Synthesis and structural characterization of Ca12Ge17B8O58

2016 ◽  
Vol 71 (11) ◽  
pp. 1141-1146
Author(s):  
Sebastian Bräuchle ◽  
Klaus Wurst ◽  
Hubert Huppertz
Keyword(s):  
Crystal Structure ◽  
High Temperature ◽  
Solid State ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
Open Structure ◽  
X Ray ◽  
Tetragonal Crystal ◽  
Tetragonal Crystal System

AbstractCa12Ge17B8O58 was prepared by high-temperature solid state synthesis at 1100°C in a platinum crucible from calcium carbonate, boric acid, and germanium(IV) oxide. The compound crystallizes in the tetragonal crystal system in the space group P4̅ (No. 81) isotypically to Cd12Ge17B8O58. The structure was refined from single-crystal X-ray diffraction data: a = 15.053(8), c = 4.723(2) Å, V = 1070.2(2) Å3, R1 = 0.0151, and wR2 = 0.0339 for all data. The crystal structure of Ca12Ge17B8O58 consists of [Ge4O12]n chains composed of GeO4 tetrahedra and GeO6 octahedra. The chains are interconnected into a [Ge4O10.5]n network via corner sharing. By additional [Ge(B2O7)4]28– clusters, these units are connected to a three-dimensional [Ge17B8O58]24– framework. The open structure forms three types of tunnels with five-, six-, and seven-membered rings (MRs) along the c axis, where the Ca2+ are located.

Synthesis and structural characterization of Li3Y(BO3)2

2017 ◽  
Vol 72 (2) ◽  
pp. 153-158 ◽  
Author(s):  
Sebastian Bräuchle ◽  
Hubert Huppertz
Keyword(s):  
Crystal Structure ◽  
High Temperature ◽  
Solid State ◽  
Boric Acid ◽  
Structural Characterization ◽  
Diffraction Data ◽  
Lithium Carbonate ◽  
X Ray Diffraction ◽  
X Ray

AbstractLi3Y(BO3)2 was prepared by high-temperature solid state synthesis at 900°C in a platinum crucible from lithium carbonate, boric acid, and yttrium(III) oxide. The compound crystallizes monoclinically in the space group P21/c (no. 14) (Z=4) isotypically to Li3Gd(BO3)2. The structure was refined from single-crystal X-ray diffraction data: a=8.616(3), b=6.416(3), c=10.014(2) Å, β=116.6(2)°, V=494.9(3) Å3, R1=0.0211, and wR2=0.0378 for all data. The crystal structure of Li3Y(BO3)2 consists of [Y2O14] dinuclear units, which are interconnected to each other by planar B(1)O3 groups and LiO4 tetrahedra via common edges and corners along the a axis.

Synthesis and structural characterization of Li3K3Eu7(BO3)9

2017 ◽  
Vol 72 (12) ◽  
pp. 959-965 ◽  
Author(s):  
Sebastian Bräuchle ◽  
Markus Seibald ◽  
Hubert Huppertz
Keyword(s):  
Crystal Structure ◽  
High Temperature ◽  
Solid State ◽  
Potassium Carbonate ◽  
Diffraction Data ◽  
Lithium Carbonate ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
X Ray

AbstractLi3K3Eu7(BO3)9 was prepared by high-temperature solid state synthesis at 900°C in a platinum crucible from lithium carbonate, potassium carbonate, boric acid, and europium(III) oxide. The title compound crystallizes in the orthorhombic space group Pca21 (no. 29) (Z=4). The structure was refined from single-crystal X-ray diffraction data: a=21.126(2), b=6.502(2), c=17.619(2) Å, V=2420.1(2) Å3, R1=0.0183 and wR2=0.0412 for all data. The crystal structure of Li3K3Eu7(BO3)9 is isotypic to Li3K3Y7(BO3)9 featuring isolated BO3 units and LiO6 octahedra forming [Li3B4O21] units in the ac plane, which are linked by additional BO3 units. The K+ and Eu3+ cations are arranged in the cavities of the structure.

