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1.
E. I. Get’man E. V. Borisova S. N. Loboda A. V. Ignatov 《Russian Journal of Inorganic Chemistry》2013,58(3):265-268
Sodium neodymium silicate NaNd9(SiO4)6O2 with the apatite structure has been synthesized and studied by X-ray diffraction and scanning electron microscopy. No sodium oxide sublimation occurred during ceramic synthesis by the selected method. The Rietveld method shows that sodium atoms in the structure are ordered (in the 4f position). The O(4) oxygen atoms, which are not involved in silicate ions, are positioned in the centers of triangles formed by Nd(2) atoms. Rather long Nd-Nd distances (3.940 Å) indicate a possible existence of luminescent properties. 相似文献
2.
Ivor Bull John B. Parise 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(10):i100-i102
The crystal structures of two novel phyllosilicates with compositions Cs[Si3O6(OH)] (caesium hydroxohexaoxotetraotrisilicate) and Rb[Si2O4(OH)] (rubidium hydroxohexaoxotetraodisilicate) have been characterized by X‐ray diffraction. The topology of the caesium phyllosilicate silica sheet consists of interconnected four‐ and six‐membered rings and thus differs from all of the previously reported phyllosilicates. The topology of the rubidium phyllosilicate silica sheet consists of six‐membered rings only, in boat conformations, resulting in a corrugated sheet similar to that observed in δ‐Na2Si2O5. Both of the title compounds exhibit the characteristic sandwich structure of sheet silicates, with the Cs atom ninefold coordinated and the Rb atom eightfold coordinated to the framework O atoms. 相似文献
3.
Necmi Dege Hasan Ibudak Elif Adyaman 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(9):m401-m403
In the crystal structure of the title compound {systematic name: bis[6‐methyl‐1,2,3‐oxathiazin‐4(3H)‐one 2,2‐dioxide(1−)‐κ2N3,O4]bis(3‐methylpyridine)copper(II)}, [Cu(C4H4NO4S)2(C6H7N)2], the CuII centre resides on a centre of symmetry and has an octahedral geometry that is distorted both by the presence of four‐membered chelate rings and because of the Jahn–Teller effect. The equatorial plane is formed by the N atoms of two methylpyridine ligands and by the more basic O atoms of the acesulfamate ligands, while the weakly basic N atoms of these ligands are in elongated axial positions with a misdirected valence. The crystal is stabilized by two intermolecular C—H⋯O interactions involving the methyl and CH groups, and the sulfonyl O atoms of the acesulfamate group. 相似文献
4.
J. Bennazha A. El‐Maadi Ali Boukhari Elizabeth M. Holt 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(6):i76-i78
The crystal structures of two new diphosphates, sodium hexamanganese bis(diphosphate) triphosphate, NaMn6(P2O7)2(P3O10), and potassium hexacadmium bis(diphosphate) triphosphate, KCd6(P2O7)2(P3O10), confirm the rigidity of the M6(P2O7)2(P3O10) matrix (M is Mn or Cd) and the relatively fixed dimensions of the tunnels extending in the a direction of the unit cell. The compounds are isomorphous; the P2O74? anion and the alkali metal cations lie on mirror planes. Bond‐valence analysis of the bonding details of the atoms found within the tunnels permits a prediction of the conductivity. 相似文献
5.
Uwe Kolitsch 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):m129-m133
Rubidium chromium(III) dioxalate dihydrate [diaquabis(μ‐oxalato)chromium(III)rubidium(I)], [RbCr(C2O4)2(H2O)2], (I), and dicaesium magnesium dioxalate tetrahydrate [tetraaquabis(μ‐oxalato)magnesium(II)dicaesium(I)], [Cs2Mg(C2O4)2(H2O)4], (II), have layered structures which are new among double‐metal oxalates. In (I), the Rb and Cr atoms lie on sites with imposed 2/m symmetry and the unique water molecule lies on a mirror plane; in (II), the Mg atom lies on a twofold axis. The two non‐equivalent Cr and Mg atoms both show octahedral coordination, with a mean Cr—O distance of 1.966 Å and a mean Mg—O distance of 2.066 Å. Dirubidium copper(II) dioxalate dihydrate [diaquabis(μ‐oxalato)copper(II)dirubidium(I)], [Rb2Cu(C2O4)2(H2O)2], (III), is also layered and is isotypic with the previously described K2‐ and (NH4)2CuII(C2O4)2·2H2O compounds. The two non‐equivalent Cu atoms lie on inversion centres and are both (4+2)‐coordinated. Hydrogen bonds are medium‐strong to weak in the three compounds. The oxalate groups are slightly non‐planar only in the Cs–Mg compound, (II), and are more distinctly non‐planar in the K–Cu compound, (III). 相似文献
6.
