PbSO₄ [Pnma] · Laboratory X-ray

#	datablock	category	entry	parameter	units	start	value	s.u.	change
1	pbso4	cell		length_a	Å	8.4807	8.48066	0.00013
2	pbso4	cell		length_b	Å	5.39888	5.39887	0.00009
3	pbso4	cell		length_c	Å	6.96043	6.96038	0.00011
4	pbso4	atom_site	Pb	fract_x		0.18775	0.18785	0.00010	0.1% ↑
5	pbso4	atom_site	Pb	fract_z		0.167792	0.16791	0.00013	0.1% ↑
6	pbso4	atom_site	S	fract_x		0.0652779	0.0639	0.0006	2.1% ↓
7	pbso4	atom_site	S	fract_z		0.686684	0.6866	0.0008
8	pbso4	atom_site	O1	fract_x		0.91	0.9062	0.0014	0.4% ↓
9	pbso4	atom_site	O1	fract_z		0.6	0.5928	0.0016	1.2% ↓
10	pbso4	atom_site	O2	fract_x		0.19	0.1821	0.0016	4.1% ↓
11	pbso4	atom_site	O2	fract_z		0.54	0.5530	0.0018	2.4% ↑
12	pbso4	atom_site	O3	fract_x		0.08	0.0779	0.0010	2.6% ↓
13	pbso4	atom_site	O3	fract_y		0.03	0.0240	0.0014	20.1% ↓
14	pbso4	atom_site	O3	fract_z		0.81	0.8141	0.0014	0.5% ↑
15	lab	peak		broad_gauss_u	deg²	0.0565516	0.0560	0.0019	0.9% ↓
16	lab	peak		broad_gauss_v	deg²	-0.0317454	-0.0313	0.0018	1.4% ↑
17	lab	peak		broad_gauss_w	deg²	0.0129275	0.0129	0.0005	0.4% ↓
18	lab	peak		mixing_eta_0		0.828587	0.828	0.010
19	lab	peak		asym_beba_a0		-0.205596	-0.202	0.009	1.8% ↑
20	lab	peak		asym_beba_b0		-0.0327856	-0.0323	0.0013	1.4% ↑
21	lab	instrument		calib_twotheta_offset	deg	-0.0324088	-0.0327	0.0011	0.9% ↓
22	lab	linked_structure	pbso4	scale		8.58×10⁻⁴	8.60×10⁻⁴	0.03×10⁻⁴	0.3% ↑
23	lab	background	1	coef		113.256	112.5	0.8	0.7% ↓
24	lab	background	2	coef		35.8825	35.5	1.1	1.1% ↓
25	lab	background	3	coef		16.9918	17.0	1.0	0.1% ↓
26	lab	background	4	coef		14.6165	14.0	1.0	3.9% ↓
27	lab	background	5	coef		-5.40746	-5.4	0.9	0.4% ↓
28	lab	background	6	coef		-5.2738	-5.4	0.8	1.8% ↓