A new sodium indium phosphate Na 6In 4[P 7O 24(OH) 5]·4H 2O was synthesized under a mild hydrothermal condition and its structure was determined by means of single-crystal X-ray diffraction methods. The title com...A new sodium indium phosphate Na 6In 4[P 7O 24(OH) 5]·4H 2O was synthesized under a mild hydrothermal condition and its structure was determined by means of single-crystal X-ray diffraction methods. The title compound crystallizes in a hexagonal system, space group P6 3, with a= 0.950 23(5) nm, b=0.950 23(5) nm, c=1.694 2(2) nm, α=90°, β=90°, γ=120°, V=1.324 8(2) nm 3, Z=8, structure refined to R=0.052 8 and wR=0.116 5 for 2 134 independent observed reflections. The three-dimensional network structure consists of helical chains formed by apex-sharing polyhedra. The connection of the chains results in 4- and 8-polyhedral rings and cages centered by three indium metal connecting oxygen atoms formed by three 4-rings. The three-connected oxygen atom is firstly observed in indium phosphate systems.展开更多
Several indium borophosphates have been reported recently,including K In[BP 2 O 8 (OH)]( Ⅰ )and NaIn[BP 2 O 8 (OH)]( Ⅱ ).The latter two compounds were synthesized under mild hydrothermal condit ions,and have the sam...Several indium borophosphates have been reported recently,including K In[BP 2 O 8 (OH)]( Ⅰ )and NaIn[BP 2 O 8 (OH)]( Ⅱ ).The latter two compounds were synthesized under mild hydrothermal condit ions,and have the same molar ratio(M Ⅰ ∶In∶B∶P∶O∶H)in molecular formula but with different structure types.C ompound Ⅰ crystallizes in the triclinic system with space group P1(No.2), a =0.52638(4)nm, b =0.84791(5)nm, c =0.81469(9)nm,α=91.1741(7)°,β=93.061(7) °,γ=79.823(5)°, V =0.3573nm 3 ,Z=2;while compound Ⅱ possesses a monoclinic structure with space group P 2 1 / n (No.14)with a =0.5177(1)nm, b =1.6815(3)nm, c =0.7684(2)nm,β=94.10(3)°, V =0.6672(2)nm 3 ,Z=4.Eight-membered-ring and six-membered-ring are formed by alterna ting borate,phosphate tetrahedra and In-coordination octahedron sharing corner s via common oxygen atoms in compound Ⅰ and Ⅱ respectively.The polyhedra in the structure are oriented along certain dire ction to form alternating layered fragments.These two structure types can be co nsidered as intergrowth structures,which consist of the same layered fragments growing in different orientations.Other structure intergrowth possibilities are also expected in similar systems.CSD: Ⅰ ,409583; Ⅱ ,413343.展开更多
首次采用溶胶-凝胶法制备Na2MnSiO4/C纳米复合正极材料.X射线衍射（XRD）和Rietveld结构精修结果表明,合成的Na2MnSiO4材料为单斜晶系、Pn空间群.红外光谱（FTIR）结果证实材料中不含有Na2SiO3和SiO2等杂质.电化学测试结果表明,该材料在...首次采用溶胶-凝胶法制备Na2MnSiO4/C纳米复合正极材料.X射线衍射（XRD）和Rietveld结构精修结果表明,合成的Na2MnSiO4材料为单斜晶系、Pn空间群.红外光谱（FTIR）结果证实材料中不含有Na2SiO3和SiO2等杂质.电化学测试结果表明,该材料在1 mol·L-1NaClO4/PC电解液中,电流密度为14 m A·g-1、电压范围为1.5~4.2V（vs.Na＋/Na）测试条件下,其首次可逆放电比容量高达113 m Ah·g-1.展开更多
文摘为满足计算机检索的需要,新的晶胞选取原则对低级晶族矿物额外增加了限制条件,斜方晶系要求满足不等式 c<a<b;单斜晶系要求c>a,β角在90°—120°之间;三斜晶系要求 c<a<b,α,β角在90°—120°之间,γ角在60°—120°之间。斜方晶系同一空间群类型不同晶体取向最多可有六种不同的空间群符号,晶体从一种取向转化为另一种取向,其空间群符号和等效点系坐标都要发生相应的变化,本文用 C 语言编写了不同晶体取向之间空间群符号相互自动转换的计算机程序。
文摘A new sodium indium phosphate Na 6In 4[P 7O 24(OH) 5]·4H 2O was synthesized under a mild hydrothermal condition and its structure was determined by means of single-crystal X-ray diffraction methods. The title compound crystallizes in a hexagonal system, space group P6 3, with a= 0.950 23(5) nm, b=0.950 23(5) nm, c=1.694 2(2) nm, α=90°, β=90°, γ=120°, V=1.324 8(2) nm 3, Z=8, structure refined to R=0.052 8 and wR=0.116 5 for 2 134 independent observed reflections. The three-dimensional network structure consists of helical chains formed by apex-sharing polyhedra. The connection of the chains results in 4- and 8-polyhedral rings and cages centered by three indium metal connecting oxygen atoms formed by three 4-rings. The three-connected oxygen atom is firstly observed in indium phosphate systems.
文摘Several indium borophosphates have been reported recently,including K In[BP 2 O 8 (OH)]( Ⅰ )and NaIn[BP 2 O 8 (OH)]( Ⅱ ).The latter two compounds were synthesized under mild hydrothermal condit ions,and have the same molar ratio(M Ⅰ ∶In∶B∶P∶O∶H)in molecular formula but with different structure types.C ompound Ⅰ crystallizes in the triclinic system with space group P1(No.2), a =0.52638(4)nm, b =0.84791(5)nm, c =0.81469(9)nm,α=91.1741(7)°,β=93.061(7) °,γ=79.823(5)°, V =0.3573nm 3 ,Z=2;while compound Ⅱ possesses a monoclinic structure with space group P 2 1 / n (No.14)with a =0.5177(1)nm, b =1.6815(3)nm, c =0.7684(2)nm,β=94.10(3)°, V =0.6672(2)nm 3 ,Z=4.Eight-membered-ring and six-membered-ring are formed by alterna ting borate,phosphate tetrahedra and In-coordination octahedron sharing corner s via common oxygen atoms in compound Ⅰ and Ⅱ respectively.The polyhedra in the structure are oriented along certain dire ction to form alternating layered fragments.These two structure types can be co nsidered as intergrowth structures,which consist of the same layered fragments growing in different orientations.Other structure intergrowth possibilities are also expected in similar systems.CSD: Ⅰ ,409583; Ⅱ ,413343.
文摘首次采用溶胶-凝胶法制备Na2MnSiO4/C纳米复合正极材料.X射线衍射（XRD）和Rietveld结构精修结果表明,合成的Na2MnSiO4材料为单斜晶系、Pn空间群.红外光谱（FTIR）结果证实材料中不含有Na2SiO3和SiO2等杂质.电化学测试结果表明,该材料在1 mol·L-1NaClO4/PC电解液中,电流密度为14 m A·g-1、电压范围为1.5~4.2V（vs.Na＋/Na）测试条件下,其首次可逆放电比容量高达113 m Ah·g-1.
