Nama: M.

Abdul Chalim
NIM: 15630048
Kelas: Kimia B
ZnO

JCPDS no. 0036-1451

CYCLE NUMBER= 30

+----------------------------------------------------+

| Phase: 1 |

+----------------------------------------------------+

PHASE SCALE FACTOR = 0.100000E-01 0.000000 0.000000

OVERALL TEMP. FACTOR = 0.000000 0.000000 0.000000

CELL PARAMETERS = 3.358629 0.000000 0.000323

3.358629 0.000000 0.000323

5.377212 -0.000002 0.000520

90.000008 0.000000 0.000000

90.000008 0.000000 0.000000

120.000008 0.000000 0.000000

RECIPROCAL CELL = 0.344 0.344 0.186 90.000 90.000 60.000

CELL VOLUME = 52.530518 0.008766

SCALE * VOLUME = 0.525305 0.000088

MOLECULAR WEIGHT = 0.000

DENSITY = 0.000

NOTE: CHECK Z VALUE or N's- DENSITY NOT PHYSICAL

ABSOLUTE PHASE VALUES:

INC = NEUTRONS ON SAMPLE/CM^2 ( in cm^-2)

MASS = MASS OF PHASE IN BEAM (in g)

ls/R = RATIO OF DETECTOR HEIGHT TO SAMPLE-DETECTOR

Then:

INC*MASS*ls/R = 0.000000

+----------------------------------------------------+

| Histogram: 1 |

+----------------------------------------------------+

SCALE FACTOR = 1.0000 0.00000 0.00000

ZEROPOINT = 0.02900 0.00000 0.00000

BACKGROUND PARAMETER B 0 = 214.296 0.000000 0.000000

BACKGROUND PARAMETER B 5 = -344.331 -0.141334E-03 8.76175

PREFERRED ORIENTATION = 1.00000 0.00000 0.00000

ABSORPTION R = 0.00000 0.00000 0.00000

ASYMMETRY PARAMETERS = 0.00442 -0.00001 0.00698

0.00000 0.00000 0.00000

HALFWIDTH PARAMETERS U = 0.660244 0.000032 0.024915

V = -0.055000 0.000000 0.000000

W = 0.027000 0.000000 0.000000

ANISOTROPIC GAUSSIAN BROADENING = 0.000100 0.000000 0.000000

PEAK SHAPE PARAMETER Gam0 = 1.468604 -0.000015 0.019683

PEAK SHAPE PARAMETER Gam1 = -0.008900 0.000000 0.000000

PEAK SHAPE PARAMETER Gam2 = 0.000000 0.000000 0.000000

EXTINCTION PARAMETER = 0.000000 0.000000 0.000000

+------------------------------------------------------------------------------------------+

| Hist | Rp | Rwp | Rp(-b) | Rwp(-b)| Rexp |Durbin Unwght| Durbin Wght | N-P |

+------------------------------------------------------------------------------------------+

| 1 | 6.67 | 8.34 | 46.27 | 5.94 | 10.46 |*********** | 0.923 | 1744 |

+------------------------------------------------------------------------------------------+

| SUMYDIF | SUMYOBS | SUMYCALC | SUMWYOBSSQ | GOF | CONDITION |

+------------------------------------------------------------------------+

| 0.3110E+05| 0.4663E+06| 0.4542E+06| 0.1595E+06| 0.6365E+00| 0.8195E+13 |

+------------------------------------------------------------------------+

CORRELATION MATRIX=

1 2 3 4 5 6

1 100 0 0 0 0 0

2 0 100 -4 -4 -5 -93

3 0 -4 100 78 95 3

4 0 -4 78 100 87 3

5 0 -5 95 87 100 4

6 0 -93 3 3 4 100

AVERAGE INTENSITY DIFFERENCE FOR PATTERN,

GIVEN FOR BLOCKS OF 20 OBSERVATIONS.

