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1.
The crystal structure of magnesium selenite 7.5‐hydrate, Mg(SeO3)·7.5H2O (space group P63/mmc), is characterized by two crystallographically distinct [Mg(H2O)6]2+ octahedra, one of which is disordered over two different orientations. The selenite groups and water molecules (with partially disordered H atoms) bridge the octahedra via hydrogen bonds. All the atoms are located on special positions, except for one water molecule. 相似文献
2.
Michel Fleck Ladislav Bohatý 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):m412-m416
In catena‐poly[[[diaquanickel(II)]‐di‐μ‐glycine] dibromide], {[Ni(C2H5NO2)2(H2O)2]Br2}n, (I), the Ni atom is located on an inversion centre. In catena‐poly[[[tetraaquamagnesium(II)]‐μ‐glycine] dichloride], {[Mg(C2H5NO2)(H2O)4]Cl2}n, (II), the Mg atom and the non‐H atoms of the glycine molecule are located on a mirror plane. All other atoms are located on general positions. The atomic arrangements of both compounds are characterized by [MO6] octahedra (M = Ni or Mg) connected by glycine molecules, with the halogenide ions in the interstices. In (I), four of the coordinating O atoms are from glycine and two are from water molecules, building layers of octahedra and organic molecules. In (II), two of the coordinating O atoms are from glycine and four are from water molecules. The octahedra and organic molecules form chains. 相似文献
3.
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
4.
Jaromír Marek Pavel Kopel Zdenk Trvní
ek 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(12):m558-m560
In the crystal structure of the title compound, [N,N′‐bis(3‐aminopropyl)ethylenediamine‐κ4N,N′,N′′,N′′′][1,3,5‐triazine‐2,4,6(1H,3H,5H)‐trithionato(2−)‐κ2N,S]zinc(II) ethanol solvate, [Zn(C8H22N4)2(C3HN3S3)]·C2H6O, the ZnII atom is octahedrally coordinated by four N atoms [Zn—N = 2.104 (2)–2.203 (2) Å] of a tetradentate N‐donor N,N′‐bis(3‐aminopropyl)ethylenediamine (bapen) ligand and by two S and N atoms [Zn—S = 2.5700 (7) Å and Zn—N = 2.313 (2) Å] of a trithiocyanurate(2−) (ttcH2−) dianion bonded as a bidentate ligand in a cis configuration. The crystal structure of the compound is stabilized by a network of hydrogen bonds. 相似文献
5.
Günther J. Redhammer Georg Roth Georg Amthauer 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(4):i21-i24
The structure of copper(I,II) pentachromium(III) germanate, Cu(Cu0.44Cr4.56)Ge2O12, contains one Cu position (m2m), one Ge position (m) and three Cr positions (2/m, m and 2). The close‐packed structure is described in terms of slabs of edge‐sharing Cr3+O6 octahedra and isolated CuO4 and GeO4 tetrahedra. These slabs are aligned parallel to the bc plane and are separated from each other by GeO4 tetrahedra along a. The tetrahedral coordination observed for the Cu+/Cu2+ ions represents an unusual feature of the structure. The Cr—O and Cu—O bond lengths are compared with literature data. 相似文献
6.
Xin‐Qiang Wang Wen‐Tao Yu Dong Xu Guang‐Hui Zhang Yan‐Ling Geng 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):m278-m280
The title complex, [MnHg(NCS)4(C2H5NO)2]n, consists of slightly distorted MnN4O2 octahedra and HgS4 tetrahedra. Each MnII cation is bound to four N atoms of the NCS groups and two O atoms of the N‐methylformamide (NMF) ligands in a cis configuration. Each HgII cation is coordinated to four S atoms of NCS groups. Each pair of MnII and HgII cations is connected by an –NCS– bridge, forming an infinite three‐dimensional –Mn—NCS—Hg– network. 相似文献
7.
