Structural and 121Sb Mössbauer Spectroscopic Investigations of the Antimonide Oxides REMnSbO (RE = La, Ce, Pr, Nd, Sm, Gd, Tb) and REZnSbO (RE = La, Ce, Pr)

2008 ◽  
Vol 63 (7) ◽  
pp. 834-840 ◽  
Author(s):  
Inga Schellenberg ◽  
Tom Nilges ◽  
Rainer Pöttgen
Keyword(s):  
Transition Metal ◽  
Single Crystal ◽  
Single Crystals ◽  
Tetrahedral Coordination ◽  
Hyperfine Fields ◽  
Space Group ◽  
X Ray ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Covalently Bonded

Quaternary antimonide oxides REMnSbO (RE = La, Ce, Pr, Nd, Sm,Gd, Tb) and REZnSbO (RE = La, Ce, Pr) were synthesized from the RESb monoantimonides and MnO, respectively ZnO, in sealed tubes at 1170 K. Single crystals were obtained from NaCl/KCl salt fluxes. The ZrCuSiAs-type (space group P4/nmm) structures of LaMnSbO (a = 423.95(7), c = 955.5(27) pm, wR2 = 0.067, 247 F2), CeMnSbO (a = 420.8(1), c = 950.7(1) pm, wR2 = 0.097, 250 F2), SmMnSbO (a = 413.1(1), c = 942.3(1) pm, wR2 = 0.068, 330 F2), LaZnSbO (a = 422.67(6), c = 953.8(2) pm, wR2 = 0.052, 259 F2), and NdZnSbO (a = 415.9(1), c = 945.4(4) pm, wR2 = 0.109, 206 F2) were refined from single crystal X-ray diffractometer data. The structures consist of covalently bonded (RE3+O2−)+ and (T2+Sb3−)− layers with weak ionic interlayer interactions. The oxygen and transition metal atoms both have tetrahedral coordination within the layers. 121Sb Mössbauer spectra of the REMnSbO and REZnSbO compounds show single antimony sites with isomer shifts close to −8 mm s−1, in agreement with the antimonide character of these compounds. PrMnSbO and NdMnSbO show transferred hyperfine fields of 8 T at 4.2 K.

Ternary Antimonides LnTSb3 with Ln = La-Nd, Sm and T = V, Cr

1995 ◽  
Vol 50 (6) ◽  
pp. 899-904 ◽  
Author(s):  
Markus Brylak ◽  
Wolfgang Jeitschko
Keyword(s):  
Transition Metal ◽  
Single Crystal ◽  
Structure Type ◽  
Variable Parameters ◽  
X Ray ◽  
Metal Site ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Structure Factors ◽  
Infinite Strings

The title compounds were prepared by reaction of the elemental components. They crystallize in a new structure type, which was determined from single-crystal X -ray data of CeCrSb3: Pbcm, a = 1310.8(3), b = 618.4(1), c = 607.9(1) pm, Z = 4, R = 0.029 for 648 structure factors and 32 variable parameters. The structure of the antimonide CeVSb3 is isotypic: a = 1319.0(2), b = 623.92(8), c = 603.03(8) pm , R = 0.041 for 477 structure factors and 32 variables. The transition metal site and one of the three antimony sites were found to have partial occupancies resulting in the exact compositions CeV0,91(1)Sb2,916(4) and CeCr0,901(9)Sb2,909(4). The structures contain fractional Sb -Sb bonds with distances varying between 301,5 and 316.4 pm. The transition metal atoms have octahedral antimony coordination. These TSb6 octahedra share faces resulting in linear infinite strings with V - V and Cr - Cr bond distances of 301.5 and 304.0 pm, respectively. The structure of these com pounds contains building elements, which are also found in antimonides with ThCr2Si2, CaBe2Ge2, and HfCuSi2 type structures.

