Output from Program DRAGON-WWW

Generation of hkl and 2q

Cubic 7.92 A Unit Cell

Cell parameters

a (Å) b (Å) c (Å) a (°) b (°) g (°) V (Å³)
7.92000 7.92000 7.92000 90.000 90.000 90.000 496.8

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 152 Number output to browser is 152

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 7.9200 11.171 6 3 0 24 1.1806 81.527 6 5 4 48 0.9026 117.323

1 1 0 12 5.6003 15.824 5 4 2 48 1.1806 81.527 7 5 2 48 0.8968 118.551

1 1 1 8 4.5726 19.412 6 3 1 48 1.1677 82.623 8 4 0 24 0.8855 121.054

2 0 0 6 3.9600 22.451 4 4 4 8 1.1432 84.808 9 0 0 6 0.8800 122.330

2 1 0 24 3.5419 25.142 7 0 0 6 1.1314 85.897 8 4 1 48 0.8800 122.330

2 1 1 24 3.2333 27.587 6 3 2 48 1.1314 85.897 6 6 3 24 0.8800 122.330

2 2 0 12 2.8001 31.960 5 5 0 12 1.1201 86.985 7 4 4 24 0.8800 122.330

3 0 0 6 2.6400 33.956 5 4 3 48 1.1201 86.985 9 1 0 24 0.8746 123.624

2 2 1 24 2.6400 33.956 7 1 0 24 1.1201 86.985 8 3 3 24 0.8746 123.624

3 1 0 24 2.5045 35.853 7 1 1 24 1.1090 88.072 9 1 1 24 0.8693 124.938

3 1 1 24 2.3880 37.667 5 5 1 24 1.1090 88.072 7 5 3 48 0.8693 124.938

2 2 2 8 2.2863 39.410 6 4 0 24 1.0983 89.158 8 4 2 48 0.8641 126.273

3 2 0 24 2.1966 41.090 7 2 0 24 1.0879 90.243 9 2 0 24 0.8590 127.632

3 2 1 48 2.1167 42.716 6 4 1 48 1.0879 90.243 7 6 0 24 0.8590 127.632

4 0 0 6 1.9800 45.827 5 5 2 24 1.0778 91.329 9 2 1 48 0.8540 129.016

4 1 0 24 1.9209 47.322 6 3 3 24 1.0778 91.329 7 6 1 48 0.8540 129.016

3 2 2 24 1.9209 47.322 7 2 1 48 1.0778 91.329 6 5 5 24 0.8540 129.016

3 3 0 12 1.8668 48.781 6 4 2 48 1.0584 93.502 6 6 4 24 0.8443 131.869

4 1 1 24 1.8668 48.781 7 2 2 24 1.0490 94.591 8 5 0 24 0.8395 133.344

3 3 1 24 1.8170 50.209 5 4 4 24 1.0490 94.591 9 2 2 24 0.8395 133.344

4 2 0 24 1.7710 51.608 7 3 0 24 1.0399 95.681 7 6 2 48 0.8395 133.344

4 2 1 48 1.7283 52.980 7 3 1 48 1.0311 96.773 8 4 3 48 0.8395 133.344

3 3 2 24 1.6885 54.328 5 5 3 24 1.0311 96.773 8 5 1 48 0.8348 134.856

4 2 2 24 1.6167 56.958 6 5 0 24 1.0141 98.965 9 3 0 24 0.8348 134.856

5 0 0 6 1.5840 58.244 6 4 3 48 1.0141 98.965 7 5 4 48 0.8348 134.856

