Co₂SiO₄ [Pnma.1]

Fit result

Overall status	Success
time	0.19 s
iterations	22
reduced χ²	6.24
Rwp	4.69 %
Rwp, d20	4.69 %

Fitted parameters

#	datablock	category	entry	parameter	units	start	value	s.u.	change
1	cosio	cell		length_a	Å	10.3144	10.3149	0.0003
2	cosio	cell		length_b	Å	6.00596	6.00600	0.00017
3	cosio	cell		length_c	Å	4.79048	4.79073	0.00013
4	cosio	atom_site	Co1	adp_iso	Å²	0.879037	0.35	0.09	60.0% ↓
5	cosio	atom_site	Co2	fract_x		0.279643	0.2774	0.0006	0.8% ↓
6	cosio	atom_site	Co2	fract_z		0.976445	0.9825	0.0018	0.6% ↑
7	cosio	atom_site	Si	fract_x		0.0918714	0.0944	0.0005	2.8% ↑
8	cosio	atom_site	Si	fract_z		0.425495	0.4287	0.0011	0.8% ↑
9	cosio	atom_site	Si	adp_iso	Å²	1.23849	0.57	0.08	53.9% ↓
10	cosio	atom_site	O1	fract_x		0.088416	0.0904	0.0004	2.3% ↑
11	cosio	atom_site	O1	fract_z		0.777957	0.7715	0.0008	0.8% ↓
12	cosio	atom_site	O1	adp_iso	Å²	1.53073	0.80	0.07	47.5% ↓
13	cosio	atom_site	O2	fract_x		0.448712	0.4483	0.0004	0.1% ↓
14	cosio	atom_site	O2	fract_z		0.219066	0.2151	0.0009	1.8% ↓
15	cosio	atom_site	O2	adp_iso	Å²	1.17467	0.67	0.08	42.5% ↓
16	cosio	atom_site	O3	fract_x		0.162547	0.1634	0.0003	0.5% ↑
17	cosio	atom_site	O3	fract_y		0.0321561	0.0319	0.0004	0.9% ↓
18	cosio	atom_site	O3	fract_z		0.279662	0.2794	0.0007	0.1% ↓
19	cosio	atom_site	O3	adp_iso	Å²	1.60852	1.01	0.06	37.0% ↓
20	cosio	atom_site_moment	Co1	crystalaxis_x	μB	0	1.01	0.04
21	cosio	atom_site_moment	Co1	crystalaxis_y	μB	1	3.01	0.03	201.0% ↑
22	cosio	atom_site_moment	Co1	crystalaxis_z	μB	0	0.03	0.8
23	cosio	atom_site_moment	Co2	crystalaxis_y	μB	1	2.60	0.04	159.6% ↑
24	d20	peak		broad_gauss_u	deg²	0.177586	0.200	0.007	12.4% ↑
25	d20	peak		broad_gauss_v	deg²	-0.361818	-0.403	0.014	11.5% ↓
26	d20	peak		broad_gauss_w	deg²	0.291477	0.308	0.007	5.6% ↑
27	d20	instrument		calib_twotheta_offset	deg	0.383296	0.3875	0.0019	1.1% ↑
28	d20	linked_structure	cosio	scale		2.24268	1.781	0.019	20.6% ↓
29	d20	background	1	intensity		614.29	620	30	0.9% ↑
30	d20	background	2	intensity		592.44	584	17	1.4% ↓
31	d20	background	3	intensity		536.877	566	15	5.4% ↑
32	d20	background	4	intensity		633.856	532	7	16.0% ↓
33	d20	background	5	intensity		529.681	426	7	19.6% ↓
34	d20	background	6	intensity		404.382	425	14	5.2% ↑
35	d20	background	7	intensity		418.778	420	9	0.4% ↑
36	d20	background	8	intensity		422.279	411	4	2.7% ↓
37	d20	background	9	intensity		449.271	383	4	14.9% ↓
38	d20	background	10	intensity		372.998	371	3	0.6% ↓
39	d20	background	11	intensity		413.688	405	3	2.0% ↓
40	d20	background	12	intensity		411.531	404	3	1.9% ↓
41	d20	background	13	intensity		400.265	397	3	0.8% ↓
42	d20	background	14	intensity		350.906	344	3	2.1% ↓
43	d20	background	15	intensity		286.809	279	3	2.6% ↓
44	d20	background	16	intensity		250.85	235	4	6.3% ↓

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