Andreas Lemmerer David G. Billing 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(12):m597-m601
The compounds catena‐poly[p‐phenylenediammonium [[diiodolead(II)]‐di‐μ‐iodo] dihydrate], {(C6H10N2)[PbI4]·2H2O}n, (I), and catena‐poly[bis(3,5‐dimethylanilinium) [[diiodolead(II)]‐di‐μ‐iodo]], {(C8H12N)2[PbI4]}n, (II), crystallize as organic–inorganic hybrids. As such, the structures consist of chains of [PbI2]− units extending along the c axis in (I) and along the b axis in (II). The asymmetric unit in (I) contains one Pb atom on a site of 2/m symmetry, two I atoms and a water molecule on mirror planes, and a p‐phenylenediammonium molecule that sits around a site of 2/m symmetry with the C and N atoms on a mirror plane. In (II), the Pb atom is on a twofold axis and the two I atoms are on general positions. Each Pb atom is octahedrally coordinated to six I atoms, arranged as chains of edge‐sharing octahedra. Both compounds undergo hydrogen‐bonding interactions between the ammonium groups and the I atoms. In addition, there are hydrogen bonds between the water molecules and the ammonium groups and halides in (I), and between the ammonium groups and the ring systems in (II). 相似文献
8.
Richard Paout Michal Duek 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(11):i77-i80
The crystal structure of the Sb‐rich variety of the mineral gustavite, silver lead tris(dibismuth/antimony) hexasulfide, AgPb(Bi2Sb)3S6, consists of blocks of diagonal chains of four octahedra, viz. M1a (Bi), M2a (Sb/Bi), M2b (Bi/Sb) and M1b (Ag), separated by Pb atoms in a trigonal prismatic coordination. Two marginal octahedral sites, M1a and M1b, where the gustavite substitution Ag+ + Bi3+ = 2Pb2+ takes place, are formed by Bi and Ag, respectively. Two central octahedra, M2a and M2b, where the Bi3+ = Sb3+ substitution takes place, are formed by two mixed Bi/Sb sites with different occupancies of Bi and Sb. The alternating occupation of the M1 site by Bi and Ag atoms (which thus creates two distinct sites M1a and M1b) results in the monoclinic space group P21/c. A statistical distribution of Ag/Bi in the M1 position (one mixed Ag/Bi site) was reported for synthetic gustavite, resulting in the orthorhombic space group Cmcm. 相似文献
9.
The crystal structures of six members of the homologous series with general formula [BiQX]2[AgxBi1?xQ2?2xX2x?1]N+1 (Q = S, Se; X = Cl, Br; 1/2 ≤ x ≤ 1) and N = 4, 5, or 7 were determined by single‐crystal X‐ray diffraction. The series are characterized by the parameters N and x and are denoted (N, x)P. Ag3Bi4S6Cl3 (x = 0.60) (I) , Ag3.5Bi3.5S5Br4 (x = 0.70) (II) and Ag3.65Bi3.35Se4.70Br4.30 (x = 0.73) (III) belong to (4, x)P series Ag5xBi7?5xQ12?10xX10x?3 and adopt the AgBi6S9 structure type. The (5, x)P compound Ag3.66Bi4.34S6.68Br3.32 (IV) , which corresponds to x = 0.61 in Ag6xBi8?6xS14?12xBr12x?4, crystallizes isostructurally to AgBi3S5. The compounds Ag4.56Bi5.44Se8.88Br3.12 (x = 0.57) (V) and Ag5.14Bi4.86S7.76Br4.24 (x = 0.64) (VI) , which are members of (7, x)P series Ag8xBi10?8xQ18?16xBr16x?6, adopt the Ag3Bi7S12 structure type. In the monoclinic crystal structures (space group C2/m) two kinds of layered modules alternate along [001]. Modules of type A uniformly consist of paired rods of face‐sharing monocapped trigonal prisms around Bi atoms with octahedra around mixed occupied metal positions (M = Ag/Bi) between them. Modules of type B are composed of [MZ6] octahedra, which are arranged in NaCl‐type fragments of thickness N. All structures exhibit Ag/Bi disorder in octahedrally coordinated metal positions as well as Q/X mixed occupation of some anion positions. Corresponding to their black color, all compounds are narrow‐gap semiconductors (Eg = 0.35 eV for (II) ). General characteristics of the entire class of (N, x)P compounds are gathered in a catalogue. 相似文献
10.