4 3 0 24 1.5840 58.244 6 5 1 48 1.0058 100.066 9 3 1 48 0.8302 136.408

5 1 0 24 1.5532 59.512 7 3 2 48 1.0058 100.066 8 5 2 48 0.8213 139.656

4 3 1 48 1.5532 59.512 8 0 0 6 0.9900 102.279 9 3 2 48 0.8169 141.363

5 1 1 24 1.5242 60.764 8 1 0 24 0.9824 103.393 7 6 3 48 0.8169 141.363

3 3 3 8 1.5242 60.764 6 5 2 48 0.9824 103.393 8 4 4 24 0.8083 144.986

5 2 0 24 1.4707 63.224 7 4 0 24 0.9824 103.393 6 6 5 24 0.8042 146.925

4 3 2 48 1.4707 63.224 8 1 1 24 0.9749 104.511 9 4 0 24 0.8042 146.925

5 2 1 48 1.4460 64.433 7 4 1 48 0.9749 104.511 7 7 0 12 0.8000 148.971

4 4 0 12 1.4001 66.817 5 5 4 24 0.9749 104.511 9 4 1 48 0.8000 148.971

4 4 1 24 1.3787 67.993 7 3 3 24 0.9676 105.636 8 5 3 48 0.8000 148.971

5 2 2 24 1.3787 67.993 8 2 0 24 0.9604 106.766 7 7 1 24 0.7960 151.147

5 3 0 24 1.3583 69.160 6 4 4 24 0.9604 106.766 9 3 3 24 0.7960 151.147

4 3 3 24 1.3583 69.160 8 2 1 48 0.9535 107.904 7 5 5 24 0.7960 151.147

5 3 1 48 1.3387 70.317 7 4 2 48 0.9535 107.904 10 0 0 6 0.7920 153.483

6 0 0 6 1.3200 71.466 6 5 3 48 0.9466 109.048 8 6 0 24 0.7920 153.483

4 4 2 24 1.3200 71.466 6 6 0 12 0.9334 111.362 10 1 0 24 0.7881 156.029

6 1 0 24 1.3020 72.607 8 2 2 24 0.9334 111.362 8 6 1 48 0.7881 156.029

5 3 2 48 1.2848 73.741 8 3 0 24 0.9270 112.532 9 4 2 48 0.7881 156.029

6 1 1 24 1.2848 73.741 6 6 1 24 0.9270 112.532 7 6 4 48 0.7881 156.029

6 2 0 24 1.2523 75.991 7 5 0 24 0.9207 113.713 10 1 1 24 0.7842 158.860

5 4 0 24 1.2369 77.107 8 3 1 48 0.9207 113.713 7 7 2 24 0.7842 158.860

6 2 1 48 1.2369 77.107 7 4 3 48 0.9207 113.713 10 2 0 24 0.7766 166.071

4 4 3 24 1.2369 77.107 7 5 1 48 0.9145 114.904 8 6 2 48 0.7766 166.071

5 4 1 48 1.2221 78.218 5 5 5 8 0.9145 114.904 10 2 1 48 0.7729 171.707

5 3 3 24 1.2078 79.325 6 6 2 24 0.9085 116.107 8 5 4 48 0.7729 171.708

6 2 2 24 1.1940 80.428 8 3 2 48 0.9026 117.323

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Author(s): Jeremy Karl Cockcroft

a (Å)	b (Å)	c (Å)	a (°)	b (°)	g (°)	V (Å³)
7.92000	7.92000	7.92000	90.000	90.000	90.000	496.8

