Intensity (cps)

Measurement profile

400

300

100

20
40

7/7/2014 2:52:26 PM
XRD Analysis
UMP 2.raw
UMP

60

2-theta(deg)

-1-

[13], d=1.239(4), 2-theta=76.9(3)

[12], d=1.4888(12), 2-theta=62.32(6)

[11], d=1.993(2), 2-theta=45.47(5)

[9], d=2.3401(7), 2-theta=38.436(12)

[10], d=2.2882(18), 2-theta=39.34(3)

[7], d=2.561(2), 2-theta=35.00(3)

[8], d=2.4894(18), 2-theta=36.05(3)

[5], d=3.570(2), 2-theta=24.918(14)

[6], d=3.3361(18), 2-theta=26.700(14)

Analysis date
Sample name
File name
Comment

[2], d=4.984(12), 2-theta=17.78(4)

[3], d=4.464(5), 2-theta=19.87(2)
[4], d=4.164(14), 2-theta=21.32(7)

200
[1], d=7.111(6), 2-theta=12.437(10)

Intensity (cps)

Analysis Results

General Information
Measured time
Operator
6/9/2014 12:34:15 PM
administrator

50

-50
80

Measurement conditions
XG
Goniometer
Attachment
K-beta filter
Incident monochromator
Receiving monochromator
Counter

Cu/30 kV/15 mA
-

Duration time / Scan speed

Step / Sampling step
Measurement axis
Scan range
Incident slit
Vertical divergence slit
Receiving slit #1
Receiving slit #2

-2-

1 deg/min
0.02 deg
2/
10-80 deg
-

Qualitative analysis results

Phase name
Kaolinite-1A

Formula
Al2 Si2 O5 ( O H )4

Figure of merit
0.6861116897989547

ICDD
582001 (ICDD)

Phase name
Kaolinite-1A

Formula
Al2 Si2 O5 ( O H )4

Space group
1 : P1

ICDD
582001 (ICDD)

-3-

Integrated Intensity (cps deg)

Intensity (cps)

300

2-theta (deg)
12.437(10)
17.78(4)
19.87(2)
21.32(7)
24.918(14)
26.700(14)
35.00(3)
36.05(3)
38.436(12)
200

0
20

d (ang.)
7.111(6)
4.984(12)
4.464(5)
4.164(14)
3.570(2)
3.3361(18)
2.561(2)
2.4894(18)
2.3401(7)
40

Height (cps)
235(15)
23(5)
57(8)
41(6)
190(14)
101(10)
44(7)
34(6)
41(6)

Kaolinite-1A, Al2 Si2 O5 ( O H )4, (-3 -3 1)

Kaolinite-1A,
Al2
2)
Kaolinite-1A,
Al2
Si2
O5
O
H
)4,
(-3
331)
2)
Kaolinite-1A,Al2
Al2Si2
Si2O5
O5((((O
OH
H)4,
)4,(-3
(-36-3
0)
Kaolinite-1A,
Al2
Si2
O5
O
H
)4,
(0
Kaolinite-1A,
Kaolinite-1A, Al2 Si2
Si2 O5
O5 (( O
OH
H )4,
)4, (2
(0 2
0 3)
5)
Kaolinite-1A,
Al2
Si2
O5
(
O
H
)4,
(0
-4
4)
Kaolinite-1A,
Kaolinite-1A, Al2
Al2 Si2
Si2 O5
O5 (( O
OH
H )4,
)4, (2
(-34-32)3)
Kaolinite-1A, Al2 Si2 O5 ( O H )4, (-3 3 3)

Kaolinite-1A, Al2 Si2 O5 ( O H )4, (2 -2 2)

Kaolinite-1A,
Al2
Si2
O5
(( O
)4, (-2
-40)1)
Kaolinite-1A,
Al2Al2
Si2Si2
O5O5
O(H
H
(1 5
(-2
0)
Kaolinite-1A,
O )4,
H )4,
(-1
54 1)
(3 -1
Kaolinite-1A,
Al2Al2
Si2Si2
O5O5
( O(HO)4,
(-2
-40)
Kaolinite-1A,
H )4,
(1
32)3)
Kaolinite-1A, Al2 Si2 O5 ( O H )4, (-1 -3 4)
Kaolinite-1A,
Kaolinite-1A,Al2
Al2Si2
Si2O5
O5( O
( OHH)4,
)4,(-2
(12-14)4)