Studied on Structural Characterization of Lanthanum Doped Barium Titanium Ceramics

2015 ◽  
Vol 819 ◽  
pp. 198-203
Author(s):  
Nur Farahin Abdul Hamid ◽  
Rozana Aina Maulat Osman ◽  
Mohd Sobri Idris ◽  
Tze Qing Tan
Keyword(s):  
Crystal Structure ◽  
Lattice Parameter ◽  
Phase Changes ◽  
X Ray Diffraction ◽  
X Ray ◽  
Tetragonal Crystal ◽  
Tetragonal Crystal Structure ◽  
La Doped ◽  
Conventional Solid State Synthesis

La-doped barium titanate (BaTiO3) was prepared using conventional solid state synthesis route. All peaks for sample x=0 are approaching the phase pure of BaTiO3 structure with tetragonal crystal structure (P4mm). Sintering of pressed powder are performed at 1300oC, 1400oC and 1450oC for overnight for pure BaTiO3 and 1350oC for 3 days for BaTiO3 doped lanthanum with intermittent grinding. Phase transition was studied by different x composition. The changes in the crystal structure of the composition x=0.1 and 0.2 were detected by using X-ray diffraction (XRD). The phase changes between tetragonal-cubic and cubic-tetragonal depending on the temperature. Rietveld Refinement analysis is carried out to determine the lattice parameter and unit cell for BaTiO3.

Synthesis, crystal structure and luminescence properties of a new samarium borate phosphate, CsNa2Sm2(BO3)(PO4)2

2020 ◽  
Vol 76 (12) ◽  
pp. 1068-1075
Author(s):  
Dan Zhao ◽  
Lin-Ying Shi ◽  
Rui-Juan Zhang ◽  
Ya-Li Xue
Keyword(s):  
Crystal Structure ◽  
High Temperature ◽  
Three Dimensional ◽  
High Temperature Solution ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
Temperature Solution ◽  
Light Excitation ◽  
Total Structure

A new caesium sodium samarium borate phosphate, CsNa2Sm2(BO3)(PO4)2, has been obtained successfully by the high-temperature solution growth (HTSG) method and single-crystal X-ray diffraction analysis reveals that it crystallizes in the orthorhombic space group Cmcm. The structure contains BO3, PO4, NaO7 and SmO7 polyhedra which are interconnected via corner- or edge-sharing O atoms to form a three-dimensional [Na2Sm2(BO3)(PO4)2]∞ network. This network delimits large cavities where large Cs+ cations reside to form the total structure. Under 402 nm light excitation, CsNa2Sm2(BO3)(PO4)2 exhibits three emission bands due to the 4f→4f transitions of Sm3+. Furthermore, we introduced Gd3+ into Sm3+ sites to optimize the Sm3+ concentration and improve the luminescence intensity. The optimal concentration is Gd/Sm = 98/2. The luminescent lifetime of a series of CsNa2Gd2(1–x)Sm2x (BO3)(PO4)2 phosphors shows a gradual degradation of lifetime from 2.196 to 0.872 ms for x = 0.01–0.10. The Commission Internationale de l'Eclairage (CIE) 1931 calculation reveals that CsNa2Gd1.96Sm0.04(BO3)(PO4)2 can emit orange light under 402 nm excitation.

Novel Red-Orange Phosphors Na2BaMg(PO4)2:Pr3+: Synthesis, Crystal Structure and Photoluminescence Performance

2018 ◽  
Vol 73 (2) ◽  
pp. 99-103 ◽  
Author(s):  
Lu Pan ◽  
Xiaozhan Yang ◽  
Chaoyue Xiong ◽  
Dashen Deng ◽  
Chunlin Qin ◽  
...  
Keyword(s):  
Crystal Structure ◽  
High Temperature ◽  
Solid State ◽  
Solid State Lighting ◽  
Photoluminescence Properties ◽  
X Ray Diffraction ◽  
Hexagonal Cell ◽  
X Ray ◽  
Trigonal System ◽  
Chromaticity Coordinates

AbstractA series of new red-orange emission phosphors Na2BaMg(PO4)2:Pr3+ were synthesised by a high-temperature solid-state reaction. The crystal structure and photoluminescence properties of these samples were characterised by X-ray diffraction and spectroscopic measurements. This compound holds P3̅m1 space group of the trigonal system with the lattice parameters of hexagonal cell a=0.5304(3) nm and c=0.6989(3) nm. The phosphor emits the strongest peak at 606 nm when excited by 449 nm. The average Commission Internationale de l’Eclairage chromaticity coordinates calculated for the phosphors are (0.52, 0.46). The results demonstrate the potential application of these phosphors in solid-state lighting and other fields.

scholarly journals A new ternary compound with the BGa8Ir4 structure type in the Al–Au–Ir system

2019 ◽  
Vol 75 (1) ◽  
pp. 49-52
Author(s):  
Joris Kadok ◽  
Marie-Cécile de Weerd ◽  
Pascal Boulet ◽  
Vincent Fournée ◽  
Julian Ledieu
Keyword(s):  
Crystal Structure ◽  
Ternary Phase ◽  
Structure Type ◽  
Gold Content ◽  
X Ray Diffraction ◽  
X Ray ◽  
Tetragonal Crystal ◽  
Pearson Symbol ◽  
Tetragonal Crystal System

Following the recent determination of the Al3AuIr structure, a new ternary phase has been identified in the Al–Au–Ir phase diagram. It has a chemical composition Al9(Au;Ir)4 with an apparently low gold content. Its crystal structure has been determined with single-crystal X-ray diffraction. The new compound crystallizes in the tetragonal crystal system and has been successfully solved in space group I41/acd (Pearson symbol tI104) with lattice parameters a = 8.6339 (2) and c = 21.8874 (7) Å. Atomic environments are described as well as similarities with the BGa8Ir4 compound.

