An orthorhombic polymorph of lanthanum ultraphosphate LaP5O 14: Synthesis, structure and density functional study

Jiegou Huaxue

Volumn 30, Issue 5, 2011, Pages 648-653

  Zhu, Jing ^a   Chen, Hui ^a   Wang, Yu De ^a   Zhang, Shuo ^a   Cheng, Wen Dan ^b   Guan, Hong Tao ^a  

^a YUNNAN UNIVERSITY   (China)

^b FUJIAN INSTITUTE OF RESEARCH ON THE STRUCTURE OF MATTER   (China)

Author keywords

Energy band; Structure; Ultraphosphate

Indexed keywords

EID: 79958056968     PISSN: 02545861     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (13)

1. 14. Mat. Res. Bull. 1974, 9, 1525-1530.
2. Kobayashi, T.; Sawada, T.; Ikeo, H.; Muto, K.; Kai, J. Ferroelasticity in ReP5O14 (Re: La-Tb). J. Phys. Soc. Japan. 1976, 40, 595-596
3. Katrusiak, A.; Kaczmarek, F. Orthorhombic polymorph of ErP5O14, crystal structure and characterization. Cryst. Res. Technol. 1995, 30, 501-507.
4. 14 (R = La, Nd, Sm, Eu, Gd). J. Solid State Chem. 2000, 150, 377-382.
5. Averbuch-Pouchot, M. T.; Durif, A. Zeitschrift Für Kristallographie 1992, 201, 69.
6. Sheldrick, G. M. SHELXTL-97. Program for Refining Crystal Structure, University of Göttingen, Germany 1997.
7. Segall, M.; Linda, P.; Probert, M.; Pickard, C.; Hasnip, P.; Clark, S.; Payne, M. Materials Studio CASTEP Version 2.2 2002.
8. Segall, M.; Linda, P.; Probert, M.; Pickard, C.; Hasnip, P.; Clark, S.; Payne, M. First-principles simulation: Ideas, illustrations and the CASTEP code. J. Phys.: Condens. Mater. 2002, 14, 2717-2744. (Pubitemid 34288361)
9. Hamann, D. R.; Schluter, M.; Chiang, C. Norm-conserving pseudopotentials. Phys. Rev. Lett. 1979, 43, 1494-1497.
10. Macdonald, J. R.; Brachman, M. K. Linear-system integral transform relations. Rev. Mod. Phys. 1956, 28, 393-422.
11. 14. Acta Cryst. 2008, 64E, i74.
12. Durif, A. Bull Soc. Fr. Miner. Crist. 1971, 94, 314.
13. Dean, J. A. Ed. Lange's Handbook of Chemistry, 13th Edition, McGraw-Hill Book Company 1985.