CeCoAl₃ [Pmma] · POLARIS @ ISIS

Fit result

Overall status	Success
time	0.68 s
iterations	5
reduced χ²	2.86
Rwp	2.08 %
Rwp, polaris	2.08 %

Fitted parameters

#	datablock	category	entry	parameter	units	start	value	s.u.	change
1	cecoal	cell		length_a	Å	7.6514	7.6514	0.0007
2	cecoal	cell		length_b	Å	4.05156	4.0515	0.0004
3	cecoal	cell		length_c	Å	6.9057	6.9057	0.0006
4	cecoal	atom_site	Ce	fract_z		0.382353	0.38228	0.00017
5	cecoal	atom_site	Ce	adp_iso	Å²	0.440086	0.510	0.019	15.8% ↑
6	cecoal	atom_site	Co	fract_z		0.815323	0.8155	0.0004
7	cecoal	atom_site	Co	adp_iso	Å²	0.334015	0.39	0.03	16.4% ↑
8	cecoal	atom_site	Al1	adp_iso	Å²	0.605138	0.68	0.03	11.8% ↑
9	cecoal	atom_site	Al2	fract_z		0.0432167	0.0432	0.0003	0.1% ↓
10	cecoal	atom_site	Al2	adp_iso	Å²	0.563856	0.64	0.03	13.1% ↑
11	cecoal	atom_site	Al3	fract_x		0.069577	0.06962	0.00014	0.1% ↑
12	cecoal	atom_site	Al3	fract_z		0.701675	0.70173	0.00017
13	cecoal	atom_site	Al3	adp_iso	Å²	0.469156	0.536	0.018	14.2% ↑
14	polaris	peak		broad_gauss_sigma_1	µs²/Å²	45.3695	46	3	1.4% ↑
15	polaris	peak		broad_lorentz_gamma_1	µs/Å	4.3977	4.3	0.4	1.7% ↓
16	polaris	instrument		calib_d_to_tof_offset	µs	3.56527	3.6	0.4	0.3% ↑
17	polaris	instrument		calib_d_to_tof_quadratic	µs/Å²	-2.03891	-2.03	0.19	0.3% ↑
18	polaris	linked_structure	cecoal	scale		1.54×10⁴	1.7000×10⁴	0.0300×10⁴	11.0% ↑
19	polaris	absorption		abscor1	Å⁻¹	0	0.018	0.003
20	polaris	background	1	coef		2.67×10⁴	2.6770×10⁴	0.0150×10⁴	0.3% ↑
21	polaris	background	2	coef		4.54×10³	4.600×10³	0.300×10³	0.9% ↑
22	polaris	background	3	coef		2.88×10³	2.900×10³	0.300×10³	1.2% ↑
23	polaris	background	4	coef		-55.4842	-200	300	279.3% ↓
24	polaris	background	5	coef		581.506	600	300	0.7% ↑
25	polaris	background	6	coef		390.686	400	300	6.9% ↑
26	polaris	background	7	coef		394.922	500	300	15.5% ↑
27	polaris	background	8	coef		184.101	300	200	36.2% ↑
28	polaris	background	9	coef		354.404	390	180	10.4% ↑
29	polaris	background	10	coef		645.062	670	150	3.3% ↑
30	polaris	background	11	coef		526.066	530	100	0.6% ↑
31	polaris	background	12	coef		159.365	160	50	1.1% ↑

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