Crystallography Open Database

Information card for entry 9016148

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Structure parameters

Mineral name	Rakovanite
Formula	H30 Na3 O43 V10
Calculated formula	H30 Na3 O43 V10
SMILES	O1[V]234(=O)[O]5678[V]9%10(=O)([O]%11[V]%12%13%14(O[V]%15%16%17(O[V]%1818([O]18%13%15[V]%13(O%12)(=O)(O%16)O[V]%121(=O)(O%17)[O]1[V]6(=O)([O]%18%12)(O2)O[V]5(=O)(O[V]7%1181O%13)(O3)O%10)[O]9%14)=O)=O)O4.O.O.O.[OH2][Na]1([OH2])([OH2])([OH2])[OH2][Na]([OH2]1)([OH2])([OH2])([OH2])[OH2].[OH2][Na][OH2]
Title of publication	Novel self-assembled decavanadate clusters forming 1D molecular chains and 2D molecular arrays: [HMTA-H...H2O][HMTA-CH2OH][H3V10O28{Na(H2O)4}]4H2O and [Na2(H2O)10] [H3V10O28 {Na(H2O)2}]3H2O
Authors of publication	Duraisamy, T.; Ramanan, A.; Vittal, J. J.
Journal of publication	Crystal Engineering
Year of publication	2000
Journal volume	3
Pages of publication	237 - 250
a	12.0627 Å
b	17.1745 Å
c	18.2094 Å
α	90°
β	106.34°
γ	90°
Cell volume	3620.08 Å³
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
292100 (current)	2024-05-29	Inserting Z values into entries of range 9 that miss it	9016148.cif
201816	2017-10-06	cod/ Enhancement: marking COD entries that are known to be related to the AMCSD entries using the _cod_related_entry data loop.	9016148.cif
176465	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 9.	9016148.cif
120115	2014-07-12	Adding DOIs to range 9 structures.	9016148.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9016148.cif