Abdurrahman engül Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(3):m119-m121
In the title compound, [Cu(C6H4NO3)2(H2O)2], the CuII ion lies on an inversion centre and has an elongated octahedral environment, equatorially trans‐coordinated by two N,O‐bidentate picolinate ligands and axially coordinated by two water O atoms. The complex molecules form layers, which are linked by O—H⋯O hydrogen bonds between the aqua ligands and neighbouring carboxylate groups. An intramolecular hydrogen bond between the coordinated carboxylate O atom and the hydroxy H atom is also observed. 相似文献
7.
Suchada Chantrapromma Anwar Usman Hoong‐Kun Fun 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(11):m534-m536
The molecule of the title compound {systematic name: di‐μ‐sulfido‐bis[diaqua(1,4,7,10,13,16‐hexaoxacyclooctadecane‐κ6O)barium(II)] bis[1,2‐benzisothiazol‐3(2H)‐one 1,1‐dioxide]}, [Ba2S2(C12H24O6)2(H2O)4](C7H5NO3S)2, lies on an inversion centre. The BaII atom encapsulated by the 18‐crown‐6 ring is coordinated by the six O atoms of the crown, two water O atoms and two bridging S atoms. The four‐membered ring composed of the BaII atoms and the bridging S atoms makes a dihedral angle of 67.1 (1)° with the crown‐ether ring. The aromatic ring system of the saccharin moiety is essentially planar. The packing is built up from layers of the molecules and is stabilized by three intermolecular O—H?O hydrogen bonds. 相似文献
8.
Thidarat Chotkhun Sujittra Youngme Narongsak Chaichit 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):m59-m61
In the title dinuclear acetate‐bridged complex, [Cu2(C2H3O2)3(NCS)(C10H9N3)2], the two Cu atoms are five‐coordinated, with a basal plane consisting of two N atoms of a di‐2‐pyridylamine (dpyam) ligand and two O atoms of two different acetate ligands. The axial positions of these Cu atoms are coordinated to N and O atoms from thiocyanate and acetate molecules, respectively, leading to a distorted square‐pyramidal geometry with τ values of 0.30 and 0.22. Both CuII ions are linked by an acetate group in the equatorial–equatorial positions and have syn–anti bridging configurations. Hydrogen‐bond interactions between the amine H atom and the coordinated and uncoordinated O atoms of the acetate anions generate an infinite one‐dimensional chain. 相似文献
9.
Eugenia V. Peresypkina Alexander V. Virovets Jeanne V. Akhmerkina Larisa B. Serezhkina 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):m355-m356
We present the first example of a compound containing Ba2+, C2O42−, water and some additional halide or pseudo‐halide anions, viz. hexa‐μ2‐aqua‐μ6‐oxalato‐dibarium(II) diisothiocyanate, {[Ba2(C2O4)(H2O)6](NCS)2}n. The structure consists of positively charged planar covalent layers of Ba2+ cations, oxalate anions and water molecules. The first coordination sphere of the Ba2+ cation contains six water molecules and four O atoms from two planar oxalate anions. The oxalate anion lies on an inversion centre and is coordinated to six Ba2+ cations, each donor O atom being bonded to two cations. Pairs of water molecules are coordinated by two Ba2+ cations. The layers are interspersed with non‐coordinated NCS− anions. 相似文献
10.
Jie Chen Ning‐Hai Hu Jie Zhan Yue‐Sheng Li 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(7):m337-m338
A new polynuclear titanium(IV) complex, dichlorodeca‐μ2‐oxo‐hexakis(pentamethylcyclopentadienyl)hexatitanium(IV), [Ti6(C10H15)6Cl2O10], has been synthesized by hydrolysis of a titanium complex bearing an N‐(2‐hydroxy‐3,5‐dimethylbenzyl)diethanolamine Mannich ligand. The molecule has two O‐bridged Ti3O3 rings linked to two similar rings through a tetrahedrally O‐coordinated Ti atom. All Ti atoms except the central one are coordinated to pentamethylcyclopentadienyl (Cp*) ligands. The Cp* ligands are arranged with approximate symmetry with respect to the Ti/O/Cl core. 相似文献
11.
