Über ein Blei-Kupfer-Tellurat PbCu3TeO7 mit Cu2+ in deformiert tetragonal pyramidaler und tetraedrischer Sauerstoffkoordination / On a Lead Copper Tellurate PbCu3TeO7 Containing Cu2+ in Distorted Square Pyramidal and Tetrahedral Oxygen Coordination

1996 ◽  
Vol 51 (11) ◽  
pp. 1587-1590 ◽  
Author(s):  
B. Wedel ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Lone Pair ◽  
Lattice Energy ◽  
Orthorhombic Symmetry ◽  
Tetrahedral Coordination ◽  
X Ray ◽  
Oxygen Coordination ◽  
Group D ◽  
Symmetry Space ◽  
Symmetry Space Group ◽  
Anionic Part

PbCu3TeO7 has been prepared from the element oxides by solid state reaction in air. Single crystal X-ray work led too orthorhombic symmetry, space group D2h16-Pnma, a = 10.488(1), b = 6.353(2), c = 8.813(2) Å, Z = 4. Cu(1)O5 square pyramids and TeO6 octahedra are members of the anionic part of the crystal structure, Cu(2) atoms show tetrahedral coordination by oxygen. The Cu(2)2+ and the Pb2+ cations are incorporated into a [Cu(1)2TeO7] network. PbCu,TeO7 can thus be viewed as a lead copper oxocuprate(II) tellurate. Calculations of the Coulomb terms of lattice energy reveal two possible positions for the lone pair of electrons at Pb2+.

Verknüpfung von (TeO6)6- und (TeO6)3(NiO6)3-Sechsringen durch TeNiO9-Oktaederdoppel in Pb3Ni4,5Te2,5O15 / Connection of (TeO6)6 and (TeO6)3(NiO6)3 Hexagons by TeNiO9 Octahedra Double in Pb3Ni4,5Te2,5O15

1998 ◽  
Vol 53 (5-6) ◽  
pp. 527-531 ◽  
Author(s):  
B. Wedel ◽  
K. Sugiyama ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Crystal Structure ◽  
Lone Pair ◽  
Lattice Energy ◽  
Hexagonal Symmetry ◽  
X Ray ◽  
Lattice Constants ◽  
The One ◽  
Group D ◽  
Symmetry Space ◽  
Symmetry Space Group

Abstract Single crystals of Pb3Ni4.5Te2.5O15 have been prepared by heating pellets of mixtures of PbO, TeO2 and nickel hydroxide carbonate to 730 °C in air. X-ray investigations led to hexagonal symmetry, space group d66-P6322, lattice constants a = 10.2589(1), c = 13.554(5), Z = 4. Typical features of the crystal structure are face sharing TeNiO9 octahedra doubles and planes of connected (TeO6)6 and (TeO6)3(NiO6)3 hexagons. The one-sided coordination of lead by oxygen is complemented by the lone pair of electrons. The lone pair positions are estimated by calculations of the Coulomb terms of lattice energy.

Zur Kristallchemie des ersten Blei-Zink-Silicium-Telluroxids: PbZn4SiTeO10 / On the Crystal Chemistry of the First Lead Zinc Silicon Tellurium Oxyde PbZn4SiTeO10

1999 ◽  
Vol 54 (4) ◽  
pp. 469-472 ◽  
Author(s):  
B. Wedel ◽  
K. Sugiyama ◽  
K. Hiraga ◽  
K. Itagaki
Keyword(s):  
Negative Charge ◽  
Lattice Energy ◽  
Orthorhombic Symmetry ◽  
X Ray ◽  
Cell Parameters ◽  
Coulomb Term ◽  
Lead Zinc ◽  
Group D ◽  
Symmetry Space ◽  
Symmetry Space Group

Single crystals of the new lead zinc silicon tellurium oxide PbZn4SiTeO10 have been prepared by solid state reaction in air. The compound is colourless and crystallizes in orthorhombic symmetry, space group D162h Pnma, with the cell parameters: a = 6.542 (5), b = 15.624(4), c = 8.280(4) Å, Z = 4. The structure has been determined from a single crystal X-ray study and refined to the conventional values R = 0.032 and wR(F2) = 0.050. Zn2+ and Si4+ show tetrahedral and Te6+ octahedral coordination by O2-.The crystal structure is dominated by a 3∞ [Zn4O10]12- framework with isolated TeO66+ and SiO44+ polyhedra. Pb2+ ions are incorporated in the network. The centres of negative charge of the lone pairs of Pb2+ are estimated by calculations of the Coulomb term of the lattice energy