Ning‐Hai Hu Heng‐Qing Jia Jing‐Wei Xu Katsuyuki Aoki 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(12):m538-m541
The structure of poly[3‐[(4‐amino‐2‐methylpyrimidin‐1‐ium‐5‐yl)methyl]‐5‐(2‐hydroxyethyl)‐4‐methylthiazolium octa‐μ‐bromo/chloro(4.4/3.6)‐tricadmate(II)], {(C12H18N4OS)[Cd3 Br4.41Cl3.59]}n consists of hydrogen‐bonded thiamine molecules and polymeric cadmium bromide/chloride anions in an organic–inorganic hybrid fashion. The one‐dimensional anion ribbons are formed by edge‐sharing octahedra and vertex‐sharing tetrahedra. Thiamine molecules adopting the S conformation are linked to anions via three types of interactions, namely an N(amino)—H⋯anion⋯thiazolium bridging interaction, an N(pyrimidine)—H⋯anion hydrogen bond and an O(hydroxy)—H⋯anion hydrogen bond. 相似文献
11.
Halfantiperovskites II: on the Crystal Structure of Pd3Bi2S2 The crystallographic structure of Pd3Bi2S2 was determined from x‐ray diffraction data and compared to parkerite (Ni3Bi2S2), shandite (Ni3Pb2S2), and a high pressure form of laflammeite (Pd3Pb2S2). For Pd3Bi2S2 the structure type of corderoite, Hg3S2Cl2 (I213) was found that represents a cubic variant (a = 8,3097(9) Å) of the parkerite structure. It turns out to be a structural antitype of the low temperature cubic modification of K2Sn2O3, analogously to the previously investigated type‐antitype relation of shandit to high‐temperature K2Sn2O3. The crystal structures are derived from perovskites ABO3 and antiperovskites M3AX with only half of the O‐ and M‐sites being occupied. The M = Ni, Pd site ordering in shandite and parkerite type compounds is discussed in terms of ordered half antiperovskite (HAP) structures M3/2AS (A = Bi, Pb). The electronic band structure of Pd3Bi2S2 is calculated within the framework of density functional theory. The compound is found to behave metallic while K2Sn2O3 and corderoite are semiconductors. The bonding is analysed in terms of covalently bond [Pd3S2]δ? networks as proposed for [Sn2O3]2? and [Hg3S2]2+. 相似文献
12.
Neven Strukan Marina Cindri Maja Dev
i Gerald Giester Boris Kamenar 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):e278-e279
The crystal and molecular structure of the title compound, (C4H12N)2[Mo6O19]·H2O, has been determined from X‐ray diffraction data. The polyoxoanion [Mo6O19]2? is built up from six distorted MoO6 octahedra sharing common edges and one common vertex at the central O atom, and has crystallographic m3m (Oh) symmetry. The cation has crystallographic 3m symmetry. 相似文献
13.
Ag3Bi14Br21: a Subbromide with Bi24+ Dumbbells and Bi95+ Polyhedra – Synthesis, Crystal Structure and Chemical Bonding Black crystals of Ag3Bi14Br21 = (Bi95+)[Ag3Bi3Br153?](Bi2Br62?), the first argentiferous bismuth subhalide, were obtained from a stoichiometric melt of Ag, Bi, and BiBr3. The compound crystallizes in the monoclinic space group P21/m with lattice parameters a = 1277.78(5) pm, b = 1466.87(6) pm, c = 1342.62(5) pm, and β = 108.47(1)° at 110(5) K. In contrast to all other bismuth subhalides that contain an electron‐rich transition metal, the silver atoms are not bonded to bismuth atoms. Instead they are integrated into the anionic bromometallate network, which consists of [MBr6]‐octahedra (M = Ag, Bi) that share edges and vertices. These corrugated sheets alternate with tessellated layers formed by Bi95+ polycations and hitherto unknown (BiII2Br6)2? groups. The latter anions contain Bi24+ dumbbells (299 pm) and can be represented by the structured formula [Br2BiII(μ–Br)2BiIIBr2]2?. The multi‐center bonding within the Bi95+ cluster and the bent single‐bond in the Bi2 dumbbell can be visualized using the electron localization indicator (ELI‐D). 相似文献
14.
The title complex, [Ag4(C7H5O3)2(C8H6N2)4(C7H6O3)4], lies about an inversion centre and has a unique tetranuclear structure consisting of four AgI atoms bridged by four N atoms from two 1,8‐naphthyridine (napy) ligands to form an N:N′‐bridge and four O atoms from two salicylate (SA) ligands to form an O:O′‐bridge. The Ag atoms have distorted octahedral coordination geometry. The centrosymmetric Ag4 ring has Ag—Ag separations of 2.772 (2) and 3.127 (2) Å, and Ag—Ag—Ag angles of 107.70 (4) and 72.30 (4)°. All SA hydroxy groups take part in intramolecular O—H⋯O hydrogen bonding. In the crystal packing, the napy rings are oriented parallel and overlap one another. These π–π interactions, together with weak intermolecular C—H⋯O contacts, stabilize the crystal structure. 相似文献
15.
