Cs3NdSi8O19 und Cs6Nd2Si21O48: Zwei cäsiumhaltige Oxosilicate des Neodyms im Vergleich / Cs3NdSi8O19 and Cs6Nd2Si21O48: Two Caesium-containing Oxosilicates of Neodymium in Comparison

2009 ◽  
Vol 64 (11-12) ◽  
pp. 1329-1338 ◽  
Author(s):  
Marion C. Schäfer ◽  
Thomas Schleid
Keyword(s):  
Solid State ◽  
Coordination Sphere ◽  
Quaternary System ◽  
Three Dimensional ◽  
Single Layer ◽  
Solid State Reactions ◽  
Double Layers ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
First Case

In the quaternary system Cs / Nd / Si / O, two new representatives, the phyllo-oxosilicate Cs3NdSi8O19 and the tecto-oxosilicate Cs6Nd2Si21O48, were synthesized by CsF-flux-supported solid-state reactions between Nd2O3 and SiO2. The first one, Cs3NdSi8O19 (orthorhombic, Cmcm (no. 63), a = 705.74(5), b = 2712.85(19), c = 1163.72(8) pm, Z = 4), is not isotypic to the related scandium compound Cs3ScSi8O19. The [SiO4]4− tetrahedra (d(Si4+ -O2−) = 156 -163 pm) in the structure of Cs3NdSi8O19 are connected via common corners to form corrugated, loop-branched double layers containing four- and eight-membered rings in the (010) plane and eight-membered rings along [001]. Each of the eight-membered ellipses emerging along [100] is additionally loopbranched by two four-membered chains. The oxosilicate double layers are cross-linked by vertexsharing via otherwise isolated [NdO6]9− octahedra (d(Nd3+-O2-)= 232 - 234 pm) to build up a three-dimensional framework. Also in between the oxosilicate double layers, the (Cs1)+ cations are located on the 8 f site. Each of the octagonal channels along [001] hosts one (Cs3)+ and two (Cs2)+ cations, which both reside at only partially occupied sites (8g and 8 f , respectively) and disorder, because otherwise too short Cs+ ・ ・ ・ Cs+ distances would occur. The second compound, Cs6Nd2Si21O48, crystallizes also in an orthorhombic space group (Pmmn (no. 59), a = 2189.24(15), b = 731.92(5), c = 1593.61(11) pm, Z = 2). Starting from a loop-branched single layer containing five- and eight-membered rings, a three-dimensional framework of vertex-shared [SiO4]4− tetrahedra (d(Si4+-O2−) = 149 - 164 pm) built up, in which the Si-O distances range from 149 to 164 pm within a broad range. In certain cavities, one kind of Nd3+, but four kinds of Cs+ cations (here, all sites with full occupation) are embedded. Also surrounded by only six O2− anions just like in the first case, the Nd3+ cations (d(Nd3+-O2−) = 233 - 237 pm) exhibit an unusually small, but not unknown coordination sphere for this relatively large lanthanoid(III) cation

Syntheses and Crystal Structures of the Solid Solution Sr4OBr2.89(2)Cl3.11(2) and the Elusive Ba2OBr2

2011 ◽  
Vol 66 (10) ◽  
pp. 1000-1004
Author(s):  
Olaf Reckeweg ◽  
Francis J. DiSalvo
Keyword(s):  
Solid Solution ◽  
Solid State ◽  
Single Crystals ◽  
Crystal Structures ◽  
Solid State Reactions ◽  
Molar Ratio ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Cell Parameters

Transparent and colorless single crystals of the compounds Sr4OBr2.89(2)Cl3.11(2) and Ba2OBr2 were obtained by solid-state reactions of SrCl2, SrBr2 and SrO (3 : 3 : 2 molar ratio) or by using an excess of BaO together with BaBr2 and Ba as a flux with the molar ratio 3 : 2 : 2, respectively. Ba2OBr2 crystals are isopointal to K2ZnO2 adopting the orthorhombic space group Ibam (no. 72, Z = 4) with the cell parameters a = 7247.44(10), b = 1297.76(20) and c = 657.43(10) pm. Sr4OBr2.89(2)Cl3.11(2) is isotypic to Ba4OCl6 (or isopointal to K6ZnO4) and crystallizes in the hexagonal space group P63mc (no. 186, Z = 2) with the cell parameters a = 982.20(4) and c = 750.41(7) pm.

