SYNTHESIS AND CRYSTAL-STRUCTURE OF FLUOROCARBONATES BA2M (CO3)2F3 (M = Y, GD)

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MERCIER, N
LEBLANC, M
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O61 [无机化学];
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070301 ; 081704 ;
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Several fluorocarbonates of yttrium and rare-earth elements are grown by a modified hydrothermal method. A new structure type Ba2M(CO3)2F3 is evidenced with M = Y, Gd. Both phases are isotypic: orthorhombic, Pbcn, Z = 4; Ba2Y(CO3)2F3: a = 9.458(3) angstrom, b = 6.966(2) angstrom, c = 11.787(4) angstrom, V = 775.8(7) angstrom 3; (Ba2Gd(CO3)2F3: a = 9.513(1) angstrom, b = 6.978(1) angstrom, c = 11.864(4) angstrom, V = 787.5(5) angstrom 3); calculated density d = 4.628 (5.212); MoK-alpha, lambda = 0.71069 angstrom, mu = 175.5 cm-1 (183.0), F(000) = 952 (1052), R = 0.028, R(w) = 0.026 (0.025, 0.026), unique reflections: 823 (2002). The structure is built up from distorted BaO5F4 and Mo6F3 monocapped square antiprisms linked by triangular faces which form trimeric entities Ba2MO12F9. These blocks share edges and form infinite layers connected along the b axis. Carbonate ion shares the oxygen atoms with two MO6F3 polyhedra.
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页码:727 / 735
页数:9
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