Co₂SiO₄ [Pnma.1]

Fit result

Overall status	Success
time	0.034 s
iterations	3
reduced χ²	47.83
Rwp	13.00 %
Rwp, d20	13.00 %

Fitted parameters

#	datablock	category	entry	parameter	units	start	value	s.u.	change
1	cosio	cell		length_a	Å	10.3143	10.3144	0.0008
2	cosio	cell		length_b	Å	6.00592	6.0060	0.0005
3	cosio	cell		length_c	Å	4.79048	4.7905	0.0004
4	cosio	atom_site	Co1	adp_iso	Å²	0.269	0.9	0.3	226.8% ↑
5	cosio	atom_site	Co2	fract_x		0.278726	0.280	0.003	0.3% ↑
6	cosio	atom_site	Co2	fract_z		0.977452	0.976	0.005	0.1% ↓
7	cosio	atom_site	Si	fract_x		0.0925482	0.0919	0.0013	0.7% ↓
8	cosio	atom_site	Si	fract_z		0.428261	0.425	0.003	0.6% ↓
9	cosio	atom_site	Si	adp_iso	Å²	0.466	1.2	0.3	165.8% ↑
10	cosio	atom_site	O1	fract_x		0.0880432	0.0884	0.0010	0.4% ↑
11	cosio	atom_site	O1	fract_z		0.776967	0.778	0.003	0.1% ↑
12	cosio	atom_site	O1	adp_iso	Å²	0.778	1.53	0.19	96.8% ↑
13	cosio	atom_site	O2	fract_x		0.448067	0.4487	0.0008	0.1% ↑
14	cosio	atom_site	O2	fract_z		0.217982	0.219	0.003	0.5% ↑
15	cosio	atom_site	O2	adp_iso	Å²	0.642	1.17	0.19	83.0% ↑
16	cosio	atom_site	O3	fract_x		0.162773	0.1625	0.0007	0.1% ↓
17	cosio	atom_site	O3	fract_y		0.0317582	0.0322	0.0011	1.3% ↑
18	cosio	atom_site	O3	fract_z		0.280738	0.2797	0.0016	0.4% ↓
19	cosio	atom_site	O3	adp_iso	Å²	0.917	1.61	0.16	75.4% ↑
20	d20	peak		broad_gauss_u	deg²	0.187369	0.178	0.019	5.2% ↓
21	d20	peak		broad_gauss_v	deg²	-0.342292	-0.36	0.05	5.7% ↓
22	d20	peak		broad_gauss_w	deg²	0.268168	0.29	0.03	8.7% ↑
23	d20	instrument		calib_twotheta_offset	deg	0.38191	0.383	0.006	0.4% ↑
24	d20	linked_structure	cosio	scale		1.93668	2.24	0.06	15.8% ↑
25	d20	background	1	intensity		614.195	610	80
26	d20	background	2	intensity		592.591	590	50
27	d20	background	3	intensity		536.359	540	40	0.1% ↑
28	d20	background	4	intensity		635.669	634	19	0.3% ↓
29	d20	background	5	intensity		531.644	530	18	0.4% ↓
30	d20	background	6	intensity		403.898	400	40	0.1% ↑
31	d20	background	7	intensity		419.081	420	30	0.1% ↓
32	d20	background	8	intensity		421.642	422	11	0.2% ↑
33	d20	background	9	intensity		455.363	449	11	1.3% ↓
34	d20	background	10	intensity		379.358	373	8	1.7% ↓
35	d20	background	11	intensity		422.31	414	7	2.0% ↓
36	d20	background	12	intensity		413.142	412	7	0.4% ↓
37	d20	background	13	intensity		395.168	400	7	1.3% ↑
38	d20	background	14	intensity		339.654	351	7	3.3% ↑
39	d20	background	15	intensity		275.742	287	6	4.0% ↑
40	d20	background	16	intensity		229.336	251	9	9.4% ↑

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