Table 5. The top ten structure-mining results for the NaFeSi₂O₆ nanowire experimental X-ray PDF using heuristic 4 on data from the MPD and COD, fetching all the structures that contain Si and O elements and two other arbitrary elements with any stoichiometry, i.e. *1-*2-Si-O (where the *1 and *2 represent the first and the second atoms in the formula, respectively).

See the caption of Table 2 ▸ for an explanation of the entries. The full table can be found in the supporting information CSV files. The refined lattice parameters and ADPs are listed. The initial lattice parameters are available in the supporting information but are not reproduced here. They are all very close to refined values.

DB No.	Rw	Formula	s.g.	*1 U iso (Å2)	*2 U iso (Å2)	Si U iso (Å2)	O U iso (Å2)	a r (Å)	b r (Å)	c r (Å)	βr (°)	SPD (Å)	DB ID
MPD 1021	0.341	NaGaSi2O6		0.0193	0.0053	0.0048	0.0118	9.69	8.81	5.32	107.5	34.0	mp-6822
COD 709	0.345	NaGaSi2O6		0.0174	0.0054	0.0049	0.0112	9.68	8.81	5.32	107.5	33.8	2004306
COD 2935	0.345	NaGaSi2O6		0.0174	0.0054	0.0049	0.0112	9.68	8.81	5.32	107.5	33.8	9011383
COD 2809	0.345	NaGaSi2O6		0.0173	0.0054	0.0048	0.0112	9.68	8.81	5.32	107.5	33.8	9010186
COD 2983	0.348	NaFeSi2O6		0.0249	0.0033	0.0088	0.0129	9.68	8.82	5.32	107.5	34.1	9013274
COD 2513	0.348	NaFeSi2O6		0.0214	0.0035	0.0070	0.0144	9.68	8.82	5.32	107.5	34.7	9005439
MPD 377	0.349	Ca0.5NiSi2O6	C2	0.0118	0.0041	0.0052	0.0136	9.68	8.81	5.31	107.4	32.9	mvc-12761
COD 1856	0.352	NaFeSi2O6		0.0221	0.0033	0.0079	0.0137	9.69	8.81	5.32	107.6	34.6	9000327
COD 2805	0.353	NaFeSi2O6		0.0227	0.0032	0.0082	0.0135	9.69	8.81	5.32	107.6	34.7	9010095
MPD 294	0.353	Ca0.5CoSi2O6	C2	0.0277	0.0042	0.0050	0.0231	9.68	8.82	5.32	107.3	34.8	mvc-11818