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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

Title	Crystal Structure of Ca_1.29Bi_0.14VO₄
Author	Myung Seab Kim, Myoung Soo Lah, Ho Kun Kim
Keywords	Nonlinear optical crystal, Crystal structure, Unidirectional crystal growth.
Abstract	The structure of a single crystal, grown by a slow cooling a melt of Ca_1.29Bi_0.14VO₄ 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.
Page	98 - 102
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