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XI RMS General Meeting and the Fedorov Session 2010
Saint Petersburg, Russia
10-13 October 2010
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Conferences & Meetings XI RMS General Meeting “Modern mineralogy: from theory to practice” combined with the Fedorov Session 2010
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Crystal-chemistry of earth alkaline hydrogen arsenates: crystal strcture and vibrational spectra of a new Ba(AsO3OH) polymorphic variety

RMS-DPI code:  2010-1-173-1
Scientific session:  F2. Mineralogical crystallography and crystal chemistry.
Author listing:  Djordjevic T., Karanović L.
Principal author:  Djordjevic Tamara
Language:  English
Abstract - Summary 
(short description):
New polymorphic variety of Ba(AsO3OH) has been obtained using hydrothermal method. Itrepresents one new structure type. Its crystal structure was determined from a racemic twin by single-crystal X-ray diffraction at 120 and 293 K [space group P21, a = 7.2149(14) / 7.2370(2), b = 7.7028(15) / 7.7133(2), c = 21.7385(43) / 21.8079 Å, b = 95.95(3) / 96.073(1)°, V = 1201.6(4) / 1210.51(5) ų, Z = 12]. The structure refinement of the data collected at 120 K did not reveal significant changes and did not indicate any phase transition. The crystal structure of Ba(AsO3OH) has a layered character and can be divided into four types of regularly alternating layers parallel to (001). Each layer shares common O atoms and OH groups with adjacent layers. All these layers host different kinds of BaO7(OH)2 and BaO8(OH)2 polyhedra and isolated, slightly distorted AsO3OH tetrahedra. These tetrahedra are linked through three O atoms and one OH group to four Ba atoms in the same layer i.e. AsO3OH tetrahedra are chelating to two Ba atoms and bridged by another two Ba atoms. The OH group acts as hydrogen bond donor toward the oxygen atoms positioned in the same or adjacent layers. In all layers neighboring BaO7(OH)2 and BaO8(OH)2 polyhedra form zigzag chains along b-axis sharing edges or trigonal faces. These polyhedra are additionally connected by hydrogen bonds involving all hydroxyl groups. Raman and infrared spectra were acquired to obtain further information on both anion groups and especially on the very short hydrogen bond distances, where the donor and acceptor atoms are not equal due to (average) space-group symmetry.
Date of presentation:  13/10/2010
Time of presentation:  16:00
Presentation Place:  Mining University, Hall 1166
RMS-DPI code:  2010-1-173-1
Proceeedings volume 
in the RMS catalogue:
Modern mineralogy: from theory to practice
Pages:  88-89
File of proceedings 
 271 K
Status:  printed
Recieved:  20/05/2010
Accepted:  14/07/2010
Published on-line:  21/11/2010
Permanent address of publication:  http://www.minsoc.ru/2010-1-173-1/
Contact author(s):  Djordjevic, Tamara

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