Crystal Structure of Bis(triethylammonium)closo-decahydrodecaborate, [(C2H5)3NH]2[B10H10]

2000 ◽  
Vol 55 (6) ◽  
pp. 499-503 ◽  
Author(s):  
Kathrin Hofmann ◽  
Barbara Albert
Keyword(s):  
Crystal Structure ◽  
High Temperature ◽  
Powder Diffraction ◽  
High Temperature Phase ◽  
Temperature Phase ◽  
X Ray ◽  
Crystal System ◽  
System A ◽  
Tetragonal Crystal ◽  
Tetragonal Crystal System

The crystal structure of bis(triethylammonium)closo-decahydrodecaborate [bis(triethylammonium) decaboranate(10)], [(C2H5)3NH]2[B10H10], was determined and refined (space group Pmmn, no. 59, a = 989.7, b = 1333.7, c = 903.7 pm). The compound is a versatile starting material for many substances containing the [BioHio]2- entity and its derivatives. The closo-[B10H10]2- cluster is a bicapped square antiprism which is only slightly distorted. Its deviation from D4d symmetry is smaller than that of the B10 cages in every other compound containing this entity that have been structurally characterised. The presence of additional (N )H ---B3 interactions in form of multiple-centre bonds between the cations and the anions, which were postulated earlier and which should influence the cage symmetry, could not be confirmed. At 55 °C, the transition into a high temperature phase was investigated by X-ray powder diffraction. The high temperature phase crystallises in the tetragonal crystal system (a = 946.9, c = 1351.0 pm).

Synthesis and characterization of robust three-dimensional chiral metal sulfates

RSC Advances ◽  
2014 ◽  
Vol 4 (92) ◽  
pp. 50435-50442 ◽  
Author(s):  
J. N. Behera ◽  
Joydeep Bhattacharjee ◽  
Satoshi Horike ◽  
Subba R. Marri ◽  
Prem P. Dahiya
Keyword(s):  
Thermal Decomposition ◽  
High Temperature ◽  
First Principles ◽  
Three Dimensional ◽  
Ammonium Ion ◽  
Synthesis And Characterization ◽  
First Principles Calculations ◽  
X Ray Diffraction ◽  
X Ray

Chiral three-dimensional Mg(ii) and Mn(ii) sulfates have been synthesized, well characterized and studied from first-principles calculations. High temperature X-ray diffraction, thermogravimetric analysis and DFT calculations reveal that the structures of both the compounds remain intact even after the thermal decomposition of the ammonium ion.

Synthesis and structural characterization of BaSr2Ge3O9

2016 ◽  
Vol 71 (12) ◽  
pp. 1225-1232
Author(s):  
Sebastian Bräuchle ◽  
Clivia Hejny ◽  
Hubert Huppertz
Keyword(s):  
High Temperature ◽  
Solid State ◽  
Structural Characterization ◽  
Diffraction Data ◽  
Barium Carbonate ◽  
Strontium Carbonate ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
X Ray

AbstractBaSr2Ge3O9 was prepared by high-temperature solid-state synthesis at 1100°C in a platinum crucible from barium carbonate, strontium carbonate, and germanium(IV) oxide. The compound crystallizes in the triclinic space group P1̅ (no. 2) isotypically to walstromite BaCa2Si3O9. The structure was refined from single-crystal X-ray diffraction data: a=7.104(5), b=10.060(7), c=7.099(5) Å, α=83.0(2), β=77.0(2), γ=70.2(2)°, V=464.3(6) Å3, R1=0.0230, and wR2=0.0602 for all data. BaSr2Ge3O9 is characterized by three-membered rings of germanate tetrahedra. There are three crystallographically different Ge sites (Ge1, Ge2, and Ge3) in each [Ge3O9]6− ring. The rings occur in layers with the apices of alternating rings pointing in opposite directions. The Sr2+ and Ba2+ ions are located in between. The Sr1 cation is eight-fold coordinated, while Sr2 is octahedrally surrounded by oxide anions, and the Ba cation again eight-fold coordinated.

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