Bin Deng Jiyong Yao James A. Ibers 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(11):i110-i112
The crystal structures of two new quaternary compounds, viz. dicerium orthosilicate selenide and dicerium orthosilicate telluride, Ce2(SiO4)Q (Q = Se or Te), have been determined from single‐crystal X‐ray diffraction data. Each structure comprises infinite chains of SiO4 tetrahedra separated by Ce and Q atoms. The site symmetries are Ce m and 2, Si 2 and Qm. The O atoms are in general positions. 相似文献
12.
Louis J. Farrugia Robert D. Peacock Brian Stewart 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):e435-e436
The three title complexes, namely pentasodium tris(2,2′‐oxydiacetato)neodymium(III) bis(tetrafluoroborate) hexahydrate and its samarium(III) and gadolinium(III) analogues, (I)–(III), respectively, are isomorphous and isostructural and have crystallographic D3 symmetry. The lanthanide metal ions are nine‐coordinate, binding to three O atoms of three oxodiacetate ligands. One Na+ ion is octahedrally coordinated to six O atoms and the other Na+ ion is octahedrally coordinated to four O atoms and two F atoms. The structure is effectively an infinite three‐dimensional polymer, consistent with the exceptional crystal quality. The racemic solutions spontaneously resolve on crystallization. For the individual crystals selected for structural analysis, the Nd and Sm complexes have the Λ configuration, while the Gd complex has the Δ configuration. The lanthanide–oxygen distances show the expected contraction of ca 0.02 Å with increasing atomic number for the lanthanide metal. 相似文献
13.
Lan Yang Changwen Hu Haruo Naruke Toshihiro Yamase 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(7):799-801
The title compound, poly[[[diaqua(μ‐4,4′‐bipyridyl)dinickel(II)]‐bis(μ‐4,4′‐bipyridyl)‐di‐μ‐hexaoxodivanadate(2?)] 2.5‐hydrate], [Ni2(V2O6)2(C10H8N2)3(H2O)2]·2.5H2O, has been prepared hydrothermally and characterized by elemental analyses, IR spectroscopy and single‐crystal X‐ray diffraction. The structure consists of [V2O6], [Ni(4,4′‐bipy)4O2] and [Ni(H2O)2(4,4′‐bipy)2O2] polyhedra, and water of crystallization. The Ni atoms and one bipyridyl group lie on centres of symmetry. 相似文献
14.
Uwe Ruschewitz Ingo Pantenburg 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(9):m483-m484
In catena‐poly[[[triaquacadmium(II)]‐μ‐acetylenedicarboxylato‐κ4O,O′:O′′,O′′′] hydrate], {[Cd(C4O4)(H2O)3]·H2O}n, the CdII atom is coordinated by two bidentate carboxylate groups and three water molecules, thus forming a sevenfold coordination polyhedron with all atoms located on general sites. These polyhedra are connected by the bifunctional acetylenedicarboxylate ligands, forming zigzag chains running parallel to [120]. Hydrogen bonds, which involve the non‐coordinated water molecule, connect these chains to form a three‐dimensional framework. 相似文献
15.
Suchada Chantrapromma Anwar Usman Hoong‐Kun Fun 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(11):m531-m533
In the title compound [systematic name: triaqua(1,4,7,10,13,16‐hexaoxacyclooctadecane‐κ6O)(2‐nitrophenolato‐κO)barium(II)–aqua(1,4,7,10,13,16‐hexaoxacyclooctadecane‐κ6O)‐ bis(2‐nitrophenolato‐κ2O,O′)barium(II)–2‐nitrophenolate (1/1/1)], [Ba(C12H24O6)(C6H4NO3)(H2O)3][Ba(C12H24O6)(C6H4NO3)2(H2O)](C6H4NO3), the two BaII atoms encapsulated by the 18‐crown‐6 rings have different coordinations. Although both BaII atoms are coordinated to the six O atoms of the crowns, in the neutral moiety, the BaII atom is coordinated to one terminal O atom from a water molecule, two phenolate O atoms and two nitro‐group O atoms, while in the cationic moiety, the BaII atom is coordinated to three terminal O atoms from water molecules and one phenolate O atom. Both the crowns are eclipsed and translated along the b direction. In the asymmetric unit, the three components are interconnected by four O—H?O interactions. The packing is stabilized by two intermolecular C—H?O interactions and by one O—H?O interaction. 相似文献
16.
