszewicz, K.;Pietraszko, A.;Kucharska, M.
Reference Acta Crystallographica B (39,1983-)
(2005), 61, 473-480
Unit Cell 3.661(3) 5.667(3) 5.372(4) 90. 90. 90.
Vol 111.45
Z 2
Space Group I m m m
SG Number 71
Cryst Sys orthorhombic
Pearson oI8
Wyckoff l g2
Red Cell I 3.661 4.312 4.312 77.056 64.880 64.880 55.726
Trans Red 1.000 0.000 0.000 / 0.500 -0.500 0.500 / 0.500 -0.500 -0.500
Comments Antiferroelectric below 437.7 K
Modulated structure
Temperature in Kelvin: 442
Structure type : NaNO2
X-ray diffraction from single crystal
No R value given in the paper.
Atom # OX SITE x y z SOF H
Na 1 +1 4 g 0. 0.540(1) 0. 0.5 0
N 1 +3 4 g 0. 0.062(1) 0. 0.5 0
O 1 -2 8 l 0. -0.048(14) 0.196(2) 0.5 0
*end for ICSD #152185 |
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