SrPdGa3 type gallides RERhGa3 with RE=La, Ce and Pr

2020 ◽  
Vol 235 (3) ◽  
pp. 53-57
Author(s):  
Stefan Seidel ◽  
Rainer Pöttgen
Keyword(s):  
Rare Earth ◽  
Single Crystal ◽  
Diffraction Data ◽  
Three Dimensional ◽  
Subsequent Annealing ◽  
Crystal Chemical ◽  
X Ray Diffraction ◽  
Muffle Furnace ◽  
X Ray ◽  
Arc Melting

AbstractThe ternary rare earth gallides RERhGa3 with RE = La, Ce and Pr were synthesized by arc-melting and subsequent annealing in a muffle furnace. The gallides were characterized through Guinier powder patterns and the structure of LaRhGa3 was refined from single-crystal X-ray diffraction data: SrPdGa3 type, Cmcm, a = 639.2(2), b = 1030.9(2), c = 589.3(2) pm, wR2 = 0.0964, 416 F2 values and 19 variables. The rhodium and gallium atoms build up a three-dimensional polyanionic network [RhGa3] which is stabilized through Rh–Ga (245–251 pm) and Ga–Ga (267–295 pm) bonds and filled by the lanthanum atoms. The crystal chemical relationship with the structures of LaRh2Ge2 (ThCr2Si2 type), LaRh2Ga2 (CaBe2Ge2 type) and LaRhGe3 (BaNiSn3 type) is discussed.

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.

scholarly journals Intermetallic REPtZn Compounds with TiNiSi-type Structure

2011 ◽  
Vol 66 (7) ◽  
pp. 671-676 ◽  
Author(s):  
Trinath Mishra ◽  
Rainer Pöttgen
Keyword(s):  
Rare Earth ◽  
Single Crystal ◽  
Coordination Number ◽  
High Frequency ◽  
Three Dimensional ◽  
Type Structure ◽  
Rare Earth Compounds ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
X Ray

The equiatomic rare earth compounds REPtZn (RE = Y, Pr, Nd, Gd-Tm) were synthesized from the elements in sealed tantalum tubes by high-frequency melting at 1500 K followed by annealing at 1120 K and quenching. The samples were characterized by powder X-ray diffraction. The structures of four crystals were refined from single-crystal diffractometer data: TiNiSi type, Pnma, a = 707.1(1), b = 430.0(1), c = 812.4(1) pm, wR2 = 0.066, 602 F2, 21 variables for PrPt1.056Zn0.944; a = 695.2(1), b = 419.9(1), c = 804.8(1) pm, wR2 = 0.041, 522 F2, 21 variables for GdPt0.941Zn1.059; a = 688.2(1), b = 408.1(1), c = 812.5(1) pm, wR2 = 0.041, 497 F2, 22 variables for HoPt1.055Zn0.945; a = 686.9(1), b = 407.8(1), c = 810.4(1) pm, wR2 = 0.061, 779 F2, 20 variables for ErPtZn. The single-crystal data indicate small homogeneity ranges REPt1±xZn1±x. The platinum and zinc atoms build up three-dimensional [PtZn] networks (265 - 269 pm Pt-Zn in ErPtZn) in which the erbium atoms fill cages with coordination number 16 (6 Pt + 6 Zn + 4 Er). Bonding of the erbium atoms to the [PtZn] network proceeds via shorter RE-Pt distances, i. e. 288 - 293 pm in ErPtZn.

Single-crystal Data of Ternary Germanides RE2Nb3Ge4 (RE = Sc, Y, Gd–Er, Lu) and Sc2Ta3Ge4 with Ordered Sm5Ge4-type Structure

2013 ◽  
Vol 68 (5-6) ◽  
pp. 625-634 ◽  
Author(s):  
Bastian Reker ◽  
Samir F. Matar ◽  
Ute Ch. Rodewald ◽  
Rolf-Dieter Hoffmann ◽  
Rainer Pöttgen
Keyword(s):  
Rare Earth ◽  
Single Crystal ◽  
Coordination Number ◽  
Electronic Structure Calculations ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
X Ray ◽  
Arc Melting ◽  
Structure Calculations ◽  
The Rare Earth