Lead-flux Growth of Eu4Ir8As7 Crystals

2013 ◽  
Vol 68 (11) ◽  
pp. 1185-1190 ◽  
Author(s):  
Ulrike Pfannenschmidt ◽  
Rainer Pöttgen
Keyword(s):  
Single Crystal ◽  
Single Crystals ◽  
Three Dimensional ◽  
Flux Growth ◽  
Tetrahedral Coordination ◽  
X Ray ◽  
Coordination Numbers ◽  
Covalently Bonded ◽  
The Eu

Single crystals of the new arsenide Eu4Ir8As7 were grown from a lead flux. The structure was refined on the basis of single-crystal X-ray diffractometer data: Ca4Ir8P7 type, P21=m, a=1311.3(1), b = 408:4(1), c = 1360:3(1) pm, β = 98:45(1)°, wR2=0.0640, 1985 F2 values, 95 variables. The iridium and arsenic atoms in the Eu4Ir8As7 structure build up a complex three-dimensional, covalently bonded [Ir8As7] network with Ir-As distances ranging from 239 to 260 pm. Each iridium atom has three or four arsenic neighbors in slightly distorted trigonal-planar or tetrahedral coordination. The four crystallographically independent europium atoms fill cavities of coordination numbers 12, 13, and 15 (2) within the [Ir8As7] network. Parts of the Eu4Ir8As7 structure resemble known simpler structure types, and one can describe the Eu4Ir8As7 structure as an intergrowth variant of CaBe2Ge2-, TiNiSi- and AlB2-related slabs.

U3TiSb5, U3VSb5, U3CrSb5, and U3MnSb5 with "Anti"-Hf5Sn3Cu Type Structure

1994 ◽  
Vol 49 (6) ◽  
pp. 747-752 ◽  
Author(s):  
Markus Brylak ◽  
Wolfgang Jeitschko
Keyword(s):  
Transition Metal ◽  
Single Crystals ◽  
Type Structure ◽  
Interatomic Distances ◽  
X Ray ◽  
Lattice Constants ◽  
Arc Melting ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Structure Factors

The title compounds have been prepared from the elemental components by arc-melting and subsequent annealing. Single crystals of U3TiSb5 and U3MnSb5 were obtained from a tin flux and their structures were determined from single-crystal X-ray data: P63/mcm, Z = 2; a = 913.9(2), c = 611.2(1) pm, R = 0.011 (233 structure factors, 14 variables) for U3TiSb5 and a = 916.8(2), c = 613.2(1) pm, R = 0.015 (427 structure factors, 14 variables) for U3MnSb5. The lattice constants of the isotypic compounds are: a = 908.2(2), c = 608.3(2) pm for U3VSb5 and a = 911.0(1), c = 611.5(1) pm for U3CrSb5. The structure of these antimonides may be regarded as an “anti”-type structure of Hf5Sn3Cu with the antimony atoms on the hafnium sites, while the positions of the uranium and transition metal atoms correspond to the positions of the tin and copper atoms. A comparison of the interatomic distances of U3TiSb5 with those of U3Sb4, USb2, and a-antimony suggests oxidation numbers according to (U+III)3Ti+IV(Sb1-III)3(Sb2-II)2, where the Sb2 atoms form weakly bonded chains

New Intermetallic Zinc Compounds with Ordering Variants of the KHg2 and LT-SrZn5 Type

2014 ◽  
Vol 69 (6) ◽  
pp. 674-680 ◽  
Author(s):  
Christian Schwickert ◽  
Rainer Pöttgen
Keyword(s):  
Transition Metal ◽  
Single Crystal ◽  
Single Crystals ◽  
Coordination Number ◽  
Induction Furnace ◽  
Three Dimensional ◽  
Zinc Compounds ◽  
Space Group ◽  
X Ray ◽  
Dimensional Network

The intermetallic zinc compounds CaAuZn, SrPdZn, SrPtZn, SrAuZn, BaPd1.57 Zn3.43, and BaAu1.41Zn3.59 were synthesized from the elements in sealed niobium ampoules in an induction furnace. The equiatomic compounds crystallize with the orthorhombic TiNiSi-type structure, space group Pnma. Single-crystal X-ray data exhibited small degrees of Au=Zn mixing within the three-dimensional [AuZn] networks and resulted in the compositions CaAu1.02Zn0.98 and SrAu1.03Zn0.97 for two investigated single crystals. BaPd1.57 Zn3.43 and BaAu1.41 Zn3.59 adopt partially ordered versions of the LT-SrZn5 type, space group Pnma. Both structures were refined on the basis of X-ray single-crystal diffractometer data. a=1331.13(6), b=531.45(3), c=682.20(4) pm, wR=0.0245, 1138 F2 values, 39 variables for BaPd1.57Zn3.43 and a=1344.35(2), b=537.47(2), c=691.22(4) pm, wR=0.0441, 931 F2 values, 37 refined variables for BaAu1.41Zn3.59. The transition metal and zinc atoms form a complex three-dimensional network of (T, Zn)4 tetrahedra which are condensed via common corners and T/Zn-T/Zn bonds. Large cavities within these networks are filled by the barium atoms which have coordination number 19, i. e. Ba@(T, Zn)17Ba2.

