Zur Synthese und Kristallstruktur von Dibariumkaliumtrizinkborat Ba2KZn3(B3O6)(B6O13)/Synthesis and Crystal Structure of Di-barium Potassium Tri-zinc Borate Ba2KZn3(B3O6)(B6O13)

1996 ◽  
Vol 51 (3) ◽  
pp. 319-324 ◽  
Author(s):  
Silke Busche ◽  
Karsten Bluhm

Abstract Single crystals of the new compound Ba2KZn3(B3O6)(B6O13) were obtained by using a B2O3 flux technique; they crystallize in an as yet unknown structure type. X-ray investigations led to the space group Ci1-P1̄ (Nr.2) with lattice parameters a = 705.2(2), b = 712.5(2), c = 1880.3(6), a = 93.43(3)°, β = 90.72(2)°, γ = 119.57(2)°, Z = 2. The structure contains (B3O6)3--rings and a new discrete (B6O13)8- anion, which is composed of two BO4 and two B2O5 units. Zn2+ is tetrahedrally coordinated by oxygen and two out of three tenfold coordinated Ba-sites are statistically occupied by Ba2+ and K+.

1996 ◽  
Vol 51 (3) ◽  
pp. 309-312 ◽  
Author(s):  
Silke Busche ◽  
Karsten Bluhm

Abstract Single crystals of the new compound Ba2Zn(B3O6)2 were obtained by using a B2O3 flux technique. They crystallize in an as yet unknown structure type. X-ray investigations led to space group Ci1-P1̄ (Nr.2) with lattice parameters a = 715.5(2), b = 720.5(2), c = 1178.9(4), a = 78.96(2)°, β = 85.45(2)°, γ = 60.12(1)°, Z = 2. The structure is characterized by iso­lated (B3O6)3--rings and contains two ninefold coordinated Ba-sites. Zn2+ is tetrahedrally coordinated by oxygen. The relation to the crystal structures of high-temperature BaB2O4 and Ba2Ca(B3O6)2 is discussed.


1995 ◽  
Vol 50 (10) ◽  
pp. 1450-1454 ◽  
Author(s):  
Silke Busche ◽  
Karsten Bluhm

Single crystals of the new compounds Zn5Mn(BO3)2O4 (A ) and ZnFe(BO3)O (B) were prepared by using a B2O3 flux technique. Zn5Mn(BO3)2O4 is isostructural with Ni5Ti(BO3)2O4 and ZnFe(BO3)O is isotypic with the mineral warwickite. X-ray investigations on single crystals led to (A ) space group D92h -Pbam, a = 926.41(10), b = 1236.67(8), c = 304.55(3) pm, Z = 2, and (B) space group D162h-Pnma, a = 924.62(4), b = 314.1(10), c = 935.3(2) pm, Z = 4. The structure of Zn5Mn(BO3)2O4 (A ) contains four octahedrally coordinated metal sites, one of these statistically occupied by Zn2+ and Mn4+. In the structure of ZnFe(BO3)O the ions Zn2+ and Fe3+ occupy statistically both distorted octahedral sites. Both structures contain isolated BO3 units and oxygen that is not coordinated to boron.


1995 ◽  
Vol 50 (5) ◽  
pp. 757-761 ◽  
Author(s):  
Jan Schaefer ◽  
Karsten Bluhm

Abstract Pale bluish-green single crystals of the new compound CuTb2[B8O16] have been obtained by a B2O3 flux technique. They crystallize in an unknown structure type. X-ray investigations on single crystals led to the space group C52h-P21/c (Nr. 14) with lattice parameters a = 1024.6(1); b = 834.93(6); c = 622.87(6) pm , β = 90.45(2)°; Z = 2. The structure contains 1∞[B8O16]8- chains isolated from each other, which include tri- and tetracoordinated boron. The chains consist of alternating twelve- and eight-membered rings of boron and oxygen connected by BO4 units. Tb3+ is octacoordinated and Cu2+ is hexacoordinated in elongated octahedra by oxygen. The relation to the crystal structures of Tb[B3O6] and CuTb[B5O10] is pointed out.


