Crystallography Open Database

Information card for entry 2106556

Preview

Coordinates	2106556.cif

Structure parameters

Chemical name	Hf18 O10 (O H)26 (S O4)13 (H2 O)33
Formula	H92 Hf18 O121 S13
Calculated formula	Hf18 O121 S13
SMILES	[Hf]123456([OH2])[O]78[Hf]9%10%11%12%13[OH]4[Hf]4%14%15%16%17%18[OH]%19[Hf]%20%21%22%23%24(OS(=[O]4)(=O)O9)[O]%12%14[Hf]49%12%14%25([O]=S(=O)(O%10)O%20)[OH]%18[Hf]%10%18%20([OH]2%15)(OS(=O)(=O)O%18)(OS(=O)(O%20)=O)[OH]1[Hf]127([OH]%114)([OH]9%10)([OH2])[OH]4[Hf]789%10(OS(=O)(=O)O%13)[OH]8[Hf]%11%15%18([OH]69)([OH2])(OS(=O)(=O)O%10)[OH][Hf]6984([OH2])(OS(=O)(=O)O7)[OH][Hf]4([OH]1)([OH]26)([OH2])(OS(=O)(=O)O9)[OH][Hf]1([OH2])([OH]4)([OH2])([OH2])[OH][Hf]24([OH2])([OH]%12)([OH2])([OH]1)[OH]%14[Hf]1(OS(=O)(=O)O%21)([OH]%22%25)([OH2])(OS(=O)(O2)=O)([OH]4)[OH]%23[Hf]24%19([OH]1)(OS(=O)(=O)O%24)([OH2])[OH]%16[Hf]1([OH2])([OH]%17)([OH]2)(OS(=O)(=O)O4)([OH2])[OH][Hf]2([OH2])([OH2])([OH]1)([OH2])[OH][Hf]([OH]5)([OH]%15)([OH]2)([OH]3%11)([OH2])OS(=O)(=O)[OH]%18.S(=O)(=O)([O-])[O-].O.O.O.O.O.O.O.O.O.O.O.O.O
Title of publication	The crystal structure of Hf18 O10 (O H)26 (S O4)13 (H2 O)33
Authors of publication	Mark, W.; Hansson, M.
Journal of publication	Acta Crystallographica B (24,1968-38,1982)
Year of publication	1975
Journal volume	31
Pages of publication	1101 - 1108
a	34.09 Å
b	34.09 Å
c	17.664 Å
α	90°
β	90°
γ	120°
Cell volume	17777.6 Å³
Number of distinct elements	4
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
151323 (current)	2015-07-14	cif/ Adding structures of 2106556 via cif-deposit CGI script.	2106556.cif