Small single crystals of the Sm5Ge4-type (space group Pnma) germanides RE2Nb3Ge4 (RE = Sc, Y, Gd-Er, Lu) and Sc2Ta3Ge4 were synthesized by arc-melting of the respective elements. The samples were characterized by powder and single-crystal X-ray diffraction. In all structures, except for Sc2.04Nb2.96Ge4 and Sc2.19Ta2.81Ge4, the rare earth and niobium atoms show full ordering on the three crystallographically independent samarium sites of the Sm5Ge4 type. Two sites with coordination number 6 are occupied by niobium, while the slightly larger site with coordination number 7 is filled with the rare earth element. Small homogeneity ranges with RE=Nb and RE=Ta mixing can be expected for all compounds. The ordered substitution of two rare earth sites by niobium or tantalum has drastic effects on the coordination number and chemical bonding. This was studied for the pair Y5Ge4/Y2Nb3Ge4. Electronic structure calculations show larger charge transfer from yttrium to germanium for Y5Ge4, contrary to Y2Nb3Ge4 which shows stronger covalent bonding due to the presence of Nb replacing Y at two sites

A complex pseudo-decagonal quasicrystal approximant, Al37(Co,Ni)15.5, solved by rotation electron diffraction

2014 ◽  
Vol 47 (1) ◽  
pp. 215-221 ◽  
Author(s):  
Devinder Singh ◽  
Yifeng Yun ◽  
Wei Wan ◽  
Benjamin Grushko ◽  
Xiaodong Zou ◽  
...  
Keyword(s):  
Electron Diffraction ◽  
Single Crystal ◽  
Diffraction Data ◽  
Three Dimensional ◽  
Basic Structure ◽  
Electron Diffraction Data ◽  
Dimensional Electron ◽  
X Ray Diffraction ◽  
X Ray ◽  
Diffraction Patterns

Electron diffraction is a complementary technique to single-crystal X-ray diffraction and powder X-ray diffraction for structure solution of unknown crystals. Crystals too small to be studied by single-crystal X-ray diffraction or too complex to be solved by powder X-ray diffraction can be studied by electron diffraction. The main drawbacks of electron diffraction have been the difficulties in collecting complete three-dimensional electron diffraction data by conventional electron diffraction methods and the very time-consuming data collection. In addition, the intensities of electron diffraction suffer from dynamical scattering. Recently, a new electron diffraction method, rotation electron diffraction (RED), was developed, which can overcome the drawbacks and reduce dynamical effects. A complete three-dimensional electron diffraction data set can be collected from a sub-micrometre-sized single crystal in less than 2 h. Here the RED method is applied forab initiostructure determination of an unknown complex intermetallic phase, the pseudo-decagonal (PD) quasicrystal approximant Al37.0(Co,Ni)15.5, denoted as PD2. RED shows that the crystal is F-centered, witha= 46.4,b= 64.6,c= 8.2 Å. However, as with other approximants in the PD series, the reflections with oddlindices are much weaker than those withleven, so it was decided to first solve the PD2 structure in the smaller, primitive unit cell. The basic structure of PD2 with unit-cell parametersa= 23.2,b= 32.3,c= 4.1 Å and space groupPnmmhas been solved in the present study. The structure withc= 8.2 Å will be taken up in the near future. The basic structure contains 55 unique atoms (17 Co/Ni and 38 Al) and is one of the most complex structures solved by electron diffraction. PD2 is built of characteristic 2 nm wheel clusters with fivefold rotational symmetry, which agrees with results from high-resolution electron microscopy images. Simulated electron diffraction patterns for the structure model are in good agreement with the experimental electron diffraction patterns obtained by RED.

Transition Metal-centered Trigonal Prisms as BuildingUnits in RE14T3In3 (RE = Y, Ho, Er, Tm, Lu; T = Pd, Ir, Pt) and Y4IrIn

2007 ◽  
Vol 62 (12) ◽  
pp. 1574-1580 ◽  
Author(s):  
Roman Zaremba ◽  
Ute Ch. Rodewald ◽  
Rainer Pöttgen
Keyword(s):  
Rare Earth ◽  
Transition Metal ◽  
Three Dimensional ◽  
Crystal Chemical ◽  
Crystal Data ◽  
Space Group ◽  
X Ray ◽  
Type Space ◽  
Arc Melting ◽  
Trigonal Prisms