1 -12.6 2 -19.6 3 -13.6 4 -4.3 5 6.0 6 3.3 7 2.1 8 11.8 9 14.9 10 15.6

11 14.3 12 9.5 13 9.6 14 12.8 15 13.6 16 12.9 17 15.7 18 10.0 19 8.2 20 10.5

21 9.3 22 22.0 23 17.4 24 26.5 25 19.0 26 16.2 27 14.1 28 -10.0 29 35.7 30 32.2

31 -14.8 32 -2.9 33 -3.4 34 -1.1 35 18.5 36 38.1 37 30.1 38 21.1 39 22.4 40 18.8

41 17.9 42 11.4 43 3.1 44 11.9 45 7.2 46 19.4 47 10.9 48 -0.8 49 11.9 50 6.3

51 5.4 52 6.4 53 3.3 54 9.3 55 8.9 56 5.2 57 -2.4 58 -10.6 59 2.7 60 -5.3
 61 2.1 62 19.3 63 20.7 64 8.0 65 9.6 66 5.3 67 -8.3 68 5.5 69 3.4 70 3.6

71 -1.1 72 -3.2 73 3.2 74 -4.8 75 -1.4 76 3.5 77 -3.6 78 2.8 79 -1.2 80 -0.9

81 -2.6 82 2.5 83 -2.2 84 -2.1 85 -1.3 86 -2.7 87 -1.5 88 0.9

NO. CODE H K L HW SHAPE POSN ICALC COBS DIFF ESD

1 1 0 1 0 0.255 1.186 31.779 9097. 9097. -0.6 63.7

2 2 0 1 0 0.255 1.185 31.860 8829. 8829. 0.7 62.2

3 1 0 0 2 0.271 1.162 34.458 14716. 14719. 2.9 120.0

4 2 0 0 2 0.272 1.161 34.546 158. 155. -2.9 1.4

5 1 0 1 1 0.283 1.146 36.272 17984. 17985. 0.7 102.7

6 2 0 1 1 0.283 1.145 36.365 10532. 10532. -0.6 63.1

7 1 0 1 2 0.362 1.045 47.575 4579. 4580. 0.8 92.4

8 2 0 1 2 0.363 1.044 47.700 1209. 1208. -0.8 26.1

9 1 1 1 0 0.435 0.965 56.616 8624. 8622. -2.1 147.8

10 2 1 1 0 0.436 0.963 56.768 2271. 2273. 2.2 42.6

11 1 0 1 3 0.490 0.909 62.916 8898. 8900. 1.8 185.5

12 2 0 1 3 0.492 0.907 63.089 232. 230. -1.8 5.5

13 1 0 2 0 0.523 0.878 66.401 1331. 1331. 0.0 55.2

14 2 0 2 0 0.525 0.876 66.586 40. 40. -0.0 1.7

15 1 1 1 2 0.539 0.864 67.989 7919. 7919. 0.4 182.8

16 2 1 1 2 0.541 0.862 68.180 277. 276. -0.4 7.1

17 1 0 2 1 0.550 0.853 69.116 3499. 3499. -0.4 111.7

18 2 0 2 1 0.552 0.852 69.312 259. 260. 0.5 9.1

19 1 0 0 4 0.586 0.822 72.653 656. 656. -0.0 33.5

20 2 0 0 4 0.588 0.820 72.861 0. 0. -0.0 0.0

21 1 0 2 2 0.633 0.783 77.004 686. 686. 0.1 36.0

22 2 0 2 2 0.636 0.781 77.230 169. 169. -0.1 9.0

DERIVED BRAGG R-FACTOR= 0.02

TiO2

CYCLE NUMBER= 30

+----------------------------------------------------+
| Phase: 1 |
+----------------------------------------------------+
PHASE SCALE FACTOR = 0.100000E-01 0.000000 0.000000
OVERALL TEMP. FACTOR = 0.000000 0.000000 0.000000
CELL PARAMETERS = 3.769045 0.000147 0.000000
3.769045 0.000146 0.000000
9.461369 0.000369 0.000000
90.000008 0.000000 0.000000
90.000008 0.000000 0.000000
90.000008 0.000000 0.000000
RECIPROCAL CELL = 0.265 0.265 0.106 90.000 90.000 90.000
CELL VOLUME = 134.405365 0.000000
SCALE * VOLUME = 1.344054 0.000000
MOLECULAR WEIGHT = 0.000
DENSITY = 0.000
NOTE: CHECK Z VALUE or N's- DENSITY NOT PHYSICAL
ABSOLUTE PHASE VALUES:
INC = NEUTRONS ON SAMPLE/CM^2 ( in cm^-2)
MASS = MASS OF PHASE IN BEAM (in g)
ls/R = RATIO OF DETECTOR HEIGHT TO SAMPLE-DETECTOR
Then:
INC*MASS*ls/R = 0.000000

