New Perovskite Based Structures in the Bi-Sr-O System

1992 ◽  
Vol 275 ◽  
Author(s):  
Bokhimi ◽  
M. Portilla
Keyword(s):  
Cell Parameter ◽  
Crystalline Phases ◽  
Space Group ◽  
Crystalline Structures ◽  
Cell Parameters ◽  
Group I

ABSTRACTWe report one amorphous and four new crystalline phases in the Bi-Sr-0 system. The structure of three of the crystalline phases was identified. The Br10Bi6O24-y phase, which is cubic with space group Fm3m and cell parameter a = 0.8471(1) nm. The SreBi10O27-y phase, which is tetragonal with the space group I/mmm, and cell parameters a = 0.6007(1), c = 0.8376(1) nm. The SreBi10O27-y phase, which is tetragonal with space group I/mmm and cell parameters a = 1.3221(1), c = 0.4249(1) nm. We show that in the crystalline structures Sr and Bi occupy equivalent sites.

About the crystal structure of La1−xSrxCoO3−δ (0≤x≤0.6)

1996 ◽  
Vol 11 (1) ◽  
pp. 31-34 ◽  
Author(s):  
Nicole M. L. N. P. Closset ◽  
René H. E. van Doorn ◽  
Henk Kruidhof ◽  
Jaap Boeijsma
Keyword(s):  
Crystal Structure ◽  
Unit Cell Parameter ◽  
Cell Parameter ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

The crystal structure of La1−xSrxCoO3−δ (0≤x≤0.6) has been studied, using powder X-Ray diffraction. The crystal structure shows a transition from rhombohedral distorted perovskite for LaCoO3−δ into cubic perovskite for La0.4Sr0.6CoO3−δ. The cubic unit cell parameter is ac=3.8342(1) Å for La0.4Sr0.6CoO3−δ, the space group probably being Pm3m. Using a hexagonal setting, the cell parameters for La0.5Sr0.5CoO3−δ, are a=5.4300(3) Å, c=13.2516(10) Å; a=5.4375(1) Å, c=13.2313(4) Å for La0.6Sr0.4CoO3−δ; a=5.4437(1) Å, c=13.2085(5) Å for La0.7Sr0.3CoO3−δ; a=5.4497(2) Å, c=13.1781(6) Å for La0.8Sr0.2CoO3−δ and a=5.4445(2) Å, c=13.0936(6) Å for LaCoO3−δ with the space group probably being R3c.

scholarly journals New data on gersdorffite and associated minerals from the Peloritani Mountains (Sicily, Italy)

2021 ◽  
Vol 33 (6) ◽  
pp. 717-726
Author(s):  
Daniela Mauro ◽  
Cristian Biagioni ◽  
Federica Zaccarini
Keyword(s):  
Crystal Structure ◽  
Microprobe Analysis ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Quartz Veins ◽  
Group I

Abstract. Gersdorffite, ideally NiAsS, and associated minerals from Contrada Zillì (Peloritani Mountains, Sicily, Italy) have been characterized through electron microprobe analysis and X-ray diffraction. Primary minerals, hosted in quartz veins, are represented by gersdorffite, tetrahedrite-(Fe), and chalcopyrite with minor pyrite and galena. Rare aikinite inclusions were observed in tetrahedrite-(Fe) and chalcopyrite. Gersdorffite occurs as euhedral to subhedral crystals, up to 1 mm in size, with (Sb,Bi)-enriched cores and (Fe,As)-enriched rims. Its chemical composition is (Ni0.79−0.95Fe0.18−0.04Co0.04−0.01)(As0.90−1.03Sb0.10−0.00Bi0.02−0.00)S0.98−0.92. It crystallizes in the space group P213, with unit-cell parameters a=5.6968(7) Å, V=184.88(7) Å3, and Z=4, and its crystal structure was refined down to R1= 0.035. Associated tetrahedrite-(Fe) has chemical formula (Cu5.79Ag0.07)Σ5.86(Cu3.96Fe1.59Zn0.45)Σ6.00(Sb3.95As0.17Bi0.03)Σ4.15S13.06, with unit-cell parameters a= 10.3815(10) Å, V=1118.9(3) Å3, and space group I-43m. Its crystal structure was refined to R1=0.027. Textural and crystallographic data suggest a polyphasic crystallization of gersdorffite under low-temperature conditions.

scholarly journals Thermoresponsive studies of porous and non-porous borophosphates.

