La(Ti,Cr,Mn,Fe,Co,Ni,Cu)O₃ [Pnma]

Fit result

Overall status	Success
time	0.11 s
iterations	14
reduced χ²	0.19
Rwp	1.68 %
Rwp, p021	1.68 %

Fitted parameters

#	datablock	category	entry	parameter	units	start	value	s.u.	change
1	lam7o3	cell		length_a	Å	5.46218	5.46222	0.00011
2	lam7o3	cell		length_b	Å	7.73306	7.73307	0.00017
3	lam7o3	cell		length_c	Å	5.49048	5.49031	0.00012
4	lam7o3	atom_site	La	fract_x		0.48	0.47664	0.00008	0.7% ↓
5	lam7o3	atom_site	La	fract_z		0	0.0057	0.0003
6	lam7o3	atom_site	O1	fract_x		0.51	0.5086	0.0011	0.3% ↓
7	lam7o3	atom_site	O1	fract_z		0.57	0.5667	0.0017	0.6% ↓
8	lam7o3	atom_site	O2	fract_x		0.22	0.2207	0.0015	0.3% ↑
9	lam7o3	atom_site	O2	fract_y		0.03	0.0332	0.0010	10.5% ↑
10	lam7o3	atom_site	O2	fract_z		0.27	0.2768	0.0015	2.5% ↑
11	p021	peak		broad_gauss_u	deg²	0.0698062	0.062	0.009	11.8% ↓
12	p021	peak		broad_gauss_v	deg²	-0.00998151	-0.0086	0.0011	13.6% ↑
13	p021	peak		broad_gauss_w	deg²	0.00126381	0.00124	0.00003	2.1% ↓
14	p021	peak		broad_lorentz_x	deg	0.1714	0.170	0.002	1.0% ↓
15	p021	instrument		calib_twotheta_offset	deg	-6.53×10⁻⁴	-6.4×10⁻⁴	0.7×10⁻⁴	1.7% ↑
16	p021	linked_structure	lam7o3	scale		3.60×10⁻⁶	3.665×10⁻⁶	0.006×10⁻⁶	1.8% ↑
17	p021	background	1	intensity		581.904	582	4	0.1% ↓
18	p021	background	2	intensity		686.484	687	3	0.1% ↑
19	p021	background	3	intensity		941.726	938	4	0.4% ↓
20	p021	background	4	intensity		994.306	996	5	0.1% ↑
21	p021	background	5	intensity		953.799	952	4	0.2% ↓
22	p021	background	6	intensity		697.773	690	3	1.2% ↓
23	p021	background	7	intensity		593.253	597	3	0.6% ↑
24	p021	background	8	intensity		525.521	519	3	1.2% ↓
25	p021	background	9	intensity		431.086	428.3	1.3	0.6% ↓
26	p021	background	10	intensity		414.272	408.1	1.2	1.5% ↓
27	p021	background	11	intensity		445.65	441.6	1.3	0.9% ↓
28	p021	background	12	intensity		434.449	431.9	1.6	0.6% ↓
29	p021	background	13	intensity		455.255	446	3	1.9% ↓
30	p021	background	14	intensity		422.493	421.2	1.8	0.3% ↓
31	p021	background	15	intensity		347.485	340.0	1.6	2.2% ↓
32	p021	background	16	intensity		340.402	340.3	1.9
33	p021	background	17	intensity		356.76	350.2	1.2	1.8% ↓
34	p021	background	18	intensity		308.164	307.5	1.1	0.2% ↓
35	p021	background	19	intensity		296.562	291.3	1.4	1.8% ↓
36	p021	background	20	intensity		261.813	261	3	0.4% ↓

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