YAlO₃ [Pbnm] / Al₂O₃ [R-3c]

Fit result

Overall status	Success
time	0.28 s
iterations	15
reduced χ²	24.69
Rwp	6.46 %
Rwp, spodi	6.46 %

Fitted parameters

#	datablock	category	entry	parameter	units	start	value	s.u.	change
1	Al2O3	cell		length_a	Å	4.7562	4.7564	0.0006
2	Al2O3	cell		length_c	Å	12.9841	12.981	0.003
3	Al2O3	atom_site	Al1	fract_z		0.33	0.334	0.006	1.3% ↑
4	Al2O3	atom_site	O1	fract_x		0.35	0.356	0.005	1.8% ↑
5	YAlO3	cell		length_a	Å	5.17308	5.17290	0.00015
6	YAlO3	cell		length_b	Å	5.32729	5.32719	0.00015
7	YAlO3	cell		length_c	Å	7.36155	7.3615	0.0003
8	YAlO3	atom_site	Y	fract_x		0.01	0.01211	0.00019	21.1% ↑
9	YAlO3	atom_site	Y	fract_y		0.55	0.55405	0.00014	0.7% ↑
10	YAlO3	atom_site	O1	fract_x		-0.08	-0.0840	0.0003	4.9% ↓
11	YAlO3	atom_site	O1	fract_y		-0.02	-0.0219	0.0003	9.4% ↓
12	YAlO3	atom_site	O2	fract_x		0.2	0.20451	0.00016	2.3% ↑
13	YAlO3	atom_site	O2	fract_y		0.29	0.29518	0.00015	1.8% ↑
14	YAlO3	atom_site	O2	fract_z		0.04	0.04448	0.00011	11.2% ↑
15	spodi	peak		broad_gauss_u	deg²	0.0321466	0.0296	0.0015	8.1% ↓
16	spodi	peak		broad_gauss_v	deg²	-0.0461916	-0.045	0.003	3.2% ↑
17	spodi	peak		broad_gauss_w	deg²	0.11118	0.1120	0.0015	0.7% ↑
18	spodi	peak		mixing_eta_0		0.126616	0.106	0.008	16.1% ↓
19	spodi	peak		asym_beba_a0		-0.242497	-0.28	0.04	14.6% ↓
20	spodi	peak		asym_beba_b0		-0.012667	-0.017	0.005	36.6% ↓
21	spodi	peak		asym_beba_a1		0.0371352	0.18	0.08	385.4% ↑
22	spodi	peak		asym_beba_b1		-0.0434093	-0.023	0.010	47.0% ↑
23	spodi	instrument		calib_twotheta_offset	deg	0.0123009	0.011	0.003	12.6% ↓
24	spodi	linked_structure	YAlO3	scale		31.5263	31.72	0.09	0.6% ↑
25	spodi	linked_structure	Al2O3	scale		0.198525	0.210	0.012	6.0% ↑
26	spodi	background	1	intensity		1.33×10³	1.330×10³	0.090×10³
27	spodi	background	2	intensity		1.82×10³	1.820×10³	0.060×10³
28	spodi	background	3	intensity		2.43×10³	2.430×10³	0.040×10³
29	spodi	background	4	intensity		2.11×10³	2.110×10³	0.030×10³	0.1% ↑
30	spodi	background	5	intensity		2.03×10³	2.030×10³	0.030×10³	0.3% ↓
31	spodi	background	6	intensity		2.10×10³	2.070×10³	0.030×10³	1.4% ↓
32	spodi	background	7	intensity		2.09×10³	2.090×10³	0.030×10³	0.1% ↑
33	spodi	background	8	intensity		2.02×10³	2.020×10³	0.040×10³	0.2% ↓
34	spodi	background	9	intensity		1.76×10³	1.820×10³	0.040×10³	3.3% ↑
35	spodi	background	10	intensity		2.06×10³	1.950×10³	0.040×10³	5.4% ↓
36	spodi	background	11	intensity		2.05×10³	1.990×10³	0.030×10³	2.7% ↓
37	spodi	background	12	intensity		1.87×10³	1.960×10³	0.030×10³	5.2% ↑
38	spodi	background	13	intensity		2.21×10³	2.140×10³	0.030×10³	3.3% ↓
39	spodi	background	14	intensity		2.00×10³	2.260×10³	0.040×10³	13.0% ↑
40	spodi	background	15	intensity		2.40×10³	2.320×10³	0.040×10³	3.3% ↓
41	spodi	background	16	intensity		2.00×10³	2.230×10³	0.050×10³	11.8% ↑
42	spodi	background	17	intensity		2.07×10³	2.040×10³	0.040×10³	1.5% ↓
43	spodi	background	18	intensity		2.16×10³	2.060×10³	0.040×10³	4.5% ↓
44	spodi	background	19	intensity		2.14×10³	2.190×10³	0.040×10³	2.3% ↑
45	spodi	background	20	intensity		3.03×10³	2.910×10³	0.050×10³	4.2% ↓
46	spodi	background	21	intensity		2.41×10³	2.520×10³	0.040×10³	4.3% ↑
47	spodi	background	22	intensity		2.81×10³	3.030×10³	0.040×10³	7.8% ↑
48	spodi	background	23	intensity		2.64×10³	2.830×10³	0.050×10³	6.9% ↑
49	spodi	background	24	intensity		3.03×10³	3.270×10³	0.060×10³	7.9% ↑
50	spodi	background	25	intensity		2.84×10³	3.240×10³	0.080×10³	14.4% ↑

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