2014 ◽  
Vol 70 (a1) ◽  
pp. C504-C504
Author(s):  
Mashikoane Mogodi ◽  
David Billing
Keyword(s):  
Thermal Expansion ◽  
Variable Temperature ◽  
Hexagonal Lattice ◽  
Linear Thermal Expansion ◽  
Lattice Parameters ◽  
Space Group ◽  
Cell Parameters ◽  
Group I ◽  
Lattice Space ◽  
Helical Channels

In this work we present the synthesis and structure-property investigation of anhydrous low porosity borophsophates [1] BPO4 and porous (NH4)0.5M1.25(H2O)2)(BP2O8)(H2O)0.5 M = Co (II), Mn (II) and NH4Fe[BP2O8(OH)] phases. Cristobalite-type BPO4 crystallizes in the tetragonal lattice, space group I-4 (No. 82) [2]. Variable-Temperature Powder X-ray diffraction (VT-PXRD) patterns for these material were analysed by the sequential and parametric Rietveld refinement [3] protocols. Both methods were used to determine the temperature dependency of the lattice parameters and linear thermal expansion coefficient. Whereas the lattice parameters were refined freely in the sequential method, the individual cell parameters were described using an empirically derived function in the parametric method. Both refinement protocols reveal significant anisotropy along the a- and c- axis as a function of temperature, with thermal expansion coefficients of 10.6 x10-6 /0C and 2.83 x10-6 /0C, respectively. Structural changes accompanying this thermoresponsive behaviour will be discussed, including the variation of the interatomic distances and P-O-B (inter-polyhedral angle, figure 1) with temperature. The open framework (NH4)0.5M1.25(H2O)2)(BP2O8)(H2O)0.5 M = Co(II) (1a), Mn(II) (1b) and NH4Fe[BP2O8(OH)] (2) phases were synthesized under mild hydrothermal methods at 1800C. The crystal structure of the isostructural (1a) and (1b) phases were refined in the hexagonal lattice, space group P65 (no. 170) and compound (2) in the monoclinic lattice, space group P21/c (no.14). Both (1a) and (1b) phases consists of NH4+ and H2O molecules located within the helical channels running along the [001] direction with compound (2) consisting exclusively of NH4+ molecules located within the helical channels running along the [100] direction. Thermoresponsive investigation conducted by TGA analysis reveal a five, four and three step mass loss process for compounds (1a), (1b) and (2) respectively, with the final step observed at 500-7000C range. Preliminary VT-PXRD results of these compounds will also be presented.

Influence of iron content on cell parameters of rhombohedral La0.6Sr0.4Co1−yFeyO3

1996 ◽  
Vol 11 (3) ◽  
pp. 240-245 ◽  
Author(s):  
Johan E. ten Elshof ◽  
Jaap Boeijsma
Keyword(s):  
Thermal Decomposition ◽  
Diffraction Data ◽  
Iron Content ◽  
Cell Parameter ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Unit Cells ◽  
Complex Solutions

Powder X-ray diffraction data are reported for La0.6Sr0.4Co1−yFeyO3 (y=0.1, 0.25, 0.4, 0.6, 0.8, 1.0). The powders were prepared by thermal decomposition of metal-containing complex solutions. All compositions have rhombohedral unit cells. In hexagonal setting, the cell parameters are a=5.4388 Å, c=13.2355 Å for y=0.1; a=5.4427 Å, c=13.2542 Å for y=0.25; a=5.4530 Å, c=13.2838 Å for y=0.4; a=5.4769 Å, c=13.3175 Å for y=0.6; a=5.5057 Å, c=13.3918 Å for y=0.8; and a=5.5278 Å, c=13.4368 Å for y=1.0. The space group is probably R3c (167) for all compositions. The observed trends in the change of the pseudocubic cell parameter ac with increasing iron content can be explained in terms of substitution of Co4+ by Fe4+ when y<0.4, and substitution of Co3+ by Fe3+ when y≳0.4.

scholarly journals Preparation and Crystal Structures of SomeAIVB2IIO4Compounds: Powder X-Ray Diffraction and Rietveld Analysis

2014 ◽  
Vol 2014 ◽  
pp. 1-6 ◽  
Author(s):  
K. Jeyadheepan ◽  
C. Sanjeeviraja
Keyword(s):  
Tin Oxide ◽  
Cell Parameter ◽  
Rietveld Analysis ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Cell Search ◽  
Binary Oxides ◽  
Zinc Tin Oxide

TheAIVB2IIO4compounds such as cadmium tin oxide (Cd2SnO4or CTO) and zinc tin oxide (Zn2SnO4or ZTO) are synthesized by solid state reaction of the subsequent binary oxides. The synthesized powders were analyzed through the powder X-ray diffraction (PXRD). Cell search done on the PXRD patterns shows that the Cd2SnO4crystallizes in orthorhombic structure with space groupPbamand the cell parameters asa=5.568(2) Å,b=9.894(3) Å, andc=3.193(1) Å and the Zn2SnO4crystallizes as cubic with the space groupFd3 -mand with the cell parametera=8.660(2) Å. Rietveld refinement was done on the PXRD patterns to get the crystal structure of the Cd2SnO4and Zn2SnO4and to define the site deficiency of atoms which causes the electrical properties of the materials.