+----------------------------------------------------+
| Histogram: 1 |
+----------------------------------------------------+
SCALE FACTOR = 1.0000 0.00000 0.00000
ZEROPOINT = 0.18032 -0.00005 0.01262
 WAVELENGTH = 1.531068 0.000062
0.141477

BACKGROUND PARAMETER B 0 = 99.0122 0.000000

0.000000
BACKGROUND PARAMETER B 1 = 1.40639 -0.180908E-05 0.410460E-
01
BACKGROUND PARAMETER B 2 = -0.299085E-01 -0.474683E-06 0.709399E-
03
BACKGROUND PARAMETER B 4 = 0.220325E-05 0.000000
0.000000
BACKGROUND PARAMETER B 5 = -227.062 0.175477E-02 8.02044
PREFERRED ORIENTATION = 1.00000 0.00000 0.00000
ABSORPTION R = 0.00000 0.00000 0.00000
ASYMMETRY PARAMETERS = 0.24824 0.00000 0.00817
0.00000 0.00000 0.00000
HALFWIDTH PARAMETERS U = 0.695565 0.001055
0.155433
V = -0.439736 -0.000707
0.104634
W = 0.091232 0.000107
0.015910
ANISOTROPIC GAUSSIAN BROADENING = 0.000100 0.000000
0.000000
PEAK SHAPE PARAMETER Gam0 = 2.160947 -0.000027 0.026331
PEAK SHAPE PARAMETER Gam1 = 0.000000 0.000000 0.000000
PEAK SHAPE PARAMETER Gam2 = 0.000000 0.000000 0.000000
EXTINCTION PARAMETER = 0.000000 0.000000 0.000000

+--------------------------------------------------------------------------
----------------+
| Hist | Rp | Rwp | Rp(-b) | Rwp(-b)| Rexp |Durbin Unwght|
Durbin Wght | N-P |
+--------------------------------------------------------------------------
----------------+
| 1 | 8.02 | 9.68 | 43.39 | 7.20 | 23.90 |*********** |
2.008 | 1738 |
+--------------------------------------------------------------------------
----------------+
| SUMYDIF | SUMYOBS | SUMYCALC | SUMWYOBSSQ | GOF | CONDITION |
+------------------------------------------------------------------------+
| 0.1634E+05| 0.2036E+06| 0.2036E+06| 0.3043E+05| 0.1642E+00| 0.4212E+13 |
+------------------------------------------------------------------------+

CORRELATION MATRIX=
1 2 3 4 5 6 7 8 9 10 11
12
1 -99 0 0 0 0 0 1 0 100 100 0
0
2 0 100 -1 2 1 0 1 -1 0 0 -44 -
15
3 0 -1 100 -95 -81 -3 4 -3 0 0 0
0
4 0 2 -95 100 74 5 -4 5 0 0 1
0
5 0 1 -81 74 100 2 -1 2 0 0 0
0
6 0 0 -3 5 2 100 -98 98 1 1 3 -
11
 7 1 1 4 -4 -1 -98 100 -99 0 0 -1
9
8 0 -1 -3 5 2 98 -99 100 1 1 0 -
10
9 100 0 0 0 0 1 0 1 -99 -99 0
0
10 100 0 0 0 0 1 0 1 -99 -99 0
0
11 0 -44 0 1 0 3 -1 0 0 0 100 -
19
12 0 -15 0 0 0 -11 9 -10 0 0 -19
100
AVERAGE INTENSITY DIFFERENCE FOR PATTERN,
GIVEN FOR BLOCKS OF 20 OBSERVATIONS.
1 1.1 2 2.7 3 -3.6 4 -1.3 5 -0.9 6 0.0
7 -3.5 8 -5.1 9 1.0 10 1.4
11 3.5 12 -0.9 13 -0.3 14 1.6 15 2.5 16 0.5
17 4.3 18 11.9 19 -1.4 20 -0.6
21 6.2 22 7.6 23 -2.6 24 -2.5 25 -0.8 26 -3.1
27 -2.0 28 -0.8 29 -3.7 30 -2.2
31 -1.8 32 -4.8 33 -2.7 34 1.7 35 1.0 36 -1.0
37 -3.7 38 -5.6 39 -4.1 40 -4.4
41 0.8 42 -7.6 43 -3.7 44 -2.9 45 -0.2 46 0.4
47 1.0 48 -1.1 49 1.3 50 4.8
51 0.5 52 5.3 53 -0.5 54 5.0 55 0.9 56 -0.3
57 -1.9 58 2.5 59 2.8 60 3.4
61 4.7 62 1.3 63 1.3 64 4.8 65 4.5 66 -0.6
67 -3.1 68 -1.5 69 1.6 70 3.1
71 1.5 72 0.1 73 -2.6 74 3.8 75 -6.0 76 4.4
77 -1.1 78 1.0 79 -0.3 80 0.7
81 -3.6 82 2.2 83 -1.5 84 -0.4 85 -0.7 86 -2.5
87 -4.2 88 -3.6
NO. CODE H K L HW SHAPE POSN ICALC COBS
DIFF ESD

