Single-crystal analysis of mixed (Ln/TbPO sub 4 ) orthophosphates

Journal Article · Sat Aug 01 04:00:00 EDT 1992 · Journal of Solid State Chemistry; (United States)

DOI:https://doi.org/10.1016/0022-4596(92)90319-Q· OSTI ID:7038416

Mullica, D F; Sappenfield, E L ^[1]; Boatner, L A ^[2]

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1. Baylor Univ., Waco, TX (United States)
2. Oak Ridge National Lab., TN (United States)

Structural investigations of the mixed lanthanide orthophosphates have been carried out by means of three-dimensional single-crystal X-ray diffractometry. Each mixed orthophosphate compound crystallized in the tetragonal space group I4{sub 1}/amd (D{sub 4h}{sup 19}, No. 141) (Z = 4) with lattice constants of a = 6.9449(9), 6.9647(7), 6.8003(8) and c = 6.0680(18), 6.0900(6), 5.9638(6) for 1:1 (Gd/Tb)PO{sub 4}, 3:1 (Gd/Tb)PO{sub 4}, and 9:1 (Lu/Tb)PO{sub 4}, respectively. The final least-squares full-matrix refinements, based on 313, 310, and 283 unique reflections, yielded R-values equal to 0.023, 0.017, and 0.030, respectively. The lanthanide ions are eight-coordinated to oxygen atoms, and the resulting polyhedra are best described as two orthogonal interpenetrating tetrahedra, bis-bisphenoidal (D{sub 2d}) geometry. Important bond distances and angles, crystal data and parameters, as well as optical and X-ray fluorescnece analyses are presented.

• DOE Contract Number: AC05-84OR21400
• OSTI ID: 7038416
• Journal Information: Journal of Solid State Chemistry; (United States), Journal Name: Journal of Solid State Chemistry; (United States) Vol. 99:2; ISSN 0022-4596; ISSN JSSCB
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360602* -- Other Materials-- Structure & Phase Studies
CHEMICAL ANALYSIS
COHERENT SCATTERING
CRYSTAL LATTICES
CRYSTAL STRUCTURE
DATA
DIFFRACTION
EXPERIMENTAL DATA
GADOLINIUM COMPOUNDS
GADOLINIUM PHOSPHATES
INFORMATION
LATTICE PARAMETERS
LUTETIUM COMPOUNDS
LUTETIUM PHOSPHATES
NONDESTRUCTIVE ANALYSIS
NUMERICAL DATA
OXYGEN COMPOUNDS
PHOSPHATES
PHOSPHORUS COMPOUNDS
RARE EARTH COMPOUNDS
SCATTERING
TERBIUM PHOSPHATES
TETRAGONAL LATTICES
X-RAY DIFFRACTION
X-RAY EMISSION ANALYSIS
X-RAY FLUORESCENCE ANALYSIS