On the Silicides EuIr2Si2 and Lu5Si3

2004 ◽  
Vol 59 (9) ◽  
pp. 969-974 ◽  
Author(s):  
Ute Ch. Rodewald ◽  
Birgit Heying ◽  
Dirk Johrendt ◽  
Rainer Pöttgen
Keyword(s):  
Single Crystal ◽  
Chemical Bonding ◽  
Induction Furnace ◽  
Three Dimensional ◽  
Single Crystal Diffraction ◽  
X Ray ◽  
Arc Melting ◽  
Sample Chamber ◽  
Trigonal Prismatic Coordination ◽  
Trigonal Prismatic

EuIr2Si2 was synthesized from the elements in a sealed tantalum tube in a water-cooled sample chamber of an induction furnace. Lu5Si3 was obtained by arc-melting of the elements. Both silicides were investigated by X-ray powder and single crystal diffraction: BaAl4 type, I4/mmm, a = 407.4(1), c = 1010.8(7) pm, wR2 = 0.0492, 134 F2 values, 9 variables for EuIr2Si2 and Mn5Si3 type, P63/mcm, a = 820.0(1), c = 614.2(1) pm, wR2 = 0.0511, 311 F2 values and 12 variables for Lu5Si3. The iridium and silicon atoms in EuIr2Si2 build up a three-dimensional [Ir2Si2] network with Ir-Si and Si-Si interactions. The europium atoms fill cages within the network. The metal-rich silicide Lu5Si3 contains columns of face-sharing, empty Lu6 octahedra and isolated silicon atoms in a distorted tri-capped trigonal prismatic coordination. Chemical bonding in these silicides is briefly discussed.

Ternary Thallides REMgTl (Re = Y, La – Nd, Sm, Gd – Tm, Lu)

2005 ◽  
Vol 60 (3) ◽  
pp. 265-270 ◽  
Author(s):  
Rainer Kraft ◽  
Rainer Pöttgen
Keyword(s):  
Rare Earth ◽  
Single Crystal ◽  
Rare Earth Metal ◽  
High Frequency ◽  
Three Dimensional ◽  
Earth Metal ◽  
X Ray ◽  
Sample Chamber ◽  
Trigonal Prismatic Coordination ◽  
Trigonal Prismatic

The rare earth metal (RE)-magnesium-thallides REMgTl (RE = Y, La-Nd, Sm, Gd-Tm, Lu) were prepared from the elements in sealed tantalum tubes in a water-cooled sample chamber of a high-frequency furnace. The thallides were characterized through their X-ray powder patterns. They crystallize with the hexagonal ZrNiAl type structure, space group P62m, with three formula units per cell. Four structures were refined from X-ray single crystal diffractometer data: α = 750.5(1), c = 459.85(8) pm, wR2 = 0.0491, 364 F2 values, 14 variables for YMgTl; α = 781.3(1), c = 477.84(8) pm, wR2 = 0.0640, BASF = 0.09(2), 425 F2 values, 15 variables for LaMgTl; α = 774.1(1), c = 473.75(7) pm, wR2 = 0.0405, 295 F2 values, 14 variables for CeMgTl; a = 760.3(1), c = 465.93(8) pm, wR2 = 0.0262, 287 F2 values, 14 variables for SmMgTl. The PrMgTl, NdMgTl, GdMgTl, TbMgTl, and DyMgTl structures have been analyzed using the Rietveld technique. The REMgTl structures contain two cystallographically independent thallium sites, both with tri-capped trigonal prismatic coordination: Tl1Mg3RE6 and Tl2Mg6RE3. Together the magnesium and thallium atoms form three-dimensional [MgTl] networks with Mg-Mg distances of 327 and Mg-Tl distances in the range 299 - 303 pm (data for CeMgTl)

New Indides Sc6Co2.18In0.82, Sc10Ni9In19.44 And Sccu4In – Synthesis, Structure, And Crystal Chemistry

2006 ◽  
Vol 61 (8) ◽  
pp. 942-948 ◽  
Author(s):  
Roman I. Zaremba ◽  
Yaroslav M. Kalychak ◽  
Ute Ch. Rodewald ◽  
Rainer Pöttgen ◽  
Vasyl’ I. Zaremba
Keyword(s):  
Three Dimensional ◽  
Cobalt Atom ◽  
Crystal Chemical ◽  
Single Crystal Diffraction ◽  
X Ray ◽  
Arc Melting ◽  
Dimensional Network ◽  
The Family ◽  
Trigonal Prismatic Coordination ◽  
Trigonal Prismatic