1 1 0 1 1 0.166 2.161 25.258 4182. 4180. -

2.2 48.0
2 2 0 1 1 0.166 2.161 25.321 5651. 5654.
2.2 64.8
3 1 0 1 3 0.148 2.161 36.903 298. 298.
0.3 16.7
4 2 0 1 3 0.148 2.161 36.998 56. 56. -
0.1 3.1
5 1 0 0 4 0.149 2.161 37.767 1579. 1580.
0.9 59.2
6 2 0 0 4 0.149 2.161 37.864 604. 603. -
1.4 23.1
7 1 1 1 2 0.150 2.161 38.500 163. 164.
0.6 9.2
8 2 1 1 2 0.150 2.161 38.599 192. 191. -
0.2 11.1
9 1 0 2 0 0.182 2.161 47.935 1379. 1380.
0.7 61.6
10 2 0 2 0 0.183 2.161 48.062 1362. 1362. -
0.7 61.1
11 1 0 2 2 0.205 2.161 51.859 65. 65.
0.3 5.5
12 2 0 2 2 0.205 2.161 51.998 6. 6.
0.0 0.5
13 1 0 1 5 0.217 2.161 53.832 1292. 1293.
0.8 68.7
 14 2 0 1 5 0.218 2.161 53.976 849. 849. -
0.5 44.8
15 1 1 2 1 0.225 2.161 54.945 980. 980.
0.0 53.9
16 2 1 2 1 0.226 2.161 55.093 970. 970.
0.2 54.7
17 1 1 2 3 0.279 2.161 61.990 334. 335.
0.3 24.1
18 2 1 2 3 0.281 2.161 62.161 159. 159.
0.1 11.0
19 1 0 2 4 0.284 2.161 62.582 878. 878. -
0.0 57.2
20 2 0 2 4 0.286 2.161 62.755 638. 638.
0.1 42.6
21 1 1 1 6 0.340 2.161 68.677 311. 311. -
0.5 23.8
22 2 1 1 6 0.341 2.161 68.871 737. 738.
1.0 55.6
23 1 2 2 0 0.354 2.161 70.127 279. 279.
0.2 21.7
24 2 2 2 0 0.356 2.161 70.327 546. 546. -
0.0 42.8
25 1 0 1 7 0.393 2.161 73.983 52. 51. -
0.4 4.3
26 2 0 1 7 0.395 2.161 74.198 47. 47. -
0.1 3.8
27 1 1 2 5 0.403 2.161 74.922 873. 874.
1.0 64.4
28 2 1 2 5 0.405 2.161 75.140 448. 449.
0.9 33.3
29 1 0 3 1 0.413 2.161 75.857 85. 85. -
0.6 6.8
30 2 0 3 1 0.416 2.161 76.079 68. 68. -
0.4 5.6
31 1 0 2 6 0.443 2.161 78.544 0. 0. -
0.0 0.0
32 2 0 2 6 0.446 2.161 78.777 0. 0. -
0.0 0.0
DERIVED BRAGG R-FACTOR= 0.07