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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 23, Number 1
BKCSDE 23(1)
January 20, 2002 

Crystal Structure of Ca1.29Bi0.14VO4
Myung Seab Kim, Myoung Soo Lah, Ho Kun Kim
Nonlinear optical crystal, Crystal structure, Unidirectional crystal growth.
The structure of a single crystal, grown by a slow cooling a melt of Ca1.29Bi0.14VO4 composition, was analyzed. The crystals belong to the rhombohedral space group R3c and the dimensions of the unit cells are a = 10.848(1) Å, c = 38.048(6) Å, V = 3877.6(8) Å3 for the pale yellow crystal, and a = 10.857(1) Å, c = 38.063(6) Å, V = 3885.6(8) Å3 for the yellow crystal, respectively. Unit cell dimensions of the crystal were larger than those of the host crystal, Ca3(VO4)2, owing to the Bi that replaced Ca in the unit cell. Ca in the unit cell formed six, eight and nine coordinated polyhedra with O atoms and Bi replacing Ca entered the eight or nine coordinated Ca sites with different crystallographic environments in the unit cell. All the V in the unit cell formed four coordinated tetrahedra with O atoms, however V-O bond lengths in the tetrahedra were different from one another.
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