Output from Program DRAGON-WWW

Generation of hkl and 2q

Cubic 8 A Unit Cell

Cell parameters

a (Å) b (Å) c (Å) a (°) b (°) g (°) V (Å³)
8.00000 8.00000 8.00000 90.000 90.000 90.000 512.0

Wavelength = 1.54178 Å 2q Maximum = 179.999° Zero Error = 0.000° Minimum d-spacing = 0.77089 Å

Space group is Pm-3m Lattice = P 1^st symbol = m 2^nd symbol = -3 3^rd symbol = m Crystal class is m -3 m

Space group has no extinction conditions

Number of generated reflections is 156 Number output to browser is 156

h k l J d (Å) 2q (°) h k l J d (Å) 2q (°) h k l J d (Å) 2q (°)

1 0 0 6 8.0000 11.059 5 4 2 48 1.1926 80.543 8 4 0 24 0.8944 119.057

1 1 0 12 5.6569 15.665 6 3 1 48 1.1795 81.620 9 0 0 6 0.8889 120.282

1 1 1 8 4.6188 19.216 4 4 4 8 1.1547 83.766 8 4 1 48 0.8889 120.282

2 0 0 6 4.0000 22.223 7 0 0 6 1.1429 84.835 6 6 3 24 0.8889 120.282

2 1 0 24 3.5777 24.886 6 3 2 48 1.1429 84.835 7 4 4 24 0.8889 120.282

2 1 1 24 3.2660 27.305 7 1 0 24 1.1314 85.903 9 1 0 24 0.8835 121.522

2 2 0 12 2.8284 31.632 5 5 0 12 1.1314 85.903 8 3 3 24 0.8835 121.522

3 0 0 6 2.6667 33.606 5 4 3 48 1.1314 85.903 9 1 1 24 0.8781 122.778

2 2 1 24 2.6667 33.606 7 1 1 24 1.1202 86.969 7 5 3 48 0.8781 122.778

3 1 0 24 2.5298 35.483 5 5 1 24 1.1202 86.969 8 4 2 48 0.8729 124.053

3 1 1 24 2.4121 37.277 6 4 0 24 1.1094 88.034 9 2 0 24 0.8677 125.347

2 2 2 8 2.3094 39.000 7 2 0 24 1.0989 89.098 7 6 0 24 0.8677 125.347

3 2 0 24 2.2188 40.661 6 4 1 48 1.0989 89.098 9 2 1 48 0.8627 126.663

3 2 1 48 2.1381 42.268 7 2 1 48 1.0887 90.162 7 6 1 48 0.8627 126.663

4 0 0 6 2.0000 45.343 5 5 2 24 1.0887 90.162 6 5 5 24 0.8627 126.663

4 1 0 24 1.9403 46.820 6 3 3 24 1.0887 90.162 6 6 4 24 0.8528 129.364

3 2 2 24 1.9403 46.820 6 4 2 48 1.0690 92.291 8 5 0 24 0.8480 130.754

3 3 0 12 1.8856 48.262 7 2 2 24 1.0596 93.356 9 2 2 24 0.8480 130.754

4 1 1 24 1.8856 48.262 5 4 4 24 1.0596 93.356 7 6 2 48 0.8480 130.754

3 3 1 24 1.8353 49.673 7 3 0 24 1.0505 94.423 8 4 3 48 0.8480 130.754

4 2 0 24 1.7889 51.055 7 3 1 48 1.0415 95.491 9 3 0 24 0.8433 132.174

4 2 1 48 1.7457 52.410 5 5 3 24 1.0415 95.491 8 5 1 48 0.8433 132.174

3 3 2 24 1.7056 53.741 6 5 0 24 1.0243 97.633 7 5 4 48 0.8433 132.174