Kenny Stahl Jens E. T. Andersen Stephan Christgau 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(4):m144-m149
Four strontium(II) salts with organic acids have been studied. Poly[diaquadi‐μ‐ibuprofenato‐strontium(II)] or poly[diaquabis[μ‐2‐(4‐isobutylphenyl)propionato]strontium(II)], [Sr(C13H17O2)2(H2O)2]n, crystallizes with eight‐coordinated Sr atoms. The coordination polyhedra are interconnected by edge‐sharing to form chains. The Sr coordination chains are packed into layers, which are stacked by van der Waals interactions. Poly[μ‐aqua‐diaquadi‐μ‐malonato‐distrontium(II)], [Sr2(C3H2O4)2(H2O)3]n, crystallizes with nine‐coordinated Sr atoms three‐dimensionally interconnected into a framework structure. One of the two crystallographically independent water molecules is located on a twofold axial site. catena‐Poly[[diaqua(ascorbato)strontium(II)]‐μ‐ascorbato], [Sr(C6H7O6)2(H2O)2]n, crystallizes with isolated eight‐coordinated Sr polyhedra. One of the ascorbate ligands bridges two Sr atoms, forming zigzag polyhedral ascorbate chains. These chains are tied together by a three‐dimensional hydrogen‐bonding network. Poly[aqua‐μ‐2‐oxidobenzoato‐strontium(II)], [Sr(C7H4O3)(H2O)]n, crystallizes with eight‐coordinated Sr atoms. The polyhedra are interconnected by face‐ and edge‐sharing into layers. These layers are stacked by van der Waals forces between the protruding 2‐oxidobenzoate ligands. 相似文献
17.
Jacques Darriet Hamdi Ben Yahia Etienne Gaudin 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(7):i79-i80
Single crystals of sodium tetracalcium trivanadium dodecaoxide were prepared by melting a powder sample of NaCa4(VO4)3 at 1673 K, followed by slow cooling to room temperature. The compound crystallizes in the Pnma space group and is isostructural with the mineral silicocarnotite, Ca5(PO4)2SiO4. The structure is composed of isolated VO4 tetrahedra linked by sodium and calcium cations disordered over eight‐ and seven‐coordinated sites. 相似文献
18.
Heinrich Billetter Frauke Hohn Ingo Pantenburg Uwe Ruschewitz 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(4):m130-m131
In the title compound, catena‐poly[[[triaquacopper(II)]‐μ‐acetylenedicarboxylato‐κ2O:O′′] hydrate], {[Cu(C4O4)(H2O)3]·H2O}n, the CuII ion is coordinated by two monodentate carboxylate groups in trans positions and three water molecules, thus forming a fivefold coordination polyhedron that can be described as a distorted square pyramid. All atoms are located on general sites. The polyhedra are connected by bifunctional acetylenedicarboxylate ligands, to form almost linear chains parallel to [001]. Hydrogen bonds involving the non‐coordinated water molecule connect these chains to form a three‐dimensional framework. 相似文献
19.
Uwe Kolitsch 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(5):i35-i37
Sodium indium(III) chromate(VI) dihydrate, NaIn(CrO4)2·2H2O, synthesized from an aqueous solution at room temperature, is the first indium(III) member of the large family of compounds with kröhnkite [Na2CuII(SVIO4)2·2H2O]‐type chains. The crystal structure is based on infinite octahedral–tetrahedral [In(CrO4)2(H2O)2]− chains along [010], linked via charge‐balancing Na+ cations. The slightly distorted InO4(H2O)2 octahedra are characterized by a mean In—O distance of 2.125 Å. The CrO4 tetrahedra are strongly distorted (mean Cr—O = 1.641 Å). The Na atom shows an octahedral coordination, unprecedented among compounds with kröhnkite‐type chains. The NaO6 octahedra share opposite edges with the InO4(H2O)2 octahedra to form infinite [001] chains. The hydrogen bonds are of medium strength. NaIn(CrO4)2·2H2O belongs to the structural type F2 in the classification of Fleck, Kolitsch & Hertweck [Z. Kristallogr. (2002), 217 , 435–443], and is isotypic with KAl(CrO4)2·2H2O and MFe(CrO4)2·2H2O (M = K, Tl or NH4). All atoms are in special positions except one O atom. 相似文献
20.
Lin‐Yan Li Guo‐Bao Li Ming Xiong Ying‐Xia Wang Jian‐Hua Lin 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):i115-i116
The structure of a new synthetic compound, diammonium tetrahydroxydecaborate monohydrate, has been determined by single‐crystal X‐ray diffraction. It crystallizes in triclinic space group and all atoms occupy general sites. The title compound is composed of [B10O15(OH)4]4− ions as the fundamental building blocks, and these are linked end‐to‐end by sharing two common O atoms, thus producing infinite chains of composition [B10O14(OH)4]n2n–. These chains are linked by hydrogen bonds, thus forming borate sheets. Water molecules and ammonium ions between these sheets connect adjacent sheets via hydrogen bonds. 相似文献