ZnCu₃(OD)₆Cl₂ [R-3m]

#	datablock	category	entry	parameter	units	start	value	s.u.	change
1	hs	cell		length_a	Å	6.86189	6.86132	0.00015
2	hs	cell		length_c	Å	14.1348	14.1356	0.0004
3	hs	atom_site	Zn	adp_iso	Å²	0.5	0.28	0.07	44.6% ↓
4	hs	atom_site	Cu	adp_iso	Å²	0.5	1.53	0.05	205.6% ↑
5	hs	atom_site	O	fract_x		0.206396	0.20643	0.00017
6	hs	atom_site	O	fract_z		0.0627477	0.06089	0.00014	3.0% ↓
7	hs	atom_site	O	adp_iso	Å²	0.5	1.10	0.05	119.3% ↑
8	hs	atom_site	Cl	fract_z		0.197616	0.19665	0.00012	0.5% ↓
9	hs	atom_site	Cl	adp_iso	Å²	0.5	1.40	0.05	179.9% ↑
10	hs	atom_site	H	fract_x		0.133642	0.13258	0.00016	0.8% ↓
11	hs	atom_site	H	fract_z		0.0870112	0.08967	0.00014	3.1% ↑
12	hs	atom_site	H	adp_iso	Å²	0.5	2.50	0.05	399.4% ↑
13	hrpt	peak		broad_gauss_u	deg²	0.489289	0.285	0.009	41.7% ↓
14	hrpt	peak		broad_gauss_v	deg²	-0.453026	-0.269	0.018	40.7% ↑
15	hrpt	peak		broad_gauss_w	deg²	0.353762	0.342	0.008	3.4% ↓
16	hrpt	peak		mixing_eta_0		0.432083	0.397	0.010	8.0% ↓
17	hrpt	instrument		calib_twotheta_offset	deg	0.112781	0.1100	0.0016	2.4% ↓
18	hrpt	linked_structure	hs	scale		0.407272	0.514	0.003	26.2% ↑
19	hrpt	background	1	intensity		538.958	537	4	0.4% ↓
20	hrpt	background	2	intensity		421.552	426	3	0.9% ↑
21	hrpt	background	3	intensity		495.222	467	3	5.6% ↓
22	hrpt	background	4	intensity		485.206	482	3	0.6% ↓
23	hrpt	background	5	intensity		506.693	504	3	0.6% ↓
24	hrpt	background	6	intensity		471.399	490	3	3.9% ↑
25	hrpt	background	7	intensity		442.819	502	3	13.5% ↑
26	hrpt	background	8	intensity		440.604	534	4	21.1% ↑
27	hrpt	background	9	intensity		440.805	498	4	12.9% ↑
28	hrpt	background	10	intensity		567.955	518	10	8.8% ↓