Superspace crystal symmetry of thermoelectric misfit cobalt oxides and predicted structural models [0.03%]
热电错配尖晶石钴氧化物的超空间晶体对称性及预测结构模型
D Grebille,H Muguerra,O Pérez et al.
D Grebille et al.
Single crystals of thermoelectric misfit lamellar cobalt oxide phases in the Bi-Ca-Co-O and I-Bi-Ca-Co-O systems were synthesized. They are characterized by aperiodic structures involving two partially independent sublattices: a CdI(2)-type...
Maxim Avdeev,El&#x;ad N Caspi,Sergey Yakovlev
Maxim Avdeev
This paper presents analytical expressions for the calculation of ratios of cation coordination polyhedra volumes (V(A)/V(B)) for perovskites ABX(3) of the Stokes-Howard diagram directly from atomic coordinates. We show the advantages of qu...
Crystal chemistry of borates: the classification and algebraic description by topological type of fundamental building blocks [0.03%]
硼酸盐的晶体化学：由拓扑类型分类和代数描述基本结构单元
Guanghui Yuan,Dongfeng Xue
Guanghui Yuan
The structural characteristics of all the borates available were analyzed using the Inorganic Crystal Structure Database. The fundamental building blocks (FBBs) in 841 borates were systematically classified into 6 types in terms of their to...
Structures of stable and metastable Ge2Bi2Te5, an intermetallic compound in a GeTe-Bi2Te3 pseudobinary system [0.03%]
Ge2Bi2Te5的类金属互化物的稳定和亚稳相结构研究（取自GeTe-Bi2Te3伪二元系统）
Toshiyuki Matsunaga,Rie Kojima,Noboru Yamada et al.
Toshiyuki Matsunaga et al.
Ge(2)Bi(2)Te(5) in the GeTe-Bi(2)Te(3) pseudobinary system has two single-crystalline phases: a metastable phase with an NaCl-type structure and a stable phase with a nine-layer trigonal structure. In the metastable phase, the structure con...
Angel Vegas,Valentín García-Baonza
Angel Vegas
The generalization of the Zintl-Klemm concept provides a universal formulation of a crystal structure in terms of universal building skeletons formed by Klemm's pseudoatoms: atoms that behave structurally according to their formal total ele...
Unravelling the chemical basis of the bathochromic shift in the lobster carapace; new crystal structures of unbound astaxanthin, canthaxanthin and zeaxanthin [0.03%]
甲壳动物虾青蛋白蓝移的化学机理研究；虾青素、β-胡萝卜素及紫黄素单分子晶体结构测定及分析
Giuditta Bartalucci,Jennifer Coppin,Stuart Fisher et al.
Giuditta Bartalucci et al.
The crystal structures of the unbound carotenoids, synthetic astaxanthin (3S,3'S:3R,3'S:3R,3'R in a 1:2:1 ratio), canthaxanthin and (3R,3'S, meso)-zeaxanthin are compared with each other and the protein bound astaxanthin molecule in the car...
Influence of fluoro-substitution on the planarity of 4-chlorobiphenyl (PCB 3) [0.03%]
氟取代对4-氯联苯（PCB 3）共平面性的影响
G Luthe,D C Swenson,L W Robertson
G Luthe
Accurate structure determinations by X-ray crystal analysis and computation using semi-empirical self-consistent field molecular orbital calculations are described and compared for five monofluorinated analogues of 4-chlorobiphenyl, i.e. 2-...
Chemical bonding and intermolecular interactions in energetic materials: 1,3,4-trinitro-7,8-diazapentalene [0.03%]
含能材料中的化学键合与分子间相互作用：1,3,4-三硝基-7,8-二氮杂喋啶并萘分子的实例研究
Yu-Sheng Chen,Adam I Stash,A Alan Pinkerton
Yu-Sheng Chen
The electron density and related properties of the red-colored energetic material 1,3,4-trinitro-7,8-diazapentalene (space group Pca2(1)) have been determined from a low-temperature [90.0 (1) K] X-ray diffraction experiment. Intensity data ...
Structure and hydrogen bonding in 2,4-dihydroxybenzoic acid at 90, 100, 110 and 150 K; a theoretical and single-crystal X-ray diffraction study [0.03%]
90，100，110和150K下间苯二甲酸的结构及氢键关联：理论与单晶X射线衍射研究
Andrew Parkin,Martin Adam,Richard I Cooper et al.
Andrew Parkin et al.
A new polymorph of 2,4-dihydroxybenzoic acid is reported. The structure was characterized by multiple-temperature X-ray diffraction and solid-state DFT computations. The material shows a geometric pattern of hydrogen bonding consistent with...
Mikhail A Strzhemechny,Vyacheslav N Baumer,Anatoli A Avdeenko et al.
Mikhail A Strzhemechny et al.
A combination of single-crystal and powder X-ray diffractometry was used to study the structure of two polymorphs of 4-bromobenzophenone over the temperature range from 100 to 300 K. One of the polymorphs of the title compound was known pre...