The first hydrothermal synthesis of an Al‐rich alluaudite‐type compound, namely disodium dimanganese aluminium tris(phosphate), which has been obtained at 1073 K and 0.1 GPa starting from the composition Na2Mn2Al(PO4)3, is reported. The crystal structure, which has been refined in the monoclinic C2/c space group, is identical to that of natural alluaudite. The structure consists of kinked chains of edge‐sharing M1 and M2 octahedra, which contain Mn2+ and Al3+ ions. The chains are stacked parallel to {101} and are connected in the b direction by the P1 and P2 tetrahedra. These interconnected chains produce channels parallel to c, which contain the large A1 and A2′ sites occupied by Na+ and Mn2+ ions. 相似文献
16.
Ming‐Xue Li Su‐Zhi Li 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):m525-m526
The title novel manganese(II) coordination polymer, {(C10H10N2)[MnCl4]}n, consists of a one‐dimensional infinite zigzag chain composed of polymeric [MnCl4]2− units in which each Mn2+ ion is located on a twofold rotation axis and is coordinated to two terminal Cl atoms and four bridging chloro ligands. Adjacent Mn2+ ions are linked by double Cl bridges arranged about a centre of inversion, thus forming anionic chains of distorted edge‐sharing octahedra. Rows of approximately parallel 4,4′‐bipyridinium cations run side‐by‐side with the MnCl4 chains. A two‐dimensional layer structure is constructed via hydrogen bonds and by additional π–π stacking interactions. 相似文献
17.
Mats Johnsson Helmuth Berger Richard Becker 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):i67-i69
Single crystals of tricobalt(II) tellurium(VI) hexaoxide, Co3TeO6, were synthesized via transport reactions using HCl as transporting agent. The compound crystallizes in the monoclinic system (space group C2/c). The Te atoms are positioned in 4b () and 8f positions, while the Co atoms are in 4e (2) and 8f positions. The structure consists of (100) oxygen layers packed in a hhchhc sequence, with TeVI in octahedral coordination and CoII in both octahedral and tetrahedral coordination. The structure contains face‐sharing CoO6 octahedra, as well as edge‐sharing CoO4 tetrahedra. Co3TeO6 is the first oxide that is isostructural with the β‐Li3MF6 family of compounds (M = Al, Cr, Ga, Ti and V). 相似文献
18.
Stefan T. Norberg Stefan Hoffmann Masahiro Yoshimura Nobuo Ishizawa 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(3):i35-i38
The compound Al6Ti2O13 (hexaaluminium dititanium tridecaoxide) has been synthesized using an arc‐imaging furnace, which allows fast cooling of melted oxides. The structure consists of infinite double chains of polyhedra running along the c axis. These chains are built up by four kinds of strongly distorted oxygen octahedra randomly occupied by either Ti or Al (point symmetry m or m2m), and by trigonal bipyramids exclusively occupied by Al (point symmetry m2m). 相似文献
19.
Allison M. Mills Daniel Brunling Michael Ruck 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):i70-i72
A redetermination of the structure of `La32.66Fe11S60' in the trigonal space group Rm led to the new formula La52Fe12S90 and to a redefinition of the structure type. In the structure, the Fe2+ cations occur in Fe2S9 dimers of face‐sharing octahedra (with 3m symmetry). The dimers are linked by face‐ and vertex‐sharing bi‐ and tricapped LaS6 trigonal prisms (with m symmetry) to form a three‐dimensional network containing two types of cuboctahedral cavities. The larger cavities remain empty, while the smaller ones accommodate alternative sites for disordered La3+ cations. 相似文献
20.
Li Zhang Xin‐An Chang Xue‐An Chen He‐Gui Zang Wei‐Qiang Xiao 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(9):i76-i78
The title compound represents a new structure type, in which distorted VO6 octahedra are bridged by iodate groups to form infinite two‐dimensional [VO2(IO3)2]− layers that are separated by octahedrally coordinated Li+ cations. 相似文献