Three of a kind? The non-isotypic triple CsCe[P2Se6], CsSm[P2Se6] and CsEr[P2Se6]

2020 ◽  
Vol 75 (11) ◽  
pp. 959-967
Author(s):  
Beate M. Schulz ◽  
Pia L. Lange ◽  
Thomas Schleid
Keyword(s):  
Three Dimensional ◽  
Structure Type ◽  
Fused Silica ◽  
Double Layers ◽  
Monoclinic Space Group ◽  
Orthorhombic Space Group ◽  
Coordination Polyhedra ◽  
Space Group ◽  
New Compounds ◽  
Dimensional Crystal

AbstractThree new compounds of the CsLn[P2Se6] family with Ln = Ce, Sm and Er have been prepared and structurally characterized. Plate-shaped, amber-colored single crystals of these cesium lanthanoid(III) hexaselenodiphosphates(IV) were obtained by heating stoichiometric amounts of Ln, P and Se with CsCl as a reactive flux in fused silica ampoules at 800 °C for four days. CsCe[P2Se6] crystallizes monoclinically in space group P21/c with a = 1297.86(9), b = 776.24(5), c = 1198.43(8) pm, β = 106.589(3)° and Z = 4. The structure is isotypic with that of KLa[P2Se6], the Cs+ cations being ten-fold coordinated by selenium atoms to form double layers of condensed [CsSe10]19− polyhedra. Ce3+ resides in a nine-fold coordination and the [CeSe9]15− polyhedra also form double layers parallel to (100). CsSm[P2Se6] crystallizes in the orthorhombic space group P212121 with a = 688.67(5), b = 754.48(5), c = 2215.21(15) pm and Z = 4. Its structure is isotypic with that of KY[P2Se6] and the Cs+ cations reside in an eleven-fold coordination of selenium atoms constituting monolayers of condensed [CsSe11]21− polyhedra within the (001) plane. Sm3+ exhibits an eight-fold coordination sphere of selenium atoms and the [SmSe8]13− polyhedra are also linked to build up parallel monolayers. CsEr[P2Se6] crystallizes in the monoclinic space group P21/c again, but forms its own structure type with the lattice parameters a = 753.81(5), b = 1281.92(9), c = 1276.47(9) pm and β = 106.898(3)° and Z = 4. The Cs+ cations are twelve-fold coordinated by selenium atoms and erects a three-dimensional framework of condensed [CsSe12]23− polyhedra. The Er3+ cations show seven selenium atoms as neighbors and the [ErSe7]11− polyhedra are edge-connected to form discrete dimers [Er2Se12]18−. All three structures have similar ethane-like [P2Se6]4– anions in staggered conformation with bond lengths of 219–226 pm for d(P1–P2) and 213–222 pm for d(P–Se), which connect the Cs+ and Ln3+ coordination polyhedra into three-dimensional crystal structures.

Aluminat-Pentelate(III) AI2M2Al2O7 und AIIM2Al2O7 (AI = Rb, Cs; AII = Ba; M = As, Sb) / Aluminate-Pentelates(III) AI2M2Al2O7 and AIIM2Al2O7 (AI = Rb, Cs; AII = Ba; M = As, Sb)

2005 ◽  
Vol 60 (4) ◽  
pp. 419-425 ◽  
Author(s):  
Franziska Emmerling ◽  
Christian Reinhard ◽  
Sabine Zimper ◽  
Caroline Röhr
Keyword(s):  
Three Dimensional ◽  
Structure Type ◽  
Double Layers ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Electron Pairs ◽  
Space Group ◽  
Alkaline Earth Elements ◽  
Dimensional Network ◽  
Vertex Sharing

The crystal structures of the title compounds, which were synthesized at temperatures between 500 and 850 °C via reaction of Al2O3, M2O3 and M2O5 (M = As, Sb) with the respective elemental alkaline and alkaline earth elements, have been determined by single crystal X-ray diffraction. The two isotypic compounds AI2Sb2Al2O7(K2Sb2Al2O7 structure type, AI=Rb/Cs; trigonal, space group P3̄̅m1, a = 566.04(10)/570.23(8), c = 836.8(2)/888.0(2) pm, Z = 1, R1 = 0.0511/0.0461) contain double layers consisting of vertex-sharing tetrahedra [Al2O7], which are connected to ψ- tetrahedra SbO3 via common vertices. These double layers are stacked in identical orientation (AA sequence), while in the barium compound BaSb2Al2O7 (trigonal, space group R32, a = 545.5(7), c = 2377.3(12) pm, Z = 3, R1 = 0.0427) similar layers [Sb2Al2O7] are stacked in an ABC sequence. In the arsenic(III) aluminate Cs2As2Al2O7 (orthorhombic, space group Imm2, a = 546.9(3), b = 1003.81(16), c = 888.5(3) pm, Z = 2, R1 = 0.0313) the Al2O7 moieties are similarly connected via [AsO3] units, in this case not only forming layers, but a three-dimensional network. In the three antimonates, the A cations are not coordinated by the lone electron pairs of M(III), which are oriented towards the interior of the sheets, whereas in the arsenate the lone electron pairs play a significant role in the coordination of one of the two crystallographically independent Cs sites

scholarly journals Crystal structure of CsCrAs2O7, a new member of the diarsenate family

