Der PrPS4-Strukturtyp und eine ”aufgefüllte“ Variante: Die Verbindungen TbPS4 und LiEuPS4 / The PrPS4 Type Structure and a Filled Variant: The Compounds TbPS4 and LiEuPS4

2005 ◽  
Vol 60 (7) ◽  
pp. 705-708 ◽  
Author(s):  
Stefan Jörgens ◽  
Lirija Alili ◽  
Albrecht Mewis
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Type Structure ◽  
C 30

Colourless single crystals of TbPS4 (a = 10.696(2), c = 19.053(4) Å ) were obtained by reaction of the elements (750 °C; 30 h). The compound crystallizes with the PrPS4 type structure (I41/acd; Z = 16). The structure consists of isolated PS4 tetrahedra each surrounded by four Tb3+ cations. Both crystallographically different Tb3+ cations are coordinated by eight sulfur atoms which are part of four PS4 tetrahedra. Orange single crystals of LiEuPS4 (a = 11.498(2), c = 19.882(4) Å ) were prepared by reaction of Eu and P with Li2S4 (700 Å; 20 h). The crystal structure corresponds to the PrPS4 type, in which tubes running along [001] are occupied by Li atoms, which are surrounded by four S atoms in strongly distorted tetrahedra. LiS4 and PS4 tetrahedra are connected via common edges into alternating chains.

Neue Chalcogenophosphate: KBaPS4, KBaPSe4 und Ba3PO4PSe4 / New Chalcogenophosphates: KBaPS4, KBaPSe4, and Ba3PO4PSe4

2005 ◽  
Vol 60 (4) ◽  
pp. 431-436 ◽  
Author(s):  
Stefan Jörgens ◽  
Albrecht Mewis
Keyword(s):  
Single Crystals ◽  
Type Structure ◽  
Coordination Polyhedra ◽  
Coordination Numbers ◽  
New Type ◽  
C 30 ◽  
Strong Distortion

Colourless single crystals of KBaPS4 (a = 11.587(2), b = 6.700(1), c = 10.118(2) Å ), and pale orange ones of KBaPSe4 (a = 11.972(2), b = 6.973(1), c = 10.388(2) Å ) were obtained by reactions of Ba3(PS4)2 and Ba3(PSe4)2, respectively, with KCl (790 °C; 30 h). The isotypic compounds crystallize with a slightly modified TlEuPS4 type structure (Pnma, Z = 4); that is, the characteristic units are distorted discrete PX4 tetrahedra (X: S, Se) interconnected by K+ and Ba2+. However, due to the strong distortion of the trigonal X6 prisms along [001] the coordination numbers increase from 8 to 9 for the barium atoms and from 8 to 11 for the potassium atoms. Orange crystals of Ba3PO4PSe4 (a= 6.779(1), b =7.108(1), c =12.727(3)Å ; α = 82.45(3)°, β =78.88(3)°, γ =81.34(3)°) resulted as a by-product of the synthesis of Ba3(PSe4)2. The compound crystallizes in a new type of structure (P1̅; Z = 2) and is the first chalcogenophosphate with discrete PO4 and PSe4 tetrahedra. The coordination polyhedra of the barium atoms are formed by both chalcogen atoms

A Metal Nitride Carbodiimide with a Stuffed Skutterudite-type Structure: Synthesis, Crystal Structure and IR Spectra of (Ba6N5/6)2[NbN4][CN2]6

2007 ◽  
Vol 62 (10) ◽  
pp. 1246-1250 ◽  
Author(s):  
Olaf Reckeweg ◽  
Mehmet Somer ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Ir Spectra ◽  
Single Crystals ◽  
Ir Spectrum ◽  
Title Compound ◽  
Bond Angle ◽  
Type Structure ◽  
Bond Lengths ◽  
Structure Synthesis ◽  
Bending Modes

Coppery-red, transparent single crystals of (Ba6N5/6)2[NbN4][CN2]6 (Im¯3, no. 204, a =1125.83(3) pm, Z = 2) are obtained by the reaction of Ba2N and ZnCN2 with the container walls of the arc-welded Nb ampoules at 1100 K. The title compound assumes a stuffed skutterudite-type structure in which edge-sharing (Ba6N5/6) octahedra form large voids which are occupied by either [NbN4] tetrahedra or by [N=C=N]2− units with symmetric C=N bond lengths of d = 121.8(6) pm but a bond angle deviating significantly from linearity (∡ (N-C-N) = 175.3(9)°). The IR spectra corroborate this crystallographic result by the fact that all fundamental vibrations are visible in the IR spectrum [ν1 = 1262 (symmetric stretching mode); ν2 = 1957/2009 (antisymmetric stretching mode); ν3 = 611/633/653 cm−1 (bending modes)], which is symmetry forbidden for [N=C=N]2− units having D∞h symmetry but expected for the C2v symmetry found in the title compound.