4 2 2 24 1.6330 56.338 6 4 3 48 1.0243 97.633 9 3 1 48 0.8386 133.627

5 0 0 6 1.6000 57.607 6 5 1 48 1.0160 98.708 8 5 2 48 0.8296 136.644

4 3 0 24 1.6000 57.607 7 3 2 48 1.0160 98.708 9 3 2 48 0.8251 138.217

5 1 0 24 1.5689 58.858 8 0 0 6 1.0000 100.868 7 6 3 48 0.8251 138.217

4 3 1 48 1.5689 58.858 8 1 0 24 0.9923 101.953 8 4 4 24 0.8165 141.519

5 1 1 24 1.5396 60.094 7 4 0 24 0.9923 101.953 9 4 0 24 0.8123 143.263

3 3 3 8 1.5396 60.094 6 5 2 48 0.9923 101.953 6 6 5 24 0.8123 143.263

5 2 0 24 1.4856 62.520 8 1 1 24 0.9847 103.043 7 7 0 12 0.8081 145.080

4 3 2 48 1.4856 62.520 7 4 1 48 0.9847 103.043 9 4 1 48 0.8081 145.080

5 2 1 48 1.4606 63.713 5 5 4 24 0.9847 103.043 8 5 3 48 0.8081 145.080

4 4 0 12 1.4142 66.063 7 3 3 24 0.9774 104.138 7 7 1 24 0.8040 146.985

4 4 1 24 1.3926 67.222 8 2 0 24 0.9701 105.238 9 3 3 24 0.8040 146.985

5 2 2 24 1.3926 67.222 6 4 4 24 0.9701 105.238 7 5 5 24 0.8040 146.985

5 3 0 24 1.3720 68.372 8 2 1 48 0.9631 106.344 10 0 0 6 0.8000 148.992

4 3 3 24 1.3720 68.372 7 4 2 48 0.9631 106.344 8 6 0 24 0.8000 148.992

5 3 1 48 1.3522 69.512 6 5 3 48 0.9562 107.456 10 1 0 24 0.7960 151.124

6 0 0 6 1.3333 70.644 6 6 0 12 0.9428 109.701 8 6 1 48 0.7960 151.124

4 4 2 24 1.3333 70.644 8 2 2 24 0.9428 109.701 9 4 2 48 0.7960 151.124

6 1 0 24 1.3152 71.768 8 3 0 24 0.9363 110.835 7 6 4 48 0.7960 151.124

6 1 1 24 1.2978 72.884 6 6 1 24 0.9363 110.835 10 1 1 24 0.7921 153.411

5 3 2 48 1.2978 72.884 7 5 0 24 0.9300 111.978 7 7 2 24 0.7921 153.411

6 2 0 24 1.2649 75.098 8 3 1 48 0.9300 111.978 10 2 0 24 0.7845 158.651

5 4 0 24 1.2494 76.197 7 4 3 48 0.9300 111.978 8 6 2 48 0.7845 158.651

6 2 1 48 1.2494 76.197 7 5 1 48 0.9238 113.130 10 2 1 48 0.7807 161.797

4 4 3 24 1.2494 76.197 5 5 5 8 0.9238 113.130 8 5 4 48 0.7807 161.797

5 4 1 48 1.2344 77.290 6 6 2 24 0.9177 114.292 9 5 0 24 0.7770 165.586

5 3 3 24 1.2200 78.378 8 3 2 48 0.9117 115.465 9 4 3 48 0.7770 165.586

6 2 2 24 1.2060 79.463 6 5 4 48 0.9117 115.465 9 5 1 48 0.7734 170.785

6 3 0 24 1.1926 80.543 7 5 2 48 0.9058 116.650 7 7 3 24 0.7734 170.785

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Author(s): Jeremy Karl Cockcroft

a (Å)	b (Å)	c (Å)	a (°)	b (°)	g (°)	V (Å³)
8.00000	8.00000	8.00000	90.000	90.000	90.000	512.0