2015 ◽  
Vol 71 (6) ◽  
pp. 636-639 ◽  
Author(s):  
Mohamad Alem Bouhassine ◽  
Habib Boughzala
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Alkali Metal ◽  
Three Dimensional ◽  
Solid State Reactions ◽  
Type I ◽  
Space Group ◽  
P Type ◽  
Anionic Framework

Caesium chromium(III) diarsenate(V), CsCrAs2O7, was prepared by solid-state reactions. The title structure consists of isolated CrO6octahedra and As2O7diarsenate groups, sharing corners to build up a three-dimensional [CrAs2O7]−anionic framework. In this framework, channels extending parallel to [001] are present in which the ten-coordinate Cs+ions reside. CsCrAs2O7is isotypic with the monoclinicAIMIIIX2O7(AI= alkali metal;MIII= Al, Cr, Fe;X= As, P) type I family of compounds crystallizing in the space groupP21/c.

scholarly journals Crystal structure of calcium dinickel(II) iron(III) tris(orthophosphate): CaNi2Fe(PO4)3

2017 ◽  
Vol 73 (6) ◽  
pp. 893-895
Author(s):  
Said Ouaatta ◽  
Abderrazzak Assani ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Title Compound ◽  
Linear Chain ◽  
Three Dimensional ◽  
Solid State Reactions ◽  
Common Edge ◽  
Space Group ◽  
Infinite Linear

The title compound, CaNi2Fe(PO4)3, was synthesized by solid-state reactions. Its structure is closely related to that of α-CrPO4in the space groupImma. Except for two O atoms in general positions, all atoms are located in special positions. The three-dimensional framework is built up from two types of sheets extending parallel to (100). The first sheet is made up from two edge-sharing [NiO6] octahedra, leading to the formation of [Ni2O10] double octahedra that are connected to two PO4tetrahedra through a common edge and corners. The second sheet results from rows of corner-sharing [FeO6] octahedra and PO4tetrahedra forming an infinite linear chain. These layers are linked together through common corners of PO4tetrahedra and [FeO6] octahedra, resulting in an open three-dimensional framework that delimits two types of channels parallel to [100] and [010] in which the eightfold-coordinated CaIIcations are located.

Novel Thioborates of Cesium: Cs3BS3 and Li2CsBS3

2002 ◽  
Vol 57 (12) ◽  
pp. 1433-1438 ◽  
Author(s):  
J. Kuchinke ◽  
J. Küper ◽  
B. Krebs
Keyword(s):  
Solid State ◽  
Metal Sulfide ◽  
Solid State Reactions ◽  
Monoclinic Space Group ◽  
Amorphous Boron ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
New Compounds

The new compounds Li2CsBS3 and Cs3BS3 were prepared from the metal sulfide(s), amorphous boron and sulfur in solid state reactions at high temperatures. The crystal structures were determined by single crystal X-ray diffraction experiments. The purity of the products was proved by powder diffraction. Li2CsBS3 crystallizes in the orthorhombic space group Pnma (no. 62) with a = 10.004(2), b = 8.000(2), c = 8.082(2) Å , and Z = 4, while Cs3BS3 is isotypic to Rb3BS3 in the monoclinic space group P21/c (no. 14) with a = 10.397(1), b = 6.660(1), c = 13.618(1) Å , β = 101.31(1) °, and Z = 4. Both compounds contain isolated [BS3]3− anions with boron in a trigonal-planar coordination.

Alkaline Earth Metal Oxyhalides Revisited – Syntheses and Crystal Structures of Sr4OBr6, Ba4OBr6 and Ba2OI2

2008 ◽  
Vol 63 (5) ◽  
pp. 519-524 ◽  
Author(s):  
Olaf Reckeweg ◽  
Francis J. DiSalvo
Keyword(s):  
Solid State ◽  
Single Crystals ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Ternary Systems ◽  
Solid State Reactions ◽  
Alkaline Earth Metal ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Cell Parameters