New indides Sc6Co2.18In0.82, Sc10Ni9In- and ScCu4In have been synthesized from the elements by arc-melting. Single crystals were grown by special annealing modes. The thee indides were investigated via X-ray powder and single crystal diffraction: Ho6Co2Ga type, Immm, a = 886.7(3), b = 878.0(2), c = 932.1(3) pm, wR2 = 0.0517, 711 F2 values, 35 variables for Sc6Co2.18In0.82, Ho10Ni9In20 type, P4/nmm, a = 1287.5(2), c = 884.7(1) pm, wR2 = 0.0642, 1221 F2 values, 63 variables for Sc10Ni9In19.44, and MgCu4Sn type, F ¯43m, a = 704.03(7) pm, wR2 = 0.0267, 101 F2 values, and 7 variables for ScCu4In. The scandium rich indide Sc6Co2.18In0.82 contains two Co2 dumb-bells at Co-Co distances of 221 and 230 pm. Each cobalt atom within these dumb-bells has a tricapped trigonal prismatic coordination. The In1 site has a distorted cube-like coordination by scandium and shows a mixed occupancy (36%) with cobalt. The In2 atoms have distorted icosahedral scandium coordination. As a consequence of the small size of the scandium atoms, the In4 site in Sc10Ni9In19.44 shows defects and was furthermore refined with a split model leading to a new distorted variant within the family of Ho10Ni9In20 compounds. ScCu4In is an ordered version of the cubic Laves phase with scandium and indium atoms in the CN16 voids of the copper substructure. The Cu-Cu distances within the three-dimensional network of corner-sharing tetrahedra are 248.6 and 249.2 pm. The crystal chemical peculiarities of these three indide structures are briefly discussed

Sr4Pt10In21 – the first representative of the Ho4Ni10In21 type with a divalent cation

2019 ◽  
Vol 74 (5) ◽  
pp. 443-449 ◽  
Author(s):  
Birgit Heying ◽  
Jutta Kösters ◽  
Rainer Pöttgen
Keyword(s):  
Single Crystal ◽  
Single Crystals ◽  
Glassy Carbon ◽  
Divalent Cation ◽  
High Frequency ◽  
Three Dimensional ◽  
X Ray ◽  
Trigonal Prismatic Coordination ◽  
Trigonal Prismatic

AbstractRod-shaped single crystals of Sr4Pt10In21were prepared from the elements in glassy-carbon crucibles in a high-frequency furnace. The structure of Sr4Pt10In21was refined from single-crystal X-ray diffractometer data:C2/m, Ho4Ni10Ga21type,a = 2322.62(7),b = 450.27(2),c = 1958.09(7) pm,β = 133.191(3)°,wR = 0.0464, 3200F2values and 107 variables. The three-dimensional [Pt10In21]δ−polyanionic network is stabilized through substantial Pt–In (269–313 pm Pt–In) and In–In (294–362 pm In–In) bonding. All platinum atoms have slightly distorted tri-capped trigonal prismatic coordination and the two crystallographically independent strontium atoms are located in penta-capped pentagonal prisms.

Ternary Indides REMgIn (RE = Y, La–Nd, Sm, Gd–Tm, Lu). Synthesis, Structure and Magnetic Properties

2004 ◽  
Vol 59 (5) ◽  
pp. 513-518 ◽  
Author(s):  
Rainer Kraft ◽  
Martin Valldor ◽  
Daniel Kurowski ◽  
Rolf-Dieter Hoffmann ◽  
Rainer Pöttgen
Keyword(s):  
Magnetic Moments ◽  
Three Dimensional ◽  
Temperature Dependent ◽  
Variable Parameters ◽  
Magnetic Susceptibility Data ◽  
X Ray ◽  
Susceptibility Data ◽  
Sample Chamber ◽  
Trigonal Prismatic Coordination ◽  
Trigonal Prismatic

