La(Ti,Cr,Mn,Fe,Co,Ni,Cu)O₃ [Pnma]

Fit result

Overall status	Success
time	0.12 s
iterations	13
reduced χ²	0.17
Rwp	1.57 %
Rwp, p021	1.57 %

Fitted parameters

#	datablock	category	entry	parameter	units	start	value	s.u.	change
1	lam7o3	cell		length_a	Å	5.46222	5.46220	0.00011
2	lam7o3	cell		length_b	Å	7.73307	7.73301	0.00016
3	lam7o3	cell		length_c	Å	5.49031	5.49024	0.00011
4	lam7o3	atom_site	La	fract_x		0.476638	0.47678	0.00008
5	lam7o3	atom_site	La	fract_z		0.00573282	0.0045	0.0003	21.7% ↓
6	lam7o3	atom_site	La	adp_iso	Å²	0.5	0.592	0.010	18.5% ↑
7	lam7o3	atom_site	Ti	adp_iso	Å²	0.5	0.402	0.014	19.6% ↓
8	lam7o3	atom_site	O1	fract_x		0.50864	0.5088	0.0010
9	lam7o3	atom_site	O1	fract_z		0.566684	0.5690	0.0016	0.4% ↑
10	lam7o3	atom_site	O1	adp_iso	Å²	0.5	0.31	0.07	38.1% ↓
11	lam7o3	atom_site	O2	fract_x		0.220678	0.2215	0.0014	0.4% ↑
12	lam7o3	atom_site	O2	fract_y		0.0331605	0.0346	0.0010	4.4% ↑
13	lam7o3	atom_site	O2	fract_z		0.276846	0.2754	0.0014	0.5% ↓
14	p021	peak		broad_gauss_u	deg²	0.0615778	0.051	0.008	17.8% ↓
15	p021	peak		broad_gauss_v	deg²	-0.00862856	-0.0075	0.0010	13.6% ↑
16	p021	peak		broad_gauss_w	deg²	0.00123734	0.00122	0.00003	1.5% ↓
17	p021	peak		broad_lorentz_x	deg	0.169624	0.166	0.002	2.4% ↓
18	p021	instrument		calib_twotheta_offset	deg	-6.42×10⁻⁴	-6.9×10⁻⁴	0.6×10⁻⁴	7.0% ↓
19	p021	linked_structure	lam7o3	scale		3.67×10⁻⁶	3.680×10⁻⁶	0.007×10⁻⁶	0.4% ↑
20	p021	background	1	intensity		581.592	582	4
21	p021	background	2	intensity		687.162	687	3
22	p021	background	3	intensity		938.193	940	4	0.1% ↑
23	p021	background	4	intensity		995.642	995	5
24	p021	background	5	intensity		951.967	953	4	0.1% ↑
25	p021	background	6	intensity		689.689	690	3
26	p021	background	7	intensity		596.613	596	3
27	p021	background	8	intensity		519.237	521	3	0.3% ↑
28	p021	background	9	intensity		428.303	428.3	1.2
29	p021	background	10	intensity		408.119	410.6	1.2	0.6% ↑
30	p021	background	11	intensity		441.555	441.9	1.3	0.1% ↑
31	p021	background	12	intensity		431.913	435.5	1.6	0.8% ↑
32	p021	background	13	intensity		446.497	449	3	0.6% ↑
33	p021	background	14	intensity		421.19	424.8	1.8	0.9% ↑
34	p021	background	15	intensity		340.008	342.6	1.6	0.8% ↑
35	p021	background	16	intensity		340.253	344.0	1.9	1.1% ↑
36	p021	background	17	intensity		350.16	352.4	1.1	0.6% ↑
37	p021	background	18	intensity		307.492	312.7	1.2	1.7% ↑
38	p021	background	19	intensity		291.299	293.8	1.4	0.8% ↑
39	p021	background	20	intensity		260.853	262	3	0.3% ↑

startthe value before the fit
valuethe fitted value
s.u.its standard uncertainty
changehow far the fit moved it, in % of the start: ↑ up, ↓ down