Single crystals of the compounds Ca4OCl6, Sr4OBr6, Ba4OBr6, and Ba2OI2 were obtained by solid-state reactions. The crystals of Ba2OI2 are transparent and colorless and isopointal to K2ZnO2 adopting the orthorhombic space group Ibam (no. 72, Z = 4) with the cell parameters a = 747.20(9), b = 1392.02(18), and c = 678.12(9) pm. Sr4OBr6 and Ba4OBr6 are isotypic to Ba4OCl6 (or isopointal to K6ZnO4) and crystallize in the hexagonal space group P63mc (no. 186, Z = 2) exhibiting the cell parameters a = 982.20(4) and c = 750.41(7) pm for Sr4OBr6 and a = 1030.10(2) and c = 785.92(4) pm for Ba4OBr6. In the ternary systems Ca-O-X (X = Cl, Br or I) the only compound found other than the starting materials was the already known Ca4OCl6 which is also isotypic to Ba4OCl6 crystallizing in the hexagonal space group P63mc (no. 186, Z = 2) with the cell parameters a = 903.30(6) and c = 683.27(8) pm.

Zum Mineral Johillerit verwandte Oxovanadate RbCd4V3O12 und TlCd4V3O12 / Oxovanadates RbCd4V3O12 and TlCd4V3 O12 Related to the Mineral Johillerite

1997 ◽  
Vol 52 (5) ◽  
pp. 663-668 ◽  
Author(s):  
B. Mertens ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Single Crystals ◽  
Solid State Reactions ◽  
Space Group ◽  
Related Compounds

Abstract Single crystals of I RbCd4V3O12 and TlCd4V3O12 II have been prepared by solid state reactions in closed iron tubes. The compounds crystallize closely related to the Johillerite structure in the space group C62h- C2/c with I: a = 13.058(3); b - 13.528(3), c = 7 .0 6 0 (2 )Å , β = 114.88(2)°; II: a = 12.999(6), b = 13.527(7), c = 7.055(3) Å , β = 114.88(4)°, Z = 4. Special features are the loss of Cu2+ in order to gain an additional Cd2+ position. The crystal structure is discussed with respect to related compounds of the Johillerite type.

Über ein cadmiumreiches Orthovanadat Ba2,5Cd11(VO4)9 mit Cadmium in oktaedrischer und tetragonal pyramidaler Koordination / On a Cadmium Rich Orthovanadate Ba2,5Cd11(VO4)9 Showing Cadmium in Octahedral and Square Pyramidal Coordination

1997 ◽  
Vol 52 (8) ◽  
pp. 989-993 ◽  
Author(s):  
B Mertens ◽  
Hk Müller-Buschbaum
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Single Crystals ◽  
Three Dimensional ◽  
Lattice Energy ◽  
Solid State Reactions ◽  
Orthorhombic Symmetry ◽  
Group D ◽  
Symmetry Space ◽  
Symmetry Space Group

Single crystals of Ba2,5Cd11(VO4)9 have been prepared by solid state reactions. The new compound crystallizes with orthorhombic symmetry, space group D142h-Pbcn, a = 20.842(6), b = 13.471(3), c = 11.838(9) Å, Z = 4. The crystal structure is characterized and dominated by CdO6 octahedra and unusual square pyramids of O2- around Cd2+ forming a three-dimensional [Cd11O36] network. The interstices are occupied by V5+ and Ba2+ ions. This results in VO4 tetrahedra and irregular BaO10 polyhedra isolated from each other. Occupation of the barium positions is deficient in agreement with the valence state V5+ and calculations of the coulomb terms of lattice energy.

Synthesis, Structure and Property of a Metal sulfochloride–Hg3S2CI2

2009 ◽  
Vol 2009 (7) ◽  
pp. 430-432 ◽  
Author(s):  
Hua-Long Chen ◽  
Han-Mao Kuang ◽  
Wen-Tong Chen ◽  
Shao-Ming Ying ◽  
Jiu-Hui Liu
Keyword(s):  
Solid State ◽  
Optical Absorption ◽  
Absorption Spectra ◽  
Solid State Reactions ◽  
Optical Absorption Spectra ◽  
Framework Structure ◽  
Space Group ◽  
Structure And Property ◽  
Microscope Analysis ◽  
A Cell

The compound [Hg3S2CI2] has been obtained by solid-state reactions. It crystallises in the acentric space group R3 of the rhombohedral system with six formula units in a cell [ a = b = 12.654(3), c = 7.753(4) Å, V = 1075.1(6) Å3, CI2Hg3S2, M r = 736.79, D c = 6.828 g cm−3, S = 0.987, μ(Mo Kα) = 65.308 mm−1, F(000) = 1836, R = 0.0631 and wR = 0.1443] and is characterised by a 3-D framework structure, which is composed of interconnected right-handed helices formed by tetrahedral Hg atoms. Optical absorption spectra reveal the presence of an optical bandgap of 2.51 eV and the composition Hg3S2CI2 is confirmed by semiquantitative microscope analysis.

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