Kaolinite-1A,Al2
Al2Si2
Si2O5
O5((O
O H)4,
)4,(-1
(-2-3
0 1)
Kaolinite-1A,
Kaolinite-1A,
Al2 Si2
O5
O H( H
)4,
(1 -1(-1
2) 1)
Kaolinite-1A,
Al2O5
Si2((O
O5
OH
Kaolinite-1A,
Al2 Si2
H )4,
(-2)4,
1 1) 3 1)
Kaolinite-1A,
Al2 Si2
O H( )4,
0 3)
Kaolinite-1A,
Al2O5
Si2( O5
O H(0)4,
(-2 0 2)
Kaolinite-1A,
(O
H-3
)4,2)(1 3 1)
Kaolinite-1A,
Al2 Si2Al2
O5 Si2
( O O5
H )4,
(-1
(0 4 0)
Kaolinite-1A,
2)
Kaolinite-1A, Al2
Al2 Si2 O5
O5 ( O
OH
H )4, (-1
(2 031)
Kaolinite-1A, Al2 Si2 O5 ( O H )4, (0 -2 3)
Kaolinite-1A, Al2 Si2 O5 ( O H )4, (-2 2 2)
Kaolinite-1A,
0 3)
Kaolinite-1A, Al2
Al2 Si2 O5
O5 ( O
OH
H )4, (-2
(1 -3
2)
Kaolinite-1A, Al2Si2
Si2 O5( O
( O H)4,
)4, (1-432)
2)
Kaolinite-1A,
Kaolinite-1A, Al2
Al2 Si2 O5
O5 ( O H
H )4, (0
(-1 -3 3)
Kaolinite-1A,
Al2
(0
4 32)3)
Kaolinite-1A,
Al2Si2
Si2O5
O5((O
OHH)4,
)4,
(-1
(-2)4,
-2(1
3)-2
Kaolinite-1A,
O )4,
H
Kaolinite-1A,
Al2Al2
Si2Si2
O5O5
( O( H
(-1
-1
4)3)
Kaolinite-1A, Al2 Si2 O5 ( O H )4, (0 0 4)

Kaolinite-1A, Al2 Si2 O5 ( O H )4, (0 2 2)

Kaolinite-1A,
Al2 Si2
O5
(O5
O H( O
)4,H(0)4,2 (-1
0) 1 0)
Kaolinite-1A,
Al2
Si2
Kaolinite-1A,
Al2Al2
Si2Si2
O5O5
)4,
(1 (-1
1
Kaolinite-1A,
O)4,
H (-1
)4,
Kaolinite-1A,
Al2
Si2
O5
((OO(HH
1 0)
1)-1 1)
Kaolinite-1A,
Al2
Si2
O5
(
O
H
)4,
(0
-2
Kaolinite-1A, Al2 Si2 O5 ( O H )4, (0 2 1) 1)
Kaolinite-1A, Al2 Si2 O5 ( O H )4, (0 0 2)
Kaolinite-1A,
Al2Al2
Si2Si2
O5O5
( O( O
H )4,
(1 (-1
1 1)0 2)
Kaolinite-1A,
H )4,
Kaolinite-1A,
Al2
Si2
O5
(
O
H
)4,
(-1
-1
2)
Kaolinite-1A, Al2 Si2 O5 ( O H )4, (-1 1 2)

100

Kaolinite-1A, Al2 Si2 O5 ( O H )4, (0 0 1)

400

400

200

60
80

2-theta(deg)

Peak list

Int. I(cpsdeg)
128.2(18)
9.5(6)
55(11)
52(9)
114(2)
31.4(12)
26.7(18)
13.6(13)
19(2)

-4-

FWHM(deg)
0.431(9)
0.33(4)
0.66(11)
1.00(15)
0.506(12)
0.280(12)
0.44(4)
0.33(4)
0.36(4)
Size
194(4)
252(32)
129(21)
84(13)
168(4)
305(13)
196(16)
261(29)
246(28)
Phase name
Kaolinite-1A, (0,0,1)
Unknown,
Kaolinite-1A, (0,2,0)
Kaolinite-1A, (1,1,-1)
Kaolinite-1A, (0,0,2)
Kaolinite-1A, (1,1,1)
Kaolinite-1A, (2,0,-1)
Kaolinite-1A, (1,-3,-1)
Kaolinite-1A, (2,0,-2)