The indides RE14T3In3 (RE = Y, Ho, Er, Tm, Lu; T = Pd, Ir, Pt) and Y4IrIn were synthesized from the elements by arc-melting and subsequent annealing for crystal growth. Their structures were characterized on the basis of X-ray powder and single crystal data: Lu14Co3In3-type, space group P42/nmc, a = 970.2(1), c = 2340.7(5) pm for Y13.95Pd3In3.05, a = 959.7(1), c = 2309.0(5) pm for Ho14Pd2.95In3, a = 955.5(1), c = 2305.1(5) pm for Er14Pd3In3, a = 950.9(1), c = 2291.6(5) pm for Tm13.90Pd3In3.10, a = 944.4(1), c = 2275.5(5) pm for Lu13.93Pd3In3.07, a = 962.9(1), c = 2343.0(5) pm for Y13.86Ir2.97In3.02, a = 967.6(1), c = 2347.8(5) pm for Y13.92Pt3.05In2.91, and Gd4RhIn-type, space group F 4̅3m, a = 1368.6(2) pm for Y4IrIn. The main structural motifs are transition metal-centered trigonal prisms of the rare earth elements which are condensed to twodimensional networks in the RE14T3In3 indides and to a three-dimensional one in Y4IrIn. The indium atoms in both structure types show segregation in the metal-rich matrix, i. e. In2 dumbbells in the RE14T3In3 indides (309 pm In2-In2 in Y13.86Ir2.97In3.02) and In4 tetrahedra (322 pm In-In) in Y4IrIn. The crystal chemical peculiarities of both structure types are discussed.

Two series of rare earth metal-rich ternary aluminium transition metallides – RE6Co2Al (RE=Sc, Y, Nd, Sm, Gd–Tm, Lu) and RE6Ni2.25Al0.75 (RE=Y, Gd–Tm, Lu)

2018 ◽  
Vol 73 (11) ◽  
pp. 927-942 ◽  
Author(s):  
Frank Stegemann ◽  
Oliver Janka
Keyword(s):  
Rare Earth ◽  
Single Crystal ◽  
Rare Earth Metal ◽  
Magnetic Measurements ◽  
Earth Metal ◽  
Nominal Composition ◽  
X Ray Diffraction ◽  
X Ray ◽  
Antiferromagnetic Ordering ◽  
Arc Melting

AbstractThe rare earth metal-rich cobalt and nickel aluminium compounds with the general compositions RE6Co2Al (RE=Sc, Y, Nd, Sm, Gd–Tm, Lu) and RE6Ni2.25Al0.75 (RE=Y, Gd–Tm, Lu) have been synthesised from the elements by arc-melting, followed by annealing. Single-crystal X-ray diffraction experiments on Y6Co2.02(1)Al0.98(1) (Ho6Co2Ga type; Immm; a=944.1(2), b=952.4(2), c=999.0(2) pm; wR2=0.0452, 1123 F2 values, 35 variables) and Y6Ni2.26(1)Al0.74(1) (Ho6Co2Ga type; Immm; a=938.30(5), b=959.45(5), c=996.05(6) pm; wR2=0.0499, 1131 F2 values, 35 variables) revealed that the compounds form solid solutions according to the general formula RE6(Co/Ni)2+xAl1−x with different homogeneity ranges. The compounds of the Ni series can be obtained in X-ray pure form only with the nominal composition RE6Ni2.25Al0.75. A significant increase of the U22 component of the anisotropic displacement parameters of the Co/Ni2 atoms (4g site) was observed that requires a description of the structure with a split-position model at RT. Further investigations by low temperature (90 K) single-crystal X-ray diffraction experiments of Y6Co2.02(1)Al0.98(1) showed a significant decrease of U22. Magnetic measurements were conducted on the X-ray pure members of the RE6Co2Al (RE=Y, Dy–Tm, Lu) series. Antiferromagnetic ordering was observed for the members with unpaired f electrons with Néel temperatures up to TN=48.0(1) K and two spin reorientations for Dy6Co2Al.

Platinum-Germanium Ordering in the Germanides REPtGe with the Heavy Rare Earth Elements

2009 ◽  
Vol 64 (4) ◽  
pp. 383-387 ◽  
Author(s):  
Ute Ch. Rodewald ◽  
Birgit Heying ◽  
Rolf-Dieter Hoffmann ◽  
Dirk Niepmann ◽  
Rainer Pöttgen
Keyword(s):  
Rare Earth ◽  
Rare Earth Elements ◽  
Single Crystal ◽  
Three Dimensional ◽  
Type Structure ◽  
Crystal Chemical ◽  
Heavy Rare Earth ◽  
Structure Space ◽  
Arc Melting ◽  
Heavy Rare Earth Elements