h	k	l	J	d (Å)	2q (°)	h	k	l	J	d (Å)	2q (°)	h	k	l	J	d (Å)	2q (°)
1	0	0	6	8.0000	11.059	5	4	2	48	1.1926	80.543	8	4	0	24	0.8944	119.057
1	1	0	12	5.6569	15.665	6	3	1	48	1.1795	81.620	9	0	0	6	0.8889	120.282
1	1	1	8	4.6188	19.216	4	4	4	8	1.1547	83.766	8	4	1	48	0.8889	120.282
2	0	0	6	4.0000	22.223	7	0	0	6	1.1429	84.835	6	6	3	24	0.8889	120.282
2	1	0	24	3.5777	24.886	6	3	2	48	1.1429	84.835	7	4	4	24	0.8889	120.282
2	1	1	24	3.2660	27.305	7	1	0	24	1.1314	85.903	9	1	0	24	0.8835	121.522
2	2	0	12	2.8284	31.632	5	5	0	12	1.1314	85.903	8	3	3	24	0.8835	121.522
3	0	0	6	2.6667	33.606	5	4	3	48	1.1314	85.903	9	1	1	24	0.8781	122.778
2	2	1	24	2.6667	33.606	7	1	1	24	1.1202	86.969	7	5	3	48	0.8781	122.778
3	1	0	24	2.5298	35.483	5	5	1	24	1.1202	86.969	8	4	2	48	0.8729	124.053
3	1	1	24	2.4121	37.277	6	4	0	24	1.1094	88.034	9	2	0	24	0.8677	125.347
2	2	2	8	2.3094	39.000	7	2	0	24	1.0989	89.098	7	6	0	24	0.8677	125.347
3	2	0	24	2.2188	40.661	6	4	1	48	1.0989	89.098	9	2	1	48	0.8627	126.663
3	2	1	48	2.1381	42.268	7	2	1	48	1.0887	90.162	7	6	1	48	0.8627	126.663
4	0	0	6	2.0000	45.343	5	5	2	24	1.0887	90.162	6	5	5	24	0.8627	126.663
4	1	0	24	1.9403	46.820	6	3	3	24	1.0887	90.162	6	6	4	24	0.8528	129.364
3	2	2	24	1.9403	46.820	6	4	2	48	1.0690	92.291	8	5	0	24	0.8480	130.754
3	3	0	12	1.8856	48.262	7	2	2	24	1.0596	93.356	9	2	2	24	0.8480	130.754
4	1	1	24	1.8856	48.262	5	4	4	24	1.0596	93.356	7	6	2	48	0.8480	130.754
3	3	1	24	1.8353	49.673	7	3	0	24	1.0505	94.423	8	4	3	48	0.8480	130.754
4	2	0	24	1.7889	51.055	7	3	1	48	1.0415	95.491	9	3	0	24	0.8433	132.174
4	2	1	48	1.7457	52.410	5	5	3	24	1.0415	95.491	8	5	1	48	0.8433	132.174
3	3	2	24	1.7056	53.741	6	5	0	24	1.0243	97.633	7	5	4	48	0.8433	132.174
4	2	2	24	1.6330	56.338	6	4	3	48	1.0243	97.633	9	3	1	48	0.8386	133.627
5	0	0	6	1.6000	57.607	6	5	1	48	1.0160	98.708	8	5	2	48	0.8296	136.644
4	3	0	24	1.6000	57.607	7	3	2	48	1.0160	98.708	9	3	2	48	0.8251	138.217
5	1	0	24	1.5689	58.858	8	0	0	6	1.0000	100.868	7	6	3	48	0.8251	138.217
4	3	1	48	1.5689	58.858	8	1	0	24	0.9923	101.953	8	4	4	24	0.8165	141.519
5	1	1	24	1.5396	60.094	7	4	0	24	0.9923	101.953	9	4	0	24	0.8123	143.263
3	3	3	8	1.5396	60.094	6	5	2	48	0.9923	101.953	6	6	5	24	0.8123	143.263
5	2	0	24	1.4856	62.520	8	1	1	24	0.9847	103.043	7	7	0	12	0.8081	145.080
4	3	2	48	1.4856	62.520	7	4	1	48	0.9847	103.043	9	4	1	48	0.8081	145.080
5	2	1	48	1.4606	63.713	5	5	4	24	0.9847	103.043	8	5	3	48	0.8081	145.080
4	4	0	12	1.4142	66.063	7	3	3	24	0.9774	104.138	7	7	1	24	0.8040	146.985
4	4	1	24	1.3926	67.222	8	2	0	24	0.9701	105.238	9	3	3	24	0.8040	146.985
5	2	2	24	1.3926	67.222	6	4	4	24	0.9701	105.238	7	5	5	24	0.8040	146.985
5	3	0	24	1.3720	68.372	8	2	1	48	0.9631	106.344	10	0	0	6	0.8000	148.992
4	3	3	24	1.3720	68.372	7	4	2	48	0.9631	106.344	8	6	0	24	0.8000	148.992
5	3	1	48	1.3522	69.512	6	5	3	48	0.9562	107.456	10	1	0	24	0.7960	151.124
6	0	0	6	1.3333	70.644	6	6	0	12	0.9428	109.701	8	6	1	48	0.7960	151.124
4	4	2	24	1.3333	70.644	8	2	2	24	0.9428	109.701	9	4	2	48	0.7960	151.124
6	1	0	24	1.3152	71.768	8	3	0	24	0.9363	110.835	7	6	4	48	0.7960	151.124
6	1	1	24	1.2978	72.884	6	6	1	24	0.9363	110.835	10	1	1	24	0.7921	153.411
5	3	2	48	1.2978	72.884	7	5	0	24	0.9300	111.978	7	7	2	24	0.7921	153.411
6	2	0	24	1.2649	75.098	8	3	1	48	0.9300	111.978	10	2	0	24	0.7845	158.651
5	4	0	24	1.2494	76.197	7	4	3	48	0.9300	111.978	8	6	2	48	0.7845	158.651
6	2	1	48	1.2494	76.197	7	5	1	48	0.9238	113.130	10	2	1	48	0.7807	161.797
4	4	3	24	1.2494	76.197	5	5	5	8	0.9238	113.130	8	5	4	48	0.7807	161.797
5	4	1	48	1.2344	77.290	6	6	2	24	0.9177	114.292	9	5	0	24	0.7770	165.586
5	3	3	24	1.2200	78.378	8	3	2	48	0.9117	115.465	9	4	3	48	0.7770	165.586
6	2	2	24	1.2060	79.463	6	5	4	48	0.9117	115.465	9	5	1	48	0.7734	170.785
6	3	0	24	1.1926	80.543	7	5	2	48	0.9058	116.650	7	7	3	24	0.7734	170.785