Synthese und röntgenographische Charakterisierung von zwei neuen Verbindungen des Ludwigit-Strukturtyps: Co5Sn(BO3)2O4 und Co5Mn(BO3 )2O4/Synthesis and X -Ray Characterization of Two New Compounds with Ludwigite-Structure: Co5Sn(BO3)2O4 and Co5Mn(BO3)2O4

1996 ◽  
Vol 51 (3) ◽  
pp. 305-308 ◽  
Author(s):  
Anne Utzolino ◽  
Karsten Bluhm
Keyword(s):  
Orthorhombic Symmetry ◽  
X Ray Diffraction ◽  
X Ray ◽  
Oxygen Coordination ◽  
New Compounds ◽  
Octahedral Oxygen ◽  
Group D ◽  
Symmetry Space ◽  
Symmetry Space Group

Abstract The compounds Co5Sn(BO3)2O4 (I) and Co5Mn(BO3)2O4 (II) were prepared by using a B2O3 flux technique. Single crystals were investigated by X-ray diffraction and showed orthorhombic symmetry, space group D2h9-Pbam (No. 55), I a = 944.4; b = 1233.8; c = 310.5 pm; Z = 2 and II a = 925.07; b = 1241.67; c = 305.24 pm; Z = 2. Both compounds are isotypic to the mineral Ludwigite. All metal point positions show an octahedral oxygen coordination. Co2+ and M4+ (M = Sn or Mn) occupy one point position statistically. Both structures contain isolated, trigonal planar BO3 units and oxygen atoms that are not coordinated to boron.

Planare CuO4-Polygone und eine einseitig offene Te4+O3-Koordination in SrCuTe2O6 / Planar CuO4 Polygons and a One-Sided Open Te4+O3 Coordination in SrCuTe2O6

1997 ◽  
Vol 52 (11) ◽  
pp. 1341-1344 ◽  
Author(s):  
L. Wulff ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Crystal Structure ◽  
Lone Pair ◽  
Lattice Energy ◽  
Cubic Symmetry ◽  
X Ray ◽  
Oxygen Coordination ◽  
Square Planar ◽  
The One ◽  
Symmetry Space ◽  
Symmetry Space Group

AbstractThe new compound SrCuTe2O6 has been prepared by quenching single crystals grown from a flux of SrCO3, TeO2 and CuCO3·Cu(OH)2. X-ray investigations show cubic symmetry, space group O7-P41 32, lattice constant a = 12.473(1), Z = 12. The crystal structure is characterized by square planar CuO4 polygons and a one-sided open triangular oxygen coordination of Te4+, both incorporated in a Sr/O network. The one sided oxygen coordination of tellurium is completed by the lone pair of Te4+. Calculations of the Coulomb parts of lattice energy led to the position of the lone pair centre.

Synthese und Kristallstruktur des Barium -Kupfer-Tellurit-Tellurats BaCuTeO3TeO4 / Synthesis and Crystal Structure of the Barium Copper Tellurite-Tellurate BaCuTeO3TeO4

1996 ◽  
Vol 51 (4) ◽  
pp. 465-468 ◽  
Author(s):  
O. Sedello ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Crystal Structure ◽  
Lone Pair ◽  
Lattice Energy ◽  
Structure Type ◽  
Orthorhombic Symmetry ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Barium Copper ◽  
Symmetry Space ◽  
Symmetry Space Group

Abstract Single crystals of BaCuTeO3TeO4 have been prepared by crystallisation from melts. X-ray investigations lead to orthorhombic symmetry, space group C162v-Ama2, a = 5.4869(8), b = 15.412(1), c = 7.2066(4) Å , Z = 4. This compound represents a new structure type, containing BaO10, CuO5, TeO6 and TeO4 polyhedra. The lone pair (E) of TeIV completes the TeIVO4 polyhedron to a trigonal TeO4E bipyramid. The Te to E distance is estimated by calculations of the Coulomb terms of lattice energy to 1.43 Å .

scholarly journals Synthese und Kristallstruktur von (Cu,Fe)3,63Mo3O12. Ein Oxometallat mit eindimensional flächenverkniipften Oktaederketten / Synthesis and Crystal Structure of (Cu,Fe)3,63Mo3O12. An Oxometallate Showing One-Dimensional Chains of Face Sharing Octahedra

1996 ◽  
Vol 51 (1) ◽  
pp. 90-94 ◽  
Author(s):  
O. Sedello ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Orthorhombic Symmetry ◽  
Tetrahedral Coordination ◽  
Synthesis And Crystal Structure ◽  
One Dimensional ◽  
X Ray ◽  
Group D ◽  
Symmetry Space ◽  
Symmetry Space Group

Single crystals of (Cu,Fe)3,63Mo3O12 have been prepared by crystallisation from melts. X-ray investigations lead to orthorhombic symmetry, space group D24-P212121, a = 5.0952(8), b = 10.637(2), c = 17.881(3) Å, Z = 4. (Cu,Fe)3,63Mo3O12 is isotypic to Cu3,85Mo3O12 or (Cu,Zn)3,75Mo3O12. Molybdenum shows tetrahedral coordination by oxygen. Cu+ and Fe2+ are probably distributed statistically over four different point positions. Interesting features of the crystal structure are one-dimensional chains of face shared (Cu,Fe)O6 octahedra.

