Nb2O5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to four O2- atoms to form corner-sharing NbO4 tetrahedra. The corner-sharing octahedra tilt angles range from 34–48°. There are a spread of Nb–O bond distances ranging from 1.86–1.89 Å.

Explore the - crystalline lattice structure of Nb2O5 hp-ht with lattice parameters, 3d interactive image of unit cell, cif file, lattice constants & more. Skip to main content ... Solid Phases, SpringerMaterials (online database), Springer, Heidelberg (ed.) SpringerMaterials Nb2O5 Crystal Structure sd_0528993 (Springer-Verlag GmbH, Heidelberg ...

2022年7月1日 · The Rietveld refinement of the hexagonal phase employed the Crystallographic Information File (CIF) from the Cambridge Crystallographic Data Centre (CCDC) #2082726 [15]. The Rietveld method was used with structure factor (F obs) extraction, Marquardt dumping of 1.00, and convergence criteria of 0.01. The first refined parameter was the ...

2楼: Originally posted by bible2 at 2011-08-05 08:14:22: 1.你的数据不知道用什么软件可以打开,有没有文本数据? 2.没有一个cif文件对应的衍射数据和你给出的数据一样.

2022年9月23日 · 1、是否有Nb2O5的伪六方相（pseudo hexagonal phase)和正交相（orthorhombic phase)的cif文件？如果有的话，是否可分享一下？ 2、我在COD晶体数据库中只找到一个Nb2O5的cif（具体如下），且无法分辨是哪种结构。 也想请教大家：拿到一个cif如何分辨是 …

The actual structure is similar to the T-Nb2O5, with a superlattice structure, and niobium atoms in more symmetric wyckoff positions. You can find a CIF file deposited for the TT structure: https ...

Nb2O5 crystallizes in the monoclinic P2 space group. The structure is three-dimensional. there are fifteen inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to six O2- atoms to form distorted NbO6 octahedra that share corners with three NbO6 octahedra, a cornercorner with one NbO4 tetrahedra, and edges with two equivalent NbO6 octahedra.

Nb2O5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nb5+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 0–33°. There are a spread of Nb–O bond distances ranging from 1.80–2.26 Å. There are three inequivalent O2- sites.

Explore the - crystalline lattice structure of Nb8.4O21 hp with lattice parameters, 3d interactive image of unit cell, cif file, lattice constants & more. Skip to main content ... Solid Phases, SpringerMaterials (online database), Springer, Heidelberg (ed.) SpringerMaterials Nb2O5 (Nb8.4O21 hp) Crystal Structure sd_0458550 (Springer -Verlag ...

Number of atoms per primitive cell = 14 Total number of electrons per primitive cell = 112 ; Band gap = 2.7685 eV Direct Gap = 2.894 eV Metallicity = 0.000 Topological Z2 indices ν = (0;000) ; cif file - scf.in - scf.out - bands.in - bands.out; Reference: Die Kristallstruktur von zeta-Nb2 O5, Naturwissenschaften 51, 633 (1964)