Über Oxoplumbate(IV) Die Kristallstruktur von HT-Li2PbO3 [1] The Crystal Structure of HT-Li2PbO3 [1] / On Oxoplumbates(IV) The Crystal Structure of HT-Li2PbO3 [1]

1983 ◽  
Vol 38 (6) ◽  
pp. 661-664 ◽  
Author(s):  
Berthold Brazel ◽  
Rudolf Hoppe
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Structure Determination ◽  
Type Structure ◽  
Ionic Radii ◽  
Space Group ◽  
Coordination Numbers

Abstract Single crystals of HT-Li2PbO3 have been prepared by heating of mixtures of Rb2PbO3 and Li2O [Ag-cylinders, 600 °C, 100 d]. The structure determination [1005 symmetry independent l0(hkl), R = 5.85%, Rw = 5.35%, confirms space group C2/c with a = 548.60(16), b = 949.51(22), c = 1027.35(27) pm, β = 100.11(3)°, drö = 6.78 g · cm-3 , dpyk = 6.80 g · cm-3 , Z - 8. The NaCl-type structure variant is characterized by alter-nating layers of Li+ and Pb4+ /Li+ cations, which are all octahedrally coordinated. Effective Coordination Numbers, ECoN are calculated via Mean Fictive Ionic Radii, MEFIR.

Zur Kristallstruktur von Ho2Se3/ On the Crystal Structure of Ho2Se3

1998 ◽  
Vol 53 (8) ◽  
pp. 900-902 ◽  
Author(s):  
Werner Urland ◽  
Helmut Person
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Chemical Transport ◽  
Type Structure ◽  
Space Group ◽  
Lattice Constants ◽  
Brownish Yellow ◽  
Structure Space

Abstract Starting from HoSe2-x powder and holmium metal bright brownish-yellow, plate-like single crystals of Ho2Se3 could be prepared by chemical transport with AlCl3. Holmium sesquiselenide crystallizes in the Sc2S3-type structure, space group Fddd, with lattice constants a = 1140,7(2), b -812,6(1) and c = 2423,9(3) pm.

Synthesis, Crystal Structure and Optical Spectra of Yb2[CN2]3

2007 ◽  
Vol 62 (5) ◽  
pp. 658-662 ◽  
Author(s):  
Olaf Reckeweg ◽  
Thomas Schleid ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Title Compound ◽  
Optical Spectra ◽  
Type Structure ◽  
Distorted Tetrahedron ◽  
Bond Lengths ◽  
Fundamental Frequencies

Abstract Red-orange, transparent single crystals of Yb2[CN2]3 [trigonal, R3̄c (no. 167), a = 630.02(3) and c = 2947.4(2) pm, Z = 6] are obtained by the reaction of Yb, Sn, Zn[CN2] and NaN3 in arc-welded Nb ampoules at 1100 K. The title compound exhibits characteristic C-N bond lengths and angles [d(C-N) = 122.7(3) pm and ∡(N-C-N) = 178.4(5)°, respectively] within the [N=C=N]2− unit as well as the expected fundamental frequencies in its optical spectra (Raman: νs = 1338; δ = 643 / 683 / 695 cm−1; IR: νas = 2005 / 2037; δ = 640 / 679 cm−1). Since Yb2[CN2]3 adopts a corundum-type structure, Yb3+ is octahedrally coordinated by six N atoms of different [CN2]2− anions [d(Yb-N) = 228.6(3) and 233.4(3) pm, 3× each] and every [CN2]2− group has four Yb3+ as next neighbours which form a distorted tetrahedron.

EuPdGe - a New Germanide with EuNiGe Type Structure

1995 ◽  
Vol 50 (8) ◽  
pp. 1181-1184 ◽  
Author(s):  
Rainer Pöttgen
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Title Compound ◽  
Type Structure ◽  
X Ray Diffraction ◽  
X Ray

The title compound was prepared from the elemental components in a tantalum tube at 1070 K and investigated by X-ray diffraction of both powder as well as single crystals. The crystal structure was refined from four-circle diffractometer data: P21/n, a = 618.1(1), b = 613.6(1), c = 743.9(1) pm, β = 109.40(1)°, V = 0.2661(1) nm3, Z = 4, wR2 = 0.0536 for 1564 F2 values and 29 variables. EuPdGe crystallizes with the EuNiGe type structure. Both Pd and Ge atoms in EuPdGe have three germanium or palladium neighbors, respectively. They form two-dimensionally infinite [PdGe] polyanions which consist of corrugated 4.82 nets. These polyanions are separated by the europium atoms.