Neue Einsichten zur Stabilisierung des Hulsit-Strukturtyps am Beispiel von MnII,2MnIII(BO3)O2 und MnIISrMnIII(BO3)O3 / New Insights into the Stabilization of the Hulsite Structure During Crystal Structure Determination of MnII2MnIII(BO3)O2 and MnIISrMnIII(BO3)O2

1996 ◽  
Vol 51 (10) ◽  
pp. 1433-1438 ◽  
Author(s):  
Anne Utzolino ◽  
Karsten Bluhm
Keyword(s):  
Orthorhombic Symmetry ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Oxygen Coordination ◽  
Octahedral Oxygen ◽  
Group D ◽  
Symmetry Space ◽  
Symmetry Space Group

The compounds MnII2MnIII(BO3)O2 (I) and MnIISrMnIII(BO3)O2 (II) were prepared by using a B2O3 flux technique. Single crystals were investigated by X-ray diffraction. I showed orthorhombic symmetry, space group D92h - Pbam (No. 55), a = 926.0; b = 1241.5; c = 304.96pm ; Z = 4 and II monoclinic symmetry, space group C12h - P2/m (No. 10), a = 1107.5; b = 311.04; c = 542.93 pm, β = 95,10(2)°; Z = 2. MnII2MnIII(BO3)O2 i is isotypic with the mineral Ludwigite while MnnIISrMnmIII(BO3)O2 is isostructural with the mineral Hulsite. In the structure of MnII2Mnlll(BO3)O2 (I) all metal point positions showed octahedral oxygen coordination, one point position is occupied by Mn3+ . The structure of Mnll2Sr2Mnlll2(BO3)2O4 (II) contains five octahedrally coordinated metal sites, three of them statistically occupied by Mn2+ or Mn 3+ and Sr2+. The incorperation of Sr2+ seems to be responsible for the Hulsite structure. Both structures contain isolated, trigonal planar BO3 units and oxygen atoms that are not coordinated to boron.

scholarly journals Zur Kenntnis eines Barium-Oxoniobat-Tellurats: Ba2Nb2TeO10 / On a Barium-Oxoniobate-Tellurate: Ba2Nb2TeO10

1996 ◽  
Vol 51 (10) ◽  
pp. 1407-1410 ◽  
Author(s):  
B. Wedel ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Single Crystals ◽  
Solid State Reactions ◽  
Orthorhombic Symmetry ◽  
X Ray ◽  
Lattice Constants ◽  
Group D ◽  
Symmetry Space ◽  
Symmetry Space Group

Single crystals of Ba2Nb2TeO10) have been prepared by solid state reactions in air. X-ray investigations led to orthorhombic symmetry, space group D152h-Pbca, a = 7.242(4), b = 12.433(3), c = 9.932(3) Å. Z = 4. Nb5+ and Te6+ show octahedral coordination by O2- . The crystal structure is characterized by planes of edge- and corner-sharing NbO6- and TeO6octahedra. It is shown that in spite of nearly identical lattice constants of Ba2Nb2TeO10 with compounds of the composition M0,5BaNbTe2O9 the so far unknown crystals of these substances may not be derived from the Ba2Nb2TeO10 type.

Gemischtvalente Oxovanadate, I Ein neuer Strukturtyp für die Verbindung BaV10O15/Oxovanadates with Mixed Valence, I A New Crystal Structure of BaV10O15

1980 ◽  
Vol 35 (6) ◽  
pp. 669-671 ◽  
Author(s):  
D. Chales de Beaulieu ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Crystal Structure ◽  
Mixed Valence ◽  
Structure Type ◽  
Orthorhombic Symmetry ◽  
Temperature Reaction ◽  
X Ray ◽  
High Temperature Reaction ◽  
Group D ◽  
Symmetry Space ◽  
Symmetry Space Group

Abstract BaV10O15 was prepared by high temperature reaction of BaO and V2O3 in H2-atmosphere (T > 1800°). X-ray investigations of single crystals show a new structure type with octa-hedral coordination of V3+/V2+ (statistical distribution) and cuboctahedral surrounding of Ba2+ . Orthorhombic symmetry, space group D182h-Ccmb, a = 995,8; b = 1161,8; c = 941,0; Z = 4.

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.

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