Abstract The equiatomic rare earth-magnesium-indium compounds REMgIn (RE = Y, La-Nd, Sm, Gd- Tm, Lu) were prepared from the elements in sealed tantalum tubes inside a water-cooled sample chamber of an induction furnace. All compounds were characterized through their X-ray powder patterns. They crystallize with the hexagonal ZrNiAl type structure, space group P6̄̄2m, with three formula units per cell. The structure of SmMgIn was refined from X-ray single crystal diffractometer data: a = 761.3(2), c = 470.3(1) pm, wR2 = 0.0429, 380 F2 values and 14 variable parameters. The DyMgIn, HoMgIn, and TmMgIn structures have been analyzed using the Rietveld technique. The REMgIn structures contain two cystallographically independent indium sites, both with tri-capped trigonal prismatic coordination: In1Sm6Mg3 and In2Mg6Sm3. Together the magnesium and indium atoms form a three-dimensional [MgIn] network with Mg-Mg distances of 320 and Mg-In distances in the range 294 - 299 pm. Temperature dependent magnetic susceptibility data show Curie-Weiss behavior for DyMgIn, HoMgIn, and TmMgIn with experimental magnetic moments of 11.0(1) μB/Dy atom, 10.9(1) μB/Ho atom, and 7.5(1) μB/Tm atom. The three compounds order antiferromagnetically at TN = 22(2) K (DyMgIn), 12(1) K (HoMgIn), and 3(1) K (TmMgIn).

Ternary Gallides REMgGa (RE = Y, La, Pr, Nd, Sm–Tm, Lu) – Synthesis and Crystal Chemistry

2003 ◽  
Vol 58 (9) ◽  
pp. 827-831 ◽  
Author(s):  
Rainer Kraft ◽  
Martin Valldor ◽  
Rainer Pöttgen
Keyword(s):  
Rare Earth ◽  
Single Crystal ◽  
Cell Volume ◽  
Coordination Number ◽  
High Frequency ◽  
Three Dimensional ◽  
Gallium Atom ◽  
X Ray ◽  
Trigonal Prismatic Coordination ◽  
Trigonal Prismatic

The title compounds have been synthesized by reacting the elements in sealed niobium or tantalum tubes in a high-frequency furnace. They crystallize with the hexagonal ZrNiAl type structure, space group P62m. All gallides have been characterized through their X-ray powder diffractogram. The cell volume decreases from the lanthanum to the lutetium compound as expected from the lanthanoid contraction. The structures of LaMgGa, PrMgGa, NdMgGa, SmMgGa and TmMgGa have been refined from single crystal diffractometer data. The structures contain two crystallographically independent gallium sites which both have a trigonal prismatic coordination: Ga1 by six RE and Ga2 by six Mg atoms. These trigonal prisms are capped on the rectangular sites by three Mg (RE) atoms, leading to coordination number 9 for each gallium atom. Together, the gallium and magnesium atoms form a three-dimensional [MgGa] network in which the rare earth atoms fill distorted hexagonal channels. Within the network the magnesium atoms have short Mg-Mg contacts, i. e. 312 pm in SmMgGa. The Mg-Ga distances in that gallide range from 284 to 287 pm. Bonding in the network is thus governed by strong Mg-Ga and Mg-Mg bonding. EuMgGa crystallizes with the orthorhombic TiNiSi type: Pnma, a = 783.1(2), b = 472.8(1), c = 829.8(2) pm.

On the Solid Solutions Eu1–xPt2Inx, Gd1–xPt2Inx, and Tm1–xNi2Inx

2005 ◽  
Vol 60 (4) ◽  
pp. 393-397 ◽  
Author(s):  
Mar’yana Lukachuk ◽  
Yaroslav M. Kalychak ◽  
Tom Nilges ◽  
Rainer Pöttgen
Keyword(s):  
Rare Earth ◽  
Single Crystal ◽  
Coordination Number ◽  
Solid Solutions ◽  
Three Dimensional ◽  
Induction Melting ◽  
Single Crystal Diffraction ◽  
Laves Phases ◽  
X Ray ◽  
Arc Melting