The Stannide Zr5CuSn3

1997 ◽  
Vol 52 (1) ◽  
pp. 141-144 ◽  
Author(s):  
Rainer Pöttgen
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Melting Furnace ◽  
Type Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Arc Melting

Zr5CuSn3 was prepared from the elements in an arc-melting furnace and investigated by X-ray diffraction of powders as well as of single crystals. The crystal structure was refined from four-circle diffractometer data: P63/mcm, a = 860.04(7) pm, c = 586.80(5) pm, V = 0.3759(1) nm3, Z = 2, wR2 = 0.0402 for 371 F2 values and 15 variables. A refinement of the occupancy parameters re­vealed that the copper position is occupied to only 95.3(8)% in the crystal used for the X-ray investigation. Zr5CuSn3 crystallizes in the Hf5CuSn3 type structure, a filled variant of the Mn5Si3 type. The main features of the Zr5CuSn3 structure are condensed Zr6 octahedra that are centered by copper atoms

scholarly journals Zur Kristallstruktur der Thiocuprate K3Cu8S6 und Rb3Cu8S6 / On the Crystal Structure of the Thiocuprates K3Cu8S6 and Rb3Cu8S6

1979 ◽  
Vol 34 (5) ◽  
pp. 675-677 ◽  
Author(s):  
Christian Burschka
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Fusion Reaction ◽  
Type Structure ◽  
Crystal Data ◽  
Space Group ◽  
X Ray ◽  
R Value

Abstract The title compounds can be synthesized by fusion reaction of the alkali carbonates with copper and sulfur at 790 °C. The structure was solved from X-ray diffractometer data of single crystals and refined to an R-value of 0.06. The compounds crystallize with the same layer-type structure which is closely related to that of KCU3S2. Crystal data for K3Cu8S6 (Rb3Cu8S6): space group C2/m,z = 2, ϱcalc = 4.27(4.76) g/cm 3 , a = 17.332(4) (17.840(6)) Å, b = 3.830(2) (3.865(1)) Å, c = 9.889(4) (10.011(3)) Å, β = 104.12(2)° (104.91(2)°).

Crystal Structure and Properties of Ti2In5

1995 ◽  
Vol 50 (10) ◽  
pp. 1505-1509 ◽  
Author(s):  
Rainer Pöttgen
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Room Temperature ◽  
Type Structure ◽  
Structure And Properties ◽  
Specific Resistivity ◽  
X Ray Diffraction ◽  
X Ray ◽  
Metallic Conductor

Ti2In5 was prepared from the elemental components in a tantalum tube at 970 K and investigated by X-ray diffraction of powders as well as of single crystals. The crystal structure was refined from four-circle diffractometer data: P4/mbm, a = 1000.35(5) pm, c = 299.77(2) pm, V = 0.29998(5) nm3, Z = 2, wR2 = 0.0367 for 369 F2 values and 15 variables. Ti2In5 crystallizes with the Mn2Hg5 type structure. The indium atoms form consecutive planar layers which may be considered as a tesselation of triangles, squares, and pentagons. The titanium atoms occupy the pentagonal prismatic voids between these layers. Ti2In5 is Pauli paramagnetic and a good metallic conductor with a specific resistivity of 50 μΩcm at room temperature. The compound was previously described with the composition “Ti3In4”.

Über Oxoplumbate(IV). Die Kristallstruktur von TT-Li2PbO3 [1] .On Oxoplumbates(IV) The Crystal Structure of LT-Li2PbO3 [1]

1982 ◽  
Vol 37 (11) ◽  
pp. 1369-1374 ◽  
Author(s):  
Berthold Brazel ◽  
Rudolf Hoppe
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Structure Determination ◽  
Lattice Energy ◽  
Type Structure ◽  
Ionic Radii ◽  
Glass Ampoule ◽  
Space Group ◽  
Coordination Numbers ◽  
First Time

For the first time single crystals of LT-Li2PbO3 have been prepared by decomposition of K2Li6[Pb2O8] [Incompletely closed Ag cylinders, sealed in Supremax-glass ampoule, vacuum, 690 °C, 100 d]. The structure determination [533Io(hkl); four-circle-diffractometer PW 1100, ω - scan, Mo - Kα, R = 4,86%, Rw = 4,93% confirms space group C2/c with a = 544.52(7), b = 926.12(7), c = 547,56(8) pm, β = 111.216(13)°, Z = 4, drö = 6.94 g · cm-3, dpyk = 6.89 g · cm-3. The NaCl-type structure variant is characterized by alternating layers of Li(2)+ and Li(l)+/Pb4+ cations. All atoms have octahedral coordination. The Madelung Part of Lattice Energy, MAPLE, Effective Coordination Numbers, ECoN, these via Mean Fictive Ionic Radii, MEFIR, are calculated.

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