1996 ◽  
Vol 51 (5) ◽  
pp. 671-676 ◽  
Author(s):  
Silke Busche ◽  
Karsten Bluhm

Single crystals of the new compounds LnZn(B5O10) (Ln = (A) Ce3+, (B) Nd3+, (C) T b3+) were obtained by using a B2O3 flux technique. X-ray investigations led to space group C2h5-P21/n (Nr. 14) with lattice parameters: (A) a = 874.5(1), b = 761.4(1), c = 950.0(1), β = 92.80(1)°, (B) a = 868.6(2), b = 760.9(2), c = 946.0(2), β = 92.99(2)°, (C) a = 858.2(2), b = 760.5(2), c = 939.3(2), β = 93.56(2)°, Z = 4. The structure is isotypic with CoSm(B5O10) and is characterized by two-dimensional infinite 2∞ (B5O 10)5- ions. Ln is tenfold coordinated by oxygen, and Zn2+ occupies distorted ZnO6 polyhedra.


1995 ◽  
Vol 50 (5) ◽  
pp. 717-720 ◽  
Author(s):  
H. Szillat ◽  
Hk. Müller-Buschbaum

Abstract Single crystals of the hitherto unknown compound CuSbMo2O8 were prepared by recrystallization from melts in closed copper tubes and investigated by X-ray diffractometer technique. CuSbMo2O8 crystallizes in a new structure type with monoclinic symmetry, space group C62h - I12/a1, a = 5.554(2), b = 4.916(1), c = 21.519(4) Å, β = 93.42(3)°, Z = 4. The crystal structure shows SbIII in a one-sided coordination by four oxygen. Molybdenum shows the rare octahedral coordination by oxygen. MoO6 and CuO6 octahedra form triple layers stacked and connected by Sb ions along [001].


1994 ◽  
Vol 49 (3) ◽  
pp. 350-354 ◽  
Author(s):  
Holger Szillat ◽  
Hanskarl Müller-Buschbaum

Abstract Single crystals of KCuHo2Mo4O16 have been prepared by recrystallisation from melts and investigated by X-ray diffractometer techniques. The compound crystallizes with monoclinic symmetry, space group C 2/c, a = 521.6(1), b = 1251.3(2), c = 1953.1(2) pm, β = 92.903(18)°, Z = 4. KCuHo2Mo4O16 represents a new structure type characterized by HoO8 and alternate CuO6/KO10 polyhedra chains. The connection of these polyhedra chains to each other and by MoO4 tetrahedra is described and the crystal structure discussed with respect to related compounds of the CuLnMo2O8 and KLnMo2O8 types.


1994 ◽  
Vol 49 (8) ◽  
pp. 1145-1149 ◽  
Author(s):  
Holger Szillat ◽  
Hanskarl Müller-Buschbaum

Single crystals of Cu0.25Ho1.25W2O8 were prepared by recrystallization from melts and investigated by X-ray diffractometer technique. Cu0.25Ho1.25W2O8 crystallizes with mono­clinic symmetry, space group C2/c, a = 19.123, b = 5.613, c = 11.479 Å, β = 111.44°. Z = 8. It represents a new structure type characterized by W4O18 groups and Cu+/Ho3+ at one point position in statistical distribution. Cu+/Ho3+ show an octahedral coordination. Another point position is occupied by Ho3+ with C. N. = 7.


2011 ◽  
Vol 66 (1) ◽  
pp. 21-26
Author(s):  
Olaf Reckeweg ◽  
Francis J. DiSalvo

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


2007 ◽  
Vol 353-358 ◽  
pp. 3043-3046 ◽  
Author(s):  
Ping Li Qin ◽  
Liang Qin Nong ◽  
Ji Liang Zhang ◽  
Hai Qing Qin ◽  
Jiang Ping Liao ◽  
...  

The crystal structure of a new compound NdFeSb3 has been determined by X-ray powder diffraction using the Rietveld method. The compound crystallizes in the orthorhombic, space group Pbcm (No.57) with the CeNiSb3 structure type and lattice parameters a=1.26828(2)nm, b=0.61666(2)nm, c=1.81867(4) nm, z=12 and Dcalc=7.917g/cm3.


1994 ◽  
Vol 49 (3) ◽  
pp. 355-359 ◽  
Author(s):  
F.-D. Martin ◽  
H. Müller-Buschbaum

Abstract Single crystals of KBaCuV2O7Cl have been prepared by a flux technique and investigated by X-ray analysis. The compound crystallizes with tetragonal symmetry, space group C24v-P4 bm, a = 8.8581, c = 5.4711 Å, Z = 2. The crystal structure shows Cu2+ within a one sided strongly distorted CuO4Cl2 octahedron. The copper ion is shifted towards the nearer Cl- neighbour to form a CuO4Cl square pyramid. Two VO4 tetrahedra are connected to give stretched V2O7 double tetrahedra, and linked in planes via the oxygen corners of the CuO4Cl pyramids. The crystal structure and the structure of the complex BaO8Cl2 polyhedron are discussed.


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