The equiatomic germanides REPtGe with the heavy rare earth elements (RE) have been reinvestigated with respect to platinum-germanium ordering. The compounds were prepared by arc-melting of the elements followed by annealing for two weeks at 1070 K. The REPtGe germanides crystallize with the TiNiSi-type structure, space group Pnma. The structures of ErPtGe (a = 692.01(5), b = 432.03(4), c = 753.19(5) pm, wR2 = 0.0523, 435 F2, 20 variables) and the new germanide LuPtGe (a = 683.1(1), b = 429.2(1), c = 750.3(1) pm, wR2 = 0.0696, 358 F2, 20 variables) have been refined from single crystal diffractometer data. These structures exhibit three-dimensional [PtGe] networks with strong Pt-Ge intra- (251 - 255 pm in LuPtGe) and weaker interlayer (272 pm in LuPtGe) interactions. The crystal chemical peculiarities of the whole REPtGe series are briefly discussed.

The crystal structure of galeite, Na15(SO4)5F4Cl

1975 ◽  
Vol 40 (312) ◽  
pp. 357-361 ◽  
Author(s):  
L. Fanfani ◽  
A. Nunzi ◽  
P. F. Zanazzi ◽  
A. R. Zanzari
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Diffraction Data ◽  
Three Dimensional ◽  
Thermal Parameters ◽  
X Ray Diffraction ◽  
Cell Content ◽  
X Ray ◽  
Structure Factors

SummaryThe crystal structure of galeite from Searles Lake (California) has been determined by means of X-ray diffraction data on a single crystal. A possible structure was derived from that of schairerite on the basis of chemical and lattice analogies and was confirmed by comparison of the observed diffractometric structure factors with the calculated ones. The refinement was performed by least-squares methods employing isotropic thermal parameters and assuming that atoms related by translational pseudosymmetry exhibit equal thermal parameters. The final R value is 0·09. The cell content is 3[Na15(SO4)5F4Cl]; the space group is P31m The lattice dimensions are a 12·197(4)Å, c 13·955(10) Å The marked subcell has P3m1 symmetry and a 7·042Å, c 13·955 Å. The crystal structure of galeite consists of a three-dimensional framework, formed by coordination octahedra around Na+ ions, including tetrahedral holes with sulphur atoms at the centres. The three-dimensional framework can be considered built up by five octahedral sheets (seven sheets can be recognized in schairerite and six in sulphohalite). The very close analogies occurring in the structures of galeite and schairerite are discussed.

Structural phase transitions in YPtGe2 and GdPtGe2

2018 ◽  
Vol 47 (17) ◽  
pp. 6075-6088 ◽  
Author(s):  
Oliver Janka ◽  
Rolf-Dieter Hoffmann ◽  
Birgit Heying ◽  
Rainer Pöttgen
Keyword(s):  
Phase Transitions ◽  
Single Crystal ◽  
Diffraction Data ◽  
Structural Phase ◽  
Structural Phase Transitions ◽  
X Ray Diffraction ◽  
Temperature Dependent ◽  
X Ray ◽  
Arc Melting

The germanides YPtGe2 and GdPtGe2 were synthesized from REGe2 precursor compounds and platinum by arc-melting and their structures were studied on the basis of temperature-dependent single crystal X-ray diffraction data.

Alkaline earth metal ordering in CaCu9Mg2 and SrCu9Mg2

2020 ◽  
Vol 235 (4-5) ◽  
pp. 137-141
Author(s):  
Maximilian K. Reimann ◽  
Rainer Pöttgen
Keyword(s):  
Single Crystal ◽  
Diffraction Data ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
Induction Melting ◽  
X Ray Diffraction ◽  
Muffle Furnace ◽  
Coordination Polyhedra ◽  
X Ray

AbstractThe copper-rich intermetallic compounds CaCu9Mg2 and SrCu9Mg2 were synthesized by induction melting of the elements and subsequent annealing in a muffle furnace. CaCu9Mg2 and SrCu9Mg2 crystallize with the TbCu9Mg2 type structure, space group P 63/mmc, which is a ternary ordered variant of CeNi3. The polycrystalline samples were characterized through their X-ray powder patterns. The CaCu9Mg2 structure was refined from single-crystal X-ray diffraction data. a = 504.13(9), c = 1622.5(3) pm, wR2 = 0.0635, 302 F2 values and 19 variables. The two striking coordination polyhedra in the CaCu9Mg2 structure are Ca@Cu18Mg2 and Mg@Cu12Mg3Ca. These polyhedra condense to layers which are stacked in ABA′B′ sequence. The X-ray data give no hint for Ca/Mg mixing.

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