Co₂SiO₄ [Pnma.1]

Fit result

Overall status	Success
time	0.053 s
iterations	6
stopped by	χ² change (4.21e-07)
last largest shift/s.u.	0.0131
reduced χ²	8.86
Rwp	5.59 %
Rwp, d20	5.59 %

Fitted parameters

#	datablock	category	entry	parameter	units	start	value	s.u.	change
1	cosio	cell		length_a	Å	10.3059	10.3059	4×10⁻⁴
2	cosio	cell		length_b	Å	6.0006	6.0006	2×10⁻⁴
3	cosio	cell		length_c	Å	4.7865	4.78644	1.5×10⁻⁴
4	cosio	atom_site	Co1	adp_iso	Å²	0.269	0.26	0.11	1.9%
5	cosio	atom_site	Co2	fract_x		0.28090	0.2787	7×10⁻⁴	0.8%
6	cosio	atom_site	Co2	fract_z		0.98360	0.982	0.003	0.1%
7	cosio	atom_site	Si	fract_x		0.09330	0.0937	6×10⁻⁴	0.5%
8	cosio	atom_site	Si	fract_z		0.42780	0.4282	0.0013	0.1%
9	cosio	atom_site	Si	adp_iso	Å²	0.466	0.64	0.10	37.7%
10	cosio	atom_site	O1	fract_x		0.08960	0.0905	5×10⁻⁴	1.0%
11	cosio	atom_site	O1	fract_z		0.77300	0.7723	0.0010	0.1%
12	cosio	atom_site	O1	adp_iso	Å²	0.778	0.80	0.09	2.8%
13	cosio	atom_site	O2	fract_x		0.44780	0.4482	4×10⁻⁴	0.1%
14	cosio	atom_site	O2	fract_z		0.21790	0.2165	0.0010	0.6%
15	cosio	atom_site	O2	adp_iso	Å²	0.642	0.68	0.09	5.9%
16	cosio	atom_site	O3	fract_x		0.16390	0.1636	4×10⁻⁴	0.2%
17	cosio	atom_site	O3	fract_y		0.03210	0.0319	5×10⁻⁴	0.6%
18	cosio	atom_site	O3	fract_z		0.28050	0.2797	8×10⁻⁴	0.3%
19	cosio	atom_site	O3	adp_iso	Å²	0.917	0.98	0.07	6.9%
20	cosio	atom_site_moment	Co1	crystalaxis_x	μB	0.8209	0.82	0.05	0.3%
21	cosio	atom_site_moment	Co1	crystalaxis_y	μB	2.6851	2.65	0.03	1.5%
22	cosio	atom_site_moment	Co1	crystalaxis_z	μB	0.0674	0.0496631594417369	0.7	26.3%
23	cosio	atom_site_moment	Co2	crystalaxis_y	μB	2.6512	2.64	0.05	0.5%
24	cosio	magnetic_form_factor	Co	j2_coefficient		0.7610	0.88	0.08	15.6%
25	d20	instrument		calib_twotheta_offset	deg	0.2765	0.276	0.003
26	d20	linked_structure	cosio	scale		1.7835	1.79	0.03	0.6%
27	d20	background	1	intensity		615.44	620	40
28	d20	background	2	intensity		590.6	590	20
29	d20	background	3	intensity		542.77	543	17
30	d20	background	4	intensity		612.59	612	9
31	d20	background	5	intensity		439.78	439	8	0.2%
32	d20	background	6	intensity		422.55	423	16
33	d20	background	7	intensity		418.86	419	11
34	d20	background	8	intensity		415.3	416	5	0.1%
35	d20	background	9	intensity		396.08	395	5	0.2%
36	d20	background	10	intensity		372.55	373	4	0.2%
37	d20	background	11	intensity		403.98	403	3	0.2%
38	d20	background	12	intensity		403.01	402	3	0.2%
39	d20	background	13	intensity		392.63	394	3	0.4%
40	d20	background	14	intensity		342.53	343	3
41	d20	background	15	intensity		277.53	278	3	0.1%
42	d20	background	16	intensity		224.18	227	4	1.0%

startthe value before the fit
valuethe fitted value, where the least-squares fit ends: the weighted sum of squared residuals is smallest
s.u.its standard uncertainty, the square root of its diagonal element of the fit's covariance matrix
changehow far the fit moved it, in % of the start: up, down