Rare Earth-rich Cadmium Compounds RE4TCd (T = Ni, Pd, Ir, Pt)

2008 ◽  
Vol 63 (9) ◽  
pp. 1127-1130 ◽  
Author(s):  
Falko M. Schappacher ◽  
Ute Ch. Rodewald ◽  
Rainer Pöttgen
Keyword(s):  
Rare Earth ◽  
Transition Metal ◽  
Single Crystal ◽  
Intermetallic Compounds ◽  
Three Dimensional ◽  
Type Structure ◽  
Space Group ◽  
X Ray ◽  
Structure Space ◽  
Cadmium Compounds

New intermetallic compounds RE4TCd (RE = Y, La-Nd, Sm, Gd-Tm, Lu; T = Ni, Pd, Ir, Pt) were synthesized by melting of the elements in sealed tantalum tubes in a highfrequency furnace. They crystallize with the Gd4RhIn-type structure, space group F 4̄3m, Z = 16. The four gadolinium compounds were characterized by single crystal X-ray diffractometer data: a = 1361.7(1) pm, wR2 = 0.062, 456 F2 values, 19 variables for Gd4NiCd; a = 1382.1(2) pm, wR2 = 0.077, 451 F2 values, 19 variables for Gd4PdCd; a = 1363.6(2) pm, wR2 = 0.045, 494 F2 values, 19 variables for Gd4IrCd; a = 1379.0(1) pm, wR2 = 0.045, 448 F2 values, 19 variables for Gd4PtCd. The rare earth atoms build up transition metal-centered trigonal prisms which are condensed via common corners and edges, leading to three-dimensional adamantane-related networks. The cadmium atoms form Cd4 tetrahedra which fill voids left in the prisms’ network.

AlkalineEarthMetal-Hydride-Iodide Compounds: Syntheses andCrystal Structures of Sr2H3I and Ba5H2I3.9(2)O2

2011 ◽  
Vol 66 (1) ◽  
pp. 21-26
Author(s):  
Olaf Reckeweg ◽  
Francis J. DiSalvo
Keyword(s):  
Single Crystal ◽  
Single Crystals ◽  
Structural Model ◽  
Structure Type ◽  
Lattice Parameters ◽  
Molar Ratio ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
New Compounds

Single crystals of Sr2H3I andBa5H2I3.9(2)O2 were obtained by reacting Sr or Ba, respectively, with dried and sublimed NH4I in a 4 : 1 molar ratio in silica-jacketed Nb ampoules for 13 h at 1200 K. The crystal structures of the new compounds have been determined by means of single-crystal X-ray diffraction. Sr2H3I crystallizes in a stuffed anti-CdI2 structure isotypic to Ba2H3Cl in the space group P3m1 (no. 164) with the lattice parameters a = 426.0(1) and c = 774.9(2) pm, while Ba5H2I3.9(2)O2 crystallizes in a new structure type in the space group Cmcm (no. 63) with the lattice parameters a = 1721.0(2), b = 1452.5(2) and c = 639.03(9) pm. The structural results for Sr2H3I are corroborated by EUTAX calculations. For the disordered compound Ba5H2I3.9(2)O2, EUTAX calculations on an approximated, ordered structural model were used to find possible insights into the disorder

Orthoborate Halides with the Formula (M+II)5(BO3)3X: Syntheses, Crystal Structures and Raman Spectra of Eu5(BO3)3Cl and Ba5(BO3)3X (X = Cl, Br)