The binary cubic Laves phases EuPt2, GdPt2, and TmNi2 form extended solid solutions Eu1−xPt2Inx, Gd1−xPt2Inx, and Tm1−xNi2Inx. Samples within these homogeneity ranges have been prepared from the elements by arc-melting on water-cooled copper chills or by induction melting in sealed tantalum tubes and subsequent annealing. The indides were characterized by X-ray powder and single crystal diffraction: MgCu2 type, Fd3̅m, a = 770.68(6) pm, wR2 = 0.0251, 67 F2 values, 6 variables for Eu0.94(3)Pt2In0.06(3), a = 769.16(6) pm, wR2 = 0.0244, 67 F2 values, 6 variables for Eu0.85(2)Pt2In0.15(2), a = 760.12(9) pm, wR2 = 0.0693, 65 F2 values, 6 variables for Gd0.79(5)Pt2In0.21(5), and MgCu4Sn type, F 4̅3m, a=700.27(6) pm, wR2=0.0368, BASF=0.13(2), 175 F2 values, 8 variables for TmNi4In. The platinum and nickel atoms build up three-dimensional networks of corner-sharing Pt4/2 and Ni4/2 tetrahedra. These networks leave larger voids of coordination number 16 that are filled with the rare earth (RE) and the indium atoms. While the thulium and indium atoms are ordered in TmNi4In, one observes mixed RE/In occupancies in Eu0.94(3)Pt2In0.06(3), Eu0.85(2)Pt2In0.15(2), and Gd0.79(5)Pt2In0.21(5)

Structure and Chemical Bonding of PrRuSn

2008 ◽  
Vol 63 (9) ◽  
pp. 1062-1068 ◽  
Author(s):  
Jan F. Riecken ◽  
Adel F. Al Alam ◽  
Bernard Chevalier ◽  
Samir F. Matar ◽  
Rainer Pöttgen
Keyword(s):  
Electronic Structure ◽  
Solid State ◽  
Chemical Bonding ◽  
Three Dimensional ◽  
Electronic Structure Calculations ◽  
Single Crystal Diffraction ◽  
X Ray ◽  
Arc Melting ◽  
Solid State Structures ◽  
Structure Calculations

The new ternary stannide PrRuSn was synthesized from the elements via arc-melting. PrRuSn is isopointal to the orthorhombic TiNiSi-type structure, space group Pnma. The structure was characterized by X-ray powder and single crystal diffraction: a = 761.7(2), b = 483.9(2) and c = 730.3(3) pm, wR2 = 0.0386, 433 F2 values, 20 variables. The ruthenium and tin atoms in PrRuSn build up a three-dimensional [RuSn] polyanionic network with Ru-Sn distances in the range 268 - 274 pm. The praseodymium atoms fill channels within the polyanion. They bind to the network via short Pr-Ru distances of 301 and 302 pm. Electronic structure calculations on PrRuSn and isopointal PrPdSn underline these features and reveal strong T-Sn (T = Ru, Pd) interactions within both solid state structures.

Münzmetall-Lanthanid-Chalkogenide: I. Kupfer(I)-Lanthanid(III)-Sulfide der Zusammensetzung CuMS2 (M = La – Nd, Sm, Gd, Tb) im monoklinen A-Typ / Coinage Metal Lanthanide Chalcogenides: I. Copper(I) Lanthanide(III) Sulfides of the Composition CuMS2 (M = La – Nd, Sm, Gd, Tb) with the Monoclinic A-Type Structure

2005 ◽  
Vol 60 (9) ◽  
pp. 917-923 ◽  
Author(s):  
Sabine Strobel ◽  
Petra Lauxmann ◽  
Thomas Schleid
Keyword(s):  
Three Dimensional ◽  
Molar Ratio ◽  
Single Crystal Diffraction ◽  
Coinage Metal ◽  
X Ray ◽  
Cross Linkage ◽  
Elemental Copper ◽  
Trigonal Prismatic Coordination ◽  
Lanthanide Metal ◽  
Trigonal Prismatic

Single crystals of the ternary copper(I) lanthanide(III) sulfides with the composition CuMS2 (M = La - Nd, Sm, Gd, Tb) form within seven days at 800 °C by oxidation of elemental copper and lanthanide metal with sulfur (molar ratio: 1 : 1 : 2) in evacuated silica tubes when equimolar quantitites of CsCl are present as flux. The crystal structures (monoclinic, P21/c, Z = 4; e. g. CuLaS2: a = 662.04(6), b = 730.89(6), c = 692.73(6) pm, β = 98.741(7)° and CuTbS2: a = 639.13(6), b = 700.02(6), c = 670.46(6) pm, β = 98.214(7)°) exhibit corrugated layers 2∞ {[Cu(S1)3/3(S2)1/1]3−} parallel to (100) which consist of vertex-linked pairs of [CuS4]7− tetrahedra sharing a common edge ([Cu2S6]10−). Their three-dimensional cross-linkage is achieved by M3+ cations in monocapped trigonal prismatic coordination of seven S2− anions. The metal sulfur distances in the [CuS4]7− units cover with 230 - 233 (Cu-S2) and 231 - 238 (Cu-S1) as well as 241 - 248 (Cu-S1’) and 245 - 251 pm (Cu-S1”) a rather broad range, whereas those within the [MS7]11− polyhedra lie relatively closer together (M-S: 276 - 307 pm). The present work is the first comprehensive account of the knowledge acquired from X-ray single-crystal diffraction data for the whole isotypic series CuMS2 (M = La - Nd, Sm, Gd, Tb).

