Table 2. List of structure-factor amplitudes and phases of 45 strongest independent reflections of ₆ (with Pnma) and ₁₆ (with P1 and B2mm).

After the origin has been shifted from that of ₆ to (0, 0.25, 0.15625), the phases of symmetry-related reflections [Phase ₁₆ (P1)] are close to those required by the space group B2mm, with an average phase error of 7.8 and a maximum phase error of 22.5 compared with phases after imposing the B2mm symmetry.

			Amplitude	Phase											Phase 16 (B2mm)
6			6 and 16	6 (Pnma) and 16				16			Origin shifted (0, 0.025, 0.15625)				Symmetry-imposed
h	k	l		hkl	hk l	h k l	h kl	h	k	l	hkl	h kl	hk l	h k l	hkl
0	8	0	2815	0	0	0	0	0	8	0	0	0	0	0	0
0	0	10	2338	0	0	0	0	0	0	26	23	23	338	338	0
8	4	3	2279	0	180	180	0	8	4	8	90	90	90	90	90
18	0	3	2262	180	0	0	180	18	0	8	270	270	270	270	270
10	4	0	2259	180	180	180	180	10	4	0	180	180	180	180	180
11	0	8	2211	180	0	0	180	11	0	21	281	281	259	259	270
3	4	5	2205	180	180	180	180	3	4	13	191	191	169	169	180
7	0	5	2036	0	0	0	0	7	0	13	11	11	349	349	0
11	0	2	2021	0	180	180	0	11	0	5	281	281	259	259	270
0	0	6	2018	180	180	180	180	0	0	16	0	0	0	0	0
0	16	0	1567	0	0	0	0	0	16	0	0	0	0	0	0
26	4	0	1471	0	0	0	0	26	4	0	0	0	0	0	0
8	4	13	1471	0	180	180	0	8	4	34	113	113	68	68	90
0	8	10	1457	0	0	0	0	0	8	26	23	23	338	338	0
18	8	3	1454	180	0	0	180	18	8	8	270	270	270	270	270
21	4	8	1433	0	180	180	0	21	4	21	101	101	79	79	90
11	8	8	1406	180	0	0	180	11	8	21	281	281	259	259	270
8	12	3	1288	0	180	180	0	8	12	8	90	90	90	90	90
13	7	5	1275	0	0	180	180	13	7	13	281	281	259	259	270
19	4	5	1269	0	0	0	0	19	4	13	11	11	349	349	0
16	7	0	1269	0	0	180	180	16	7	0	270	270	270	270	270
10	4	10	1256	180	180	180	180	10	4	26	203	203	158	158	180
5	7	8	1241	0	180	0	180	5	7	21	11	11	349	349	0
0	4	0	1234	180	180	180	180	0	4	0	180	180	180	180	180
15	4	8	1216	0	180	180	0	15	4	21	101	101	79	79	90
10	12	0	1194	180	180	180	180	10	12	0	180	180	180	180	180
0	8	6	1181	180	180	180	180	0	8	16	0	0	0	0	0
21	4	2	1178	180	0	0	180	21	4	5	101	101	79	79	90
3	4	11	1169	0	0	0	0	3	4	29	191	191	169	169	180
5	7	2	1163	180	0	180	0	5	7	5	11	11	349	349	0
3	12	5	1162	180	180	180	180	3	12	13	191	191	169	169	180
11	8	2	1151	0	180	180	0	11	8	5	281	281	259	259	270
7	8	5	1126	0	0	0	0	7	8	13	11	11	349	349	0
18	0	7	1057	0	180	180	0	18	0	18	293	293	248	248	270
2	7	3	1038	0	180	0	180	2	7	8	0	0	0	0	0
0	14	0	1035	180	180	180	180	0	14	0	0	0	0	0	0
8	11	3	1010	180	0	180	0	8	11	8	180	180	180	180	180
7	0	11	998	180	180	180	180	7	0	29	11	11	349	349	0
10	0	0	973	0	0	0	0	10	0	0	0	0	0	0	0
15	4	2	970	180	0	0	180	15	4	5	101	101	79	79	90
10	11	0	961	180	180	0	0	10	11	0	90	90	90	90	90
3	11	5	959	180	180	0	0	3	11	13	101	101	79	79	90
22	0	0	955	180	180	180	180	22	0	0	180	180	180	180	180
8	4	7	952	180	0	0	180	8	4	18	113	113	68	68	90
19	12	5	903	0	0	0	0	19	12	13	11	11	349	349	0