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首页> 外文期刊>International Journal of Quantum Chemistry >The Synthesis and Crystal Structures of Two New Hydrated Sodium Monofluorophosphates: NaHPO_3F.2.5 H_2O(I) and Na_2PO_3F.10 H_2O(II)
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The Synthesis and Crystal Structures of Two New Hydrated Sodium Monofluorophosphates: NaHPO_3F.2.5 H_2O(I) and Na_2PO_3F.10 H_2O(II)

机译:两种新型水合单氟磷酸钠的合成与晶体结构:NaHPO_3F.2.5 H_2O(I)和Na_2PO_3F.10 H_2O(II)

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摘要

The structures of two new sodium salts of monofluorophos- phoric acid, Na8P03F .2.5820 (1) and Na2P03F ..10820 (II), were determined with single-crystal X-ray diffraction at 160 K. I is monoclinic with the space group C2/c, a = .19..1.12(4), b = 5.34.1 (.1), c = .12.727(3) A, p = .1.10..18(3)0, V= .12.19.4(4) A3, and Z= 8 (R. = 0.0276 and wRz = 0.0647). II crystallizes in the monoclinic space group, P21/c, a= .1.1.380(3), b = .10.234(2), c=.13.051(4)A, p=106.49(3)O, V=1457.4(7)A3, and Z=4 (R. = 0.0266 and wRz = 0.0581). The crystal structure of I con- tains hydrogen-bonded zigzag chains of 8P03F tetrahedra. The fluorine atom does not participate in the hydrogen bonding system. In the structure of II, hydrogen bonds create a complex structure of water molecules connected to each other and to the PO3F tetrahedron. The structure is isotypic to NaZS04. .10820 with two disordered hydrogen atoms instead of four. The fluorine atom acts as an acceptor in two of the hydrogen bonds.
机译:在160 K下用单晶X射线衍射确定了两种新的单氟磷酸钠盐Na8P03F .2.5820(1)和Na2P03F ..10820(II)的结构。I为单斜晶,空间群为C2 / c,a = .19..1.12(4),b = 5.34.1(.1),c = .12.727(3)A,p = .1.10..18(3)0,V = .12.19。 4(4)A3,Z = 8(R。= 0.0276和wRz = 0.0647)。 II在单斜空间群中结晶,P21 / c,a = .1.1.380(3),b = .10.234(2),c = .13.051(4)A,p = 106.49(3)O,V = 1457.4 (7)A3,Z = 4(R. = 0.0266,wRz = 0.0581)。 I的晶体结构包含8P03F四面体的氢键曲折链。氟原子不参与氢键系统。在II的结构中,氢键形成相互连接并与PO3F四面体相连的水分子的复杂结构。该结构与Na 2 SO 4同型。 .10820具有两个无序氢原子,而不是四个。氟原子在两个氢键中充当受体。

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