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	7.9200	11.171	6	3	0	24	1.1806	81.527	6	5	4	48	0.9026	117.323
1	1	0	12	5.6003	15.824	5	4	2	48	1.1806	81.527	7	5	2	48	0.8968	118.551
1	1	1	8	4.5726	19.412	6	3	1	48	1.1677	82.623	8	4	0	24	0.8855	121.054
2	0	0	6	3.9600	22.451	4	4	4	8	1.1432	84.808	9	0	0	6	0.8800	122.330
2	1	0	24	3.5419	25.142	7	0	0	6	1.1314	85.897	8	4	1	48	0.8800	122.330
2	1	1	24	3.2333	27.587	6	3	2	48	1.1314	85.897	6	6	3	24	0.8800	122.330
2	2	0	12	2.8001	31.960	5	5	0	12	1.1201	86.985	7	4	4	24	0.8800	122.330
3	0	0	6	2.6400	33.956	5	4	3	48	1.1201	86.985	9	1	0	24	0.8746	123.624
2	2	1	24	2.6400	33.956	7	1	0	24	1.1201	86.985	8	3	3	24	0.8746	123.624
3	1	0	24	2.5045	35.853	7	1	1	24	1.1090	88.072	9	1	1	24	0.8693	124.938
3	1	1	24	2.3880	37.667	5	5	1	24	1.1090	88.072	7	5	3	48	0.8693	124.938
2	2	2	8	2.2863	39.410	6	4	0	24	1.0983	89.158	8	4	2	48	0.8641	126.273
3	2	0	24	2.1966	41.090	7	2	0	24	1.0879	90.243	9	2	0	24	0.8590	127.632
3	2	1	48	2.1167	42.716	6	4	1	48	1.0879	90.243	7	6	0	24	0.8590	127.632
4	0	0	6	1.9800	45.827	5	5	2	24	1.0778	91.329	9	2	1	48	0.8540	129.016
4	1	0	24	1.9209	47.322	6	3	3	24	1.0778	91.329	7	6	1	48	0.8540	129.016
3	2	2	24	1.9209	47.322	7	2	1	48	1.0778	91.329	6	5	5	24	0.8540	129.016
3	3	0	12	1.8668	48.781	6	4	2	48	1.0584	93.502	6	6	4	24	0.8443	131.869
4	1	1	24	1.8668	48.781	7	2	2	24	1.0490	94.591	8	5	0	24	0.8395	133.344
3	3	1	24	1.8170	50.209	5	4	4	24	1.0490	94.591	9	2	2	24	0.8395	133.344
4	2	0	24	1.7710	51.608	7	3	0	24	1.0399	95.681	7	6	2	48	0.8395	133.344
4	2	1	48	1.7283	52.980	7	3	1	48	1.0311	96.773	8	4	3	48	0.8395	133.344
3	3	2	24	1.6885	54.328	5	5	3	24	1.0311	96.773	8	5	1	48	0.8348	134.856
4	2	2	24	1.6167	56.958	6	5	0	24	1.0141	98.965	9	3	0	24	0.8348	134.856
5	0	0	6	1.5840	58.244	6	4	3	48	1.0141	98.965	7	5	4	48	0.8348	134.856
4	3	0	24	1.5840	58.244	6	5	1	48	1.0058	100.066	9	3	1	48	0.8302	136.408
5	1	0	24	1.5532	59.512	7	3	2	48	1.0058	100.066	8	5	2	48	0.8213	139.656
4	3	1	48	1.5532	59.512	8	0	0	6	0.9900	102.279	9	3	2	48	0.8169	141.363
5	1	1	24	1.5242	60.764	8	1	0	24	0.9824	103.393	7	6	3	48	0.8169	141.363
3	3	3	8	1.5242	60.764	6	5	2	48	0.9824	103.393	8	4	4	24	0.8083	144.986
5	2	0	24	1.4707	63.224	7	4	0	24	0.9824	103.393	6	6	5	24	0.8042	146.925
4	3	2	48	1.4707	63.224	8	1	1	24	0.9749	104.511	9	4	0	24	0.8042	146.925
5	2	1	48	1.4460	64.433	7	4	1	48	0.9749	104.511	7	7	0	12	0.8000	148.971
4	4	0	12	1.4001	66.817	5	5	4	24	0.9749	104.511	9	4	1	48	0.8000	148.971
4	4	1	24	1.3787	67.993	7	3	3	24	0.9676	105.636	8	5	3	48	0.8000	148.971
5	2	2	24	1.3787	67.993	8	2	0	24	0.9604	106.766	7	7	1	24	0.7960	151.147
5	3	0	24	1.3583	69.160	6	4	4	24	0.9604	106.766	9	3	3	24	0.7960	151.147
4	3	3	24	1.3583	69.160	8	2	1	48	0.9535	107.904	7	5	5	24	0.7960	151.147
5	3	1	48	1.3387	70.317	7	4	2	48	0.9535	107.904	10	0	0	6	0.7920	153.483
6	0	0	6	1.3200	71.466	6	5	3	48	0.9466	109.048	8	6	0	24	0.7920	153.483
4	4	2	24	1.3200	71.466	6	6	0	12	0.9334	111.362	10	1	0	24	0.7881	156.029
6	1	0	24	1.3020	72.607	8	2	2	24	0.9334	111.362	8	6	1	48	0.7881	156.029
5	3	2	48	1.2848	73.741	8	3	0	24	0.9270	112.532	9	4	2	48	0.7881	156.029
6	1	1	24	1.2848	73.741	6	6	1	24	0.9270	112.532	7	6	4	48	0.7881	156.029
6	2	0	24	1.2523	75.991	7	5	0	24	0.9207	113.713	10	1	1	24	0.7842	158.860
5	4	0	24	1.2369	77.107	8	3	1	48	0.9207	113.713	7	7	2	24	0.7842	158.860
6	2	1	48	1.2369	77.107	7	4	3	48	0.9207	113.713	10	2	0	24	0.7766	166.071
4	4	3	24	1.2369	77.107	7	5	1	48	0.9145	114.904	8	6	2	48	0.7766	166.071
5	4	1	48	1.2221	78.218	5	5	5	8	0.9145	114.904	10	2	1	48	0.7729	171.707
5	3	3	24	1.2078	79.325	6	6	2	24	0.9085	116.107	8	5	4	48	0.7729	171.708
6	2	2	24	1.1940	80.428	8	3	2	48	0.9026	117.323