Ternary Antimonides RE4T7Sb6 (RE=Gd–Lu; T =Ru, Rh) with Cubic U4Re7Si6-type Structure

2013 ◽  
Vol 68 (9) ◽  
pp. 971-978 ◽  
Author(s):  
Inga Schellenberg ◽  
Ute Ch. Rodewald ◽  
Christian Schwickert ◽  
Matthias Eul ◽  
Rainer Pöttgen
Keyword(s):  
Magnetic Susceptibility ◽  
Single Crystal ◽  
Magnetic Moment ◽  
Induction Furnace ◽  
X Ray Diffraction ◽  
Temperature Dependent ◽  
X Ray ◽  
Antiferromagnetic Ordering ◽  
Arc Melting ◽  
Intermediate Valent

The ternary antimonides RE4T7Sb6 (RE=Gd-Lu; T =Ru, Rh) have been synthesized from the elements by arc-melting and subsequent annealing in an induction furnace. The samples have been characterized by powder X-ray diffraction. Four structures were refined on the basis of single-crystal X-ray diffractometer data: U4Re7Si6 type, space group Im3m with a=862.9(2) pm, wR2=0.0296, 163 F2 values for Er4Ru7Sb6; a=864.1(1) pm, wR2=0.1423, 153 F2 values for Yb4Ru7Sb6; a=872.0(2) pm, wR2=0.0427, 172 F2 values for Tb4Rh7Sb6; and a=868.0(2) pm, wR2=0.0529, 154 F2 values for Er4Rh7Sb6, with 10 variables per refinement. The structures have T1@Sb6 octahedra and slightly distorted RE@T26Sb6 cuboctahedra as building units. The distorted cuboctahedra are condensed via all trapezoidal faces, and this network leaves octahedral voids for the T1 atoms. The ruthenium-based series of compounds was studied by temperature-dependent magnetic susceptibility measurements. Lu4Ru7Sb6 is Pauli-paramagnetic. The antimonides RE4Ru7Sb6 with RE=Dy, Ho, Er, and Tm show Curie-Weiss paramagnetism. Antiferromagnetic ordering occurs at 10.0(5), 5.1(5) and 4.0(5) K for Dy4Ru7Sb6, Ho4Ru7Sb6 and Er4Ru7Sb6, respectively, while Tm4Ru7Sb6 remains paramagnetic. Yb4Ru7Sb6 is an intermediate-valent compound with a reduced magnetic moment of 3.71(1) μB per Yb as compared to 4.54 μB for a free Yb3+ ion

Structure Refinement of CePtSi and Hydrogenation Behavior of CePdGe, CePtSi and CePtGe

2007 ◽  
Vol 62 (4) ◽  
pp. 613-616 ◽  
Author(s):  
Wilfried Hermes ◽  
Ute Ch. Rodewald ◽  
Bernard Chevalier ◽  
Rainer Pötgena
Keyword(s):  
Single Crystal ◽  
Diffraction Data ◽  
Structure Refinement ◽  
Three Dimensional ◽  
Subsequent Annealing ◽  
X Ray Diffraction ◽  
X Ray ◽  
Hydride Formation ◽  
Arc Melting ◽  
Cerium Compounds

The intermetallic cerium compounds CePdGe, CePtSi, and CePtGe were synthesized from the elements by arc-melting and subsequent annealing. The structure of CePtSi was refined from single crystal X-ray diffraction data: LaPtSi-type (ordered α-ThSi2 version), 141md, a = 419.6(1) and c = 1450.0(5) pm, wR2 = 0.0490, 362 F2 values and 16 variables. The Pt-Si distances within the three-dimensional [PtSi] network are 242 pm, indicating strong Pt-Si interactions. Hydrogenation of the three compounds at 623 K and 4 MPa H2 gave no indication for hydride formation.

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