1391
µ¦µ 3
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o
°¤¼
¨µ¦¨°Â¨³
o
°¤¼
¨
°Ã¦¦o
µ¨¹
MgTiO
3
Cell parameter
Crystal system; space group
Rhombohedral; R-3 (No.148)
Lattice parameter
a= b = 5.0532(2)
o
A
, c =
13.8947(8)
o
A
Volume(
o
A
3
)
307.36
Formula units per cell
Z=6
Calculate density
3.89 g/cm
3
Measured density
3.90 g/cm
3
Radiation type: wavelength
CuK
Į
;
O
1.54060
o
A
Zero point (
o
2
T
)
-0.079867
Refinement program
X’High Score Plus
Peak shape function
pseudo-Voigt
Background model
polynomial
Number atom site
3
Total number of free parameter
20
Halfwidth parameter
U
-0.021859
V
0.022679
W
0.0028(3)
Rietveld refinement factor
Profile R-factor
R
p
=31.63%; R
wp
=41.14%
Bragg R-factor
R
B
=11.86%
Goodness of fit
S=1.39
Fract.X coord.
0.55
0.5
0.45
0.4
0.35
0.3
0.25
0.2
0.15
0.1
0.05
0
-0.05
Peak intensity
280
260
240
220
200
180
160
140
120
100
80
60
40
20
0
-20
-40
-60
-80
-100
-120
-140
-160
-180
-200
-220
Fract.Y coord.
0.55
0.5
0.45
0.4
0.35
0.3
0.25
0.2
0.15
0.1
0.05
0
-0.05
Fourier Map, Layer: [0 0 1], Level in Z: 0.0500
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z = 0.0500
