Intensity (cps) Intensity (cps)

Comment
File name
Analysis date
Sample name

10
-2000
0.0e+000
5.0e+003
1.0e+004

0
1000
10
General Information

Measurement profile

20
20
[1], d=3.8947(15), 2-theta=22.814(9)

[2], d=3.482(2), 2-theta=25.561(15)

30
30
[3], d=2.9013(18), 2-theta=30.792(19)
[4], d=2.7904(6), 2-theta=32.049(7)
[5], d=2.7495(3), 2-theta=32.539(3)
[6], d=2.7244(7), 2-theta=32.847(9)
[7], d=2.6257(19), 2-theta=34.12(3)
NWS 05.raw

40
40

2-theta (deg)
[8], d=2.2652(7), 2-theta=39.760(14)
[9], d=2.2274(5), 2-theta=40.463(10)
TEST SAMPLE

[10], d=2.1543(12), 2-theta=41.90(2)

2016/06/15 11:58:27

[11], d=1.94905(18),
d=1.9390(3), 2-theta=46.558(5)
2-theta=46.815(7)
[13],[12],
d=1.9156(4), 2-theta=47.420(10)
[14], d=1.8910(8), 2-theta=48.08(2)

50
50 [15], d=1.7373(12), 2-theta=52.64(4)
[16], d=1.7167(5), 2-theta=53.319(18)

[18],
[17], d=1.5927(3), 2-theta=57.447(13)
d=1.6028(3), 2-theta=57.844(12)
[19], d=1.57817(16), 2-theta=58.430(6)

60
[20], d=1.5570(4), 2-theta=59.304(18)
60

-1-
[21], d=1.4557(5), 2-theta=63.90(2)

[22], d=1.3750(2), 2-theta=68.140(12)

Operator

70
70
Analysis Results

Measurement date
Syamsidar. D
2016/05/31 12:27:26
Measurement conditions

X-Ray 30 kV , 15 mA Scan speed / Duration time 4.0000 deg./min.

Goniometer Step width 0.0200 deg.
Attachment - Scan axis 2Theta/Theta
Filter Kb filter Scan range 10.0000 - 70.0000 deg.
CBO selection slit - Incident slit 1.25 deg.
Diffrected beam mono. Length limiting slit -
Detector MiniFlex2 counter Receiving slit #1 1.25 deg.
Scan mode CONTINUOUS Receiving slit #2 0.3mm

Qualitative analysis results

Phase name Formula Figure of merit Phase reg. detail DB card number
Neodymium ferrate(III) Nd ( Fe O3 ) 0.208 ICDD (PDF-2/Release 2011 RDB) 01-075-8562
Neodymium Oxide Nd2 O3 0.836 ICDD (PDF-2/Release 2011 RDB) 01-074-1147

Phase name Formula Space group Phase reg. detail DB card number
Neodymium ferrate(III) Nd ( Fe O3 ) 62 : Pbnm ICDD (PDF-2/Release 2011 01-075-8562
Neodymium Oxide Nd2 O3 150 : P321 RDB) (PDF-2/Release
ICDD 2011 01-074-1147
RDB)

-2-
-3-
 (1 1 2)
1.0e+004
Intensity (cps)

(1 0 1)(0 1 1)
5.0e+003

0.0e+000
10 20 30 40 50 60 70
100 Neodymium ferrate(III), Nd ( Fe O3 )

(1 1 2)
50

0
100 Neodymium Oxide, Nd2 O3
(0 1 1)

50

0
10 20 30 40 50 60 70
2-theta (deg)