39.34(3)
45.47(5)
62.32(6)
76.9(3)

2.2882(18)
1.993(2)
1.4888(12)
1.239(4)

17(4)
35(6)
39(6)
3.3(18)

25(3)
24.5(12)
20.5(11)
5.7(14)

0.98(16)
0.50(5)
0.38(5)
1.6(3)

-5-

90(15)
182(19)
255(35)
67(11)

Kaolinite-1A, (1,3,1)
Kaolinite-1A, (2,0,-3)
Kaolinite-1A, (3,3,-1)
Unknown,

Parameters used for WPPF

Profile parameters
Common Parameter

Background

Data
Function name
param0
param1
param2
param3
param4
param5
param6
param7
param8
param9
param10
param11
param12
param13
param14
param15
param16
node0
node1
node2
node3
node4
node5
node6
node7
node8
node9
node10
node11
node12
node13

-6-

UMP 2
B-spline
13.40700321021733
18.0031852965251
-3.232632501915734
21.98833764246207
46.21134101656693
4.949476948295137
24.11769534335532
32.97160400155261
1.157635881719851
25.46587843796416
4.034675928233191
38.32556858199003
10.02922263200282
17.88430462620008
19.72161543365654
14.1720221782605
12.33193360005924
10
15.32
20.64
25.96
31.34
35.54
39.74
43.94
48.16
52.04
55.92
59.8
63.74
70.7

Common Parameter

Kaolinite-1A

node14

80

Function name
param0
param1
param2
s
U
V
W
A0
A1
etaL0/mL0
etaL1/mL1
etaH0/mH0
etaH1/mH1
h
k
l
March coefficient

Shift axial displacement

-0.02396844189158023
0
0
0.93(3)
0.0000
0.0767
0.1808
0.4378
1.8269
0.1636
0.3183
0.6626
-0.2478
0
0
0
1.000000

Peak shift

Scale factor
FWHM

Asym. factor
Extinction coefficient

Preferred orientationMarch-Dollase

-7-

Structure parameters
Data set name

File name
UMP 2

Phase Name

Rwp
0

Element

Rp
0

Re
0

Occupancy

S
0

-8-

Temperature factor

Chi^2
0

Maximum shift/e.s.d.
0

Lattice constants
Angular correction
No correction
Use External standard parameters
Use internal standard data

Analysis results
File name
UMP 2

a (ang.)
5.143205

b (ang.)
8.930718

c (ang.)
7.391349

alpha (deg)
91.697502

beta (deg)
104.836304

gamma (deg)
89.831703

Phase name
Kaolinite-1A

a (ang.)
5.143205

b (ang.)
8.930718

c (ang.)
7.391349

alpha (deg)
91.697502

beta (deg)
104.836304

gamma (deg)
89.831703

1
0.9

Lattice constants (ang.)

0.8
0.7
0.6
0.5
0.4
0.3
0.2
0.1
0
UMP 2

UMP 2
Data set
a
b
c

-9-

Crystallinity
File name

Crystallinity (%)

CrystallinityGraph.emf

- 10 -

Crystallite size and lattice strain

Williamson-Hall method
File name

Crystallite size(ang.)

Strain (%)

Phase name

Crystallite size(ang.)

Strain (%)

CSSGraph.emf

- 11 -

Quantitative analysis results (RIR)

RIRGraph.emf

- 12 -

Quantitative analysis results (WPPF)

- 13 -

Quantitative analysis results (standard addition method)

Calibration data
QuantityCalibration.emf

QCGraph.emf

- 14 -

 Quantitative analysis results (External Standard method)

Calibration data
QACalibration.emf

QCGraph.emf

- 15 -

Quantitative analysis results (internal standard method)

Calibration Data
QuantityCalibration.emf

QCGraph.emf

- 16 -

Stress
Stress constants
Analytical conditions
Analysis results
StressGraph.emf

- 17 -