2011 ◽  
Vol 66 (4) ◽  
pp. 359-365 ◽  
Author(s):  
Olaf Reckeweg ◽  
Armin Schulz ◽  
Francis J. DiSalvo
Keyword(s):  
Single Crystal ◽  
Single Crystals ◽  
Crystal Structures ◽  
Raman Spectra ◽  
Direct Synthesis ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Incremental Volume

Single crystals of Eu5(BO3)3Cl were obtained by serendipity by reacting Eu2O3 and Mg with B2O3 at 1300 K in the presence of an NaCl melt for 13 h in silica-jacketed Nb ampoules. Ba5(BO3)3X (X = Cl, Br) crystals were formed by direct synthesis from appropriate amounts of Ba(OH)2, H3BO3 and the respective barium halide (hydrate) in alumina crucibles kept in the open atmosphere at 1300 K for 13 h. The crystal structures of the title compounds were determined with single-crystal X-ray diffraction. All compounds crystallize isotypically to Sr5(BO3)3Cl in the orthorhombic space group C2221 (no. 20, Z = 4) with the lattice parameters a = 1000.34(7), b = 1419.00(9), c = 739.48(5) pm for Eu5(BO3)3Cl, a = 1045.49(5), b = 1487.89(8), c = 787.01(4) pm for Ba5(BO3)3Cl, and a = 1048.76(7), b = 1481.13(9) and c = 801.22(5) pm for Ba5(BO3)3Br. The Raman spectra of all compounds were acquired and are presented and compared to literature data. The incremental volume of the orthoborate (BO3)3− anion has been determined and is compared to the Biltz volume

The Stannides EuPdSn and EuPtSn

1996 ◽  
Vol 51 (6) ◽  
pp. 806-810 ◽  
Author(s):  
Rainer Pöttgen
Keyword(s):  
Single Crystal ◽  
Single Crystals ◽  
Crystal Chemistry ◽  
Three Dimensional ◽  
Type Structure ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

Abstract EuPdSn and EuPtSn were prepared from the elements in tantalum tubes at 1070 K and investigated by X-ray diffraction on both powder as well as single crystals. They crystallize with the TiNiSi type structure of space group Pnma and with Z = 4 formula units per cell. Both structures were refined from single-crystal diffractometer data: a = 751.24(9), b = 469.15(6), c = 804.31(9) pm, V = 0.2835(1) nm3 for EuPdSn, and a = 753.38(7), b = 467.72(4), c = 793.08(7) pm, V = 0.2795(1) nnr for EuPtSn. The structures consist of three-dimensional [PdSn] and [PtSn] polyanionic networks in which the europium atoms are embedded. The crystal chemistry of these stannides is briefly discussed

scholarly journals Notizen: Die Kristallstruktur von (PPh4)2[Sn(N3)6] / The Crystal Structure of (PPh4)2[Sn(N3)6]

1983 ◽  
Vol 38 (10) ◽  
pp. 1301-1303 ◽  
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Space Group ◽  
X Ray ◽  
Covalently Bonded ◽  
Ray Methods

Single crystals of (P(C6H5)4)2[Sn(N3)6] were prepared by the reaction of SnCl2 with AgN3 or NaN3 in a CH2Cl2 suspension in the presence of PPh4Cl. The crystal structure was solved with X-ray methods (space group P1̅, Z = 1, a = 1021, b = 1064, c = 1247 pm, α = 88.1°, β = 74.9°, γ = 68.6°, 3691 independent reflexions, R = 0.039). The structure consists of PPh4⊕ cations and anions [Sn(N3)6]2⊖. The symmetry of the hexazidostannate is Ci, the N3-groups are covalently bonded to the Sn-centre with ∢SnNN between 119 and 126°.

Über Oxocuprate, ΧΧΙII Zur Kenntnis von Ho2Cu2O5 / On Oxocuprates, XXIII About Ho2Cu2O5

1977 ◽  
Vol 32 (6) ◽  
pp. 609-611 ◽  
Author(s):  
H.-R. Freund ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Oxide Mixture ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants ◽  
Data Space

Single crystals of the compound Ho2Cu2O5 were obtained by melting the oxide mixture (2 CuO : 1 Ho2O3), using KF as a flux. The crystal structure was investigated by single crystal X-ray data (Space group C2v9-P 21 nb, lattice constants: a = 1247.8, b = 1081.3, c = 349.5 pm).

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