Kristallstruktur von Na4OBr2 / Crystal Structure of Na4OBr2

1990 ◽  
Vol 45 (2) ◽  
pp. 105-106 ◽  
Author(s):  
Karin Hippler ◽  
Stephan Sitta ◽  
Petra Vogt ◽  
Horst Sabrowsky
Keyword(s):  
Crystal Structure ◽  
Structure Type ◽  
X Ray Diffraction ◽  
Fourier Methods ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Group I

The colourless compound Na4OBr2 has been prepared and its crystal structure determined by X-ray diffraction. Very hygroscopic Na4OBr2 crystallizes in the tetragonal space group I 4/mmm (Z = 2) with the cell parameters a = 452.1(3) and c = 1490.8(1) pm. The structure was solved from 267 symmetry independent reflections by Patterson and Fourier methods (R = 0.028; wR = 0.029). Na4OBr2 crystallizes in the anti-K2NiF4-structure type and is isotypic to Na4OI2 and K4OBr2 which have been described earlier.

scholarly journals The crystal chemistry of elsmoreite from the Hemerdon (Drakelands) mine, UK: hydrokenoelsmoreite-3C and hydrokenoelsmoreite-6R

2016 ◽  
Vol 80 (7) ◽  
pp. 1195-1203 ◽  
Author(s):  
Stuart J. Mills ◽  
Andrew G. Christy ◽  
Mike S. Rumsey ◽  
John Spratt
Keyword(s):  
United Kingdom ◽  
Cell Parameter ◽  
Chemical Study ◽  
Unit Cell ◽  
Chemical Analyses ◽  
Unit Cell Parameters ◽  
Space Group ◽  
Cell Parameters ◽  
Al Substitution ◽  
Long Range Ordering

AbstractA crystallographic and chemical study of two 'elsmoreite' samples (previously described as 'ferritungstite') from the Hemerdon mine (now known as the Drakelands mine), Devon, United Kingdom has shown them to be two different polytypes of hydrokenoelsmoreite. Hydrokenoelsmoreite-3C(HKE-3C) crystallizes in space group , with the unit-cell parameter a = 10.3065(3) Å. Hydrokenoelsmoreite-6R (HKE-6R) crystallizes in space group , with the unit-cell parameters a = 7.2882(2) Å and c = 35.7056(14)Å. Chemical analyses showed that both polytypes have Na and Fe/Al substitution giving the formulae: (Na0.28Ca0.04K0.02(H2O)0.20⁏1.46)∑2.00(W1.47Fe3+0.32Al0.21As5+0.01)∑2.00[O4.79(OH)1.21]∑6.00·(H2O)(3C) and (Na0.24Ca0.04K0.03(H2O)0.63⁏1.06)∑2.00(W1.42Fe3+0.49Al0.08As5+0.01)∑2.00[O4.65(OH)1.35]∑6.00·(H2O)(6R). The doubling of the unit cell in the 6R phase is due to ordering of Na and ( ,H2O) in the A site; no long-range ordering is observed between W and Fe/Al in the B site.

scholarly journals Crystal-to-Crystal Transformation from K2[Co(C2O4)2(H2O)2]·4H2O to K2[Co(μ-C2O4)(C2O4)]

2021 ◽  
Vol 7 (6) ◽  
pp. 77
Author(s):  
Bin Zhang ◽  
Yan Zhang ◽  
Guangcai Chang ◽  
Zheming Wang ◽  
Daoben Zhu
Keyword(s):  
Hydrogen Bond ◽  
Physical Properties ◽  
Crystal Structures ◽  
Molecular Crystal ◽  
Trigonal Prism ◽  
Space Group ◽  
Cell Parameters ◽  
Oxalate Anion ◽  
Crystal Transformation ◽  
Antiferromagnetic Ordering

Crystal-to-crystal transformation is a path to obtain crystals with different crystal structures and physical properties. K2[Co(C2O4)2(H2O)2]·4H2O (1) is obtained from K2C2O4·2H2O, CoCl2·6H2O in H2O with a yield of 60%. It is crystallized in the triclinic with space group P1 and cell parameters: a = 7.684(1) Å, b = 9.011(1) Å, c = 10.874(1) Å, α = 72.151(2)°, β = 70.278(2)°, γ = 80.430(2)°, V = 670.0(1) Å3, Z = 2 at 100 K. 1 is composed of K+, mononuclear anion [Co(C2O4)2(H2O)22−] and H2O. Co2+ is coordinated by two bidentated oxalate anion and two H2O in an octahedron environment. There is a hydrogen bond between mononuclear anion [Co(C2O4)2(H2O)22−] and H2O. K2[Co(μ-C2O4)(C2O4)] (2) is obtained from 1 by dehydration. The cell parameters of 2 are a = 8.460(5) Å, b = 6.906 (4) Å, c = 14.657(8) Å, β = 93.11(1)°, V = 855.0(8) Å3 at 100 K, with space group in P2/c. It is composed of K+ and zigzag [Co(μ-C2O4)(C2O42−]n chain. Co2+ is coordinated by two bisbendentate oxalate and one bidentated oxalate anion in trigonal-prism. 1 is an antiferromagnetic molecular crystal. The antiferromagnetic ordering at 8.2 K is observed in 2.

Two lithium tricyanomethanide compounds: syntheses and single-crystal structure determination of LiK[