LATP [R-3c] / AlPO₄ [C222₁] / AlPO₄ [P6₃mc]

Fit result

Overall status	Success
time	0.37 s
iterations	5
reduced χ²	142228616.00
Rwp	4.51 %
Rwp, bm01	4.51 %

Fitted parameters

#	datablock	category	entry	parameter	units	start	value	s.u.	change
1	alpo4_c2221	cell		length_a	Å	6.9677	6.97	0.03
2	alpo4_c2221	cell		length_b	Å	7.11077	7.11	0.03
3	alpo4_c2221	cell		length_c	Å	7.00276	7.003	0.019
4	alpo4_p63mc	cell		length_a	Å	4.98277	4.983	0.007
5	alpo4_p63mc	cell		length_c	Å	9.50424	9.504	0.019
6	latp	cell		length_a	Å	8.49517	8.4952	0.0003
7	latp	cell		length_c	Å	20.8267	20.8267	0.0009
8	latp	atom_site	Ti1	fract_z		0.141851	0.14185	0.00009
9	latp	atom_site	Ti1	adp_iso	Å²	0.33	0.33	0.02	1.4% ↑
10	latp	atom_site	P1	fract_x		0.28771	0.2877	0.0003
11	latp	atom_site	P1	adp_iso	Å²	0.23	0.23	0.03	1.5% ↑
12	latp	atom_site	O1	fract_x		0.181789	0.1818	0.0007
13	latp	atom_site	O1	fract_y		0.991123	0.9911	0.0007
14	latp	atom_site	O1	fract_z		0.188846	0.1889	0.0003
15	latp	atom_site	O1	adp_iso	Å²	0.94	0.95	0.07	1.0% ↑
16	latp	atom_site	O2	fract_x		0.187867	0.1879	0.0005
17	latp	atom_site	O2	fract_y		0.162724	0.1627	0.0005
18	latp	atom_site	O2	fract_z		0.0817119	0.0817	0.0003
19	latp	atom_site	O2	adp_iso	Å²	0.54	0.55	0.06	2.2% ↑
20	bm01	peak		broad_gauss_u	deg²	0.0194587	0.019	0.009	3.8% ↓
21	bm01	peak		broad_gauss_v	deg²	0.019061	0.019	0.006	0.3% ↑
22	bm01	peak		broad_gauss_w	deg²	0.0157914	0.0158	0.0009	0.3% ↑
23	bm01	peak		mixing_eta_0		0.372728	0.372	0.016	0.2% ↓
24	bm01	peak		asym_beba_a0		0.0899411	0.090	0.005
25	bm01	peak		asym_beba_b0		0.00440837	0.0044	0.0011	0.7% ↓
26	bm01	instrument		calib_twotheta_offset	deg	-0.0393215	-0.0394	0.0014	0.2% ↓
27	bm01	linked_structure	latp	scale		4.14603	4.15	0.04	0.1% ↑
28	bm01	linked_structure	alpo4_c2221	scale		0.532562	0.53	0.12	0.4% ↑
29	bm01	linked_structure	alpo4_p63mc	scale		1.6095	1.6	0.5	0.1% ↑
30	bm01	background	4	intensity		3.70×10⁷	3.7000000×10⁷	0.3000000×10⁷
31	bm01	background	5	intensity		4.17×10⁷	4.1700000×10⁷	0.1100000×10⁷
32	bm01	background	7	intensity		5.28×10⁷	5.2800000×10⁷	0.1100000×10⁷
33	bm01	background	8	intensity		6.71×10⁷	6.7100000×10⁷	0.1400000×10⁷
34	bm01	background	9	intensity		8.27×10⁷	8.2700000×10⁷	0.1500000×10⁷
35	bm01	background	10	intensity		7.98×10⁷	7.9800000×10⁷	0.1100000×10⁷
36	bm01	background	12	intensity		4.82×10⁷	4.8200000×10⁷	0.0700000×10⁷
37	bm01	background	14	intensity		3.71×10⁷	3.7100000×10⁷	0.0700000×10⁷	0.1% ↓
38	bm01	background	16	intensity		3.07×10⁷	3.0600000×10⁷	0.0600000×10⁷
39	bm01	background	18	intensity		2.61×10⁷	2.6100000×10⁷	0.0400000×10⁷
40	bm01	background	20	intensity		2.43×10⁷	2.4300000×10⁷	0.0400000×10⁷
41	bm01	background	23	intensity		2.28×10⁷	2.2800000×10⁷	0.0400000×10⁷
42	bm01	background	25	intensity		2.28×10⁷	2.2800000×10⁷	0.0400000×10⁷
43	bm01	background	27	intensity		2.51×10⁷	2.5100000×10⁷	0.0400000×10⁷
44	bm01	background	30	intensity		2.44×10⁷	2.4400000×10⁷	0.0300000×10⁷
45	bm01	background	33	intensity		2.59×10⁷	2.5900000×10⁷	0.0300000×10⁷
46	bm01	background	36	intensity		1.93×10⁷	1.9300000×10⁷	0.0180000×10⁷
47	bm01	background	38	intensity		1.60×10⁷	1.5950000×10⁷	0.0160000×10⁷
48	bm01	background	40	intensity		1.66×10⁷	1.6570000×10⁷	0.0160000×10⁷	0.1% ↑
49	bm01	background	43	intensity		1.89×10⁷	1.8860000×10⁷	0.0150000×10⁷
50	bm01	background	45	intensity		1.81×10⁷	1.8080000×10⁷	0.0150000×10⁷
51	bm01	background	47	intensity		1.79×10⁷	1.7900000×10⁷	0.0130000×10⁷
52	bm01	background	49	intensity		1.95×10⁷	1.9490000×10⁷	0.0150000×10⁷	0.1% ↑
53	bm01	background	51	intensity		2.04×10⁷	2.0370000×10⁷	0.0130000×10⁷
54	bm01	background	53	intensity		2.19×10⁷	2.1930000×10⁷	0.0130000×10⁷	0.1% ↑
55	bm01	background	55	intensity		2.24×10⁷	2.2390000×10⁷	0.0120000×10⁷	0.1% ↑
56	bm01	background	57	intensity		2.18×10⁷	2.1840000×10⁷	0.0100000×10⁷
57	bm01	background	59	intensity		2.38×10⁷	2.3850000×10⁷	0.0090000×10⁷	0.1% ↑
58	bm01	background	61	intensity		1.90×10⁷	1.8970000×10⁷	0.0110000×10⁷	0.1% ↑
59	bm01	background	62	intensity		1.55×10⁷	1.5500000×10⁷	0.0300000×10⁷

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