Peak list

-4-
No. 2-theta(deg) d(ang.) Height(cps) FWHM(deg) Int. I(cps deg) Int. W(deg) Asym. factor
1 22.814(9) 3.8947(15) 1658(74) 0.227(8) 500(10) 0.30(2) 0.78(14)
2 25.561(15) 3.482(2) 882(54) 0.179(12) 198(9) 0.22(2) 1.3(4)
3 30.792(19) 2.9013(18) 551(43) 0.228(15) 134(10) 0.24(4) 0.8(3)
4 32.049(7) 2.7904(6) 1826(78) 0.174(7) 395(11) 0.216(15) 1.10(15)
5 32.539(3) 2.7495(3) 9220(175) 0.160(3) 1834(24) 0.199(6) 1.35(12)
6 32.847(9) 2.7244(7) 2185(85) 0.174(10) 473(20) 0.216(18) 1.2(2)
7 34.12(3) 2.6257(19) 530(42) 0.189(18) 108(10) 0.20(4) 0.9(5)
8 39.760(14) 2.2652(7) 864(54) 0.137(17) 150(10) 0.17(2) 1.2(5)
9 40.463(10) 2.2274(5) 1159(62) 0.164(12) 234(11) 0.20(2) 2.8(11)
10 41.90(2) 2.1543(12) 396(36) 0.15(3) 63(9) 0.16(4) 1.2(8)
11 46.558(5) 1.94905(18) 2264(87) 0.147(7) 434(17) 0.192(15) 0.96(13)
12 46.815(7) 1.9390(3) 1364(67) 0.151(12) 268(15) 0.20(2) 1.1(2)
13 47.420(10) 1.9156(4) 190(25) 0.15(4) 32(7) 0.17(6) 0.2(2)
14 48.08(2) 1.8910(8) 626(46) 0.289(18) 200(15) 0.32(5) 2.0(6)
15 52.64(4) 1.7373(12) 321(33) 0.31(7) 157(20) 0.49(11) 1.0(5)
16 53.319(18) 1.7167(5) 832(53) 0.22(3) 291(19) 0.35(5) 0.8(3)
17 57.447(13) 1.6028(3) 840(53) 0.21(2) 239(14) 0.28(3) 1.4(3)
18 57.844(12) 1.5927(3) 789(51) 0.177(19) 189(13) 0.24(3) 1.1(3)
19 58.430(6) 1.57817(16) 2304(88) 0.203(9) 633(12) 0.275(16) 1.09(14)
20 59.304(18) 1.5570(4) 353(34) 0.13(3) 89(8) 0.25(5) 1.2(8)
21 63.90(2) 1.4557(5) 415(37) 0.19(3) 115(10) 0.28(5) 0.8(6)
22 68.140(12) 1.3750(2) 1072(60) 0.167(14) 233(13) 0.22(2) 1.1(4)

-5-
Parameters used for WPPF
Profile parameters

Common parameter Background Data NWS 05

Function name B-spline
param0 512.74153966069696
param1 1427.4597591854745
param2 1460.6950066800828
param3 1241.2842512591985
param4 1252.5081775642054
param5 1301.386500808238
node0 10
node1 30
node2 50
node3 70
Common parameter Peak shift
Function name Shift axial displacement
param0 0.03661525701427766
param1 1
0
param2 0
Neodymium Scale factor s 27.8(3)
ferrate(III) FWHM U 0.4327
V -0.3579
W 0.0967
Asym. factor A0 0.1041
A1 0.0000
Decay rate factor etaL0/mL0 0.4194
etaL1/mL1 0.2415
etaL2/mL2 0.0000
etaH0/mH0 0.1258
etaH1/mH1 0.5089
etaH2/mH2 0.0000
Preferred orientationMarch- h 0
Dollase k 0
l 0

-6-
 March coefficient 1.000000
Neodymium Oxide Scale factor s 1.93(15)
FWHM U 0.5430
V -0.4787
W 0.1366
Asym. factor A0 -0.0547
A1 0.0000
Decay rate factor etaL0/mL0 0.0000
etaL1/mL1 0.6186
etaL2/mL2 0.0000
etaH0/mH0 0.1755
etaH1/mH1 0.6133
etaH2/mH2 0.0000
Preferred orientationMarch- h 0
Dollase k 0
l 0
March coefficient 1.000000

-7-
Lattice constants
Angular correction

Analysis results

Data set name a(A) b(A) c(A) alpha(deg) beta(deg) gamma(deg)

NWS 05 5.451577 5.585736 7.762850 90.000000 90.000000 90.000000
NWS 05 3.835629 3.835629 6.017219 90.000000 90.000000 120.000000

Phase name a(A) b(A) c(A) alpha(deg) beta(deg) gamma(deg) V(A^3)

Neodymium 5.451577 5.585736 7.762850 90.000000 90.000000 90.000000 236.387075
ferrate(III)
Neodymium Oxide 3.835629 3.835629 6.017219 90.000000 90.000000 120.000000 76.665419

Crystallite size and lattice strain

Williamson-Hall method

Data set name Crystallite size(A) Strain(%)

Phase name Crystallite size(A) Size distribution Strain(%) Distribution type

Neodymium - - - -
ferrate(III)
Neodymium Oxide - - - -

CSSGraph.emf

-8-
Quantitative analysis results (RIR)

Phase name Content(%)

Neodymium ferrate(III) 93.5(12)
Neodymium Oxide 6.5(5)

NWS 05

0 10 20 30 40 50 60 70 80 90 100

Wt(%)

Neodymium ferrate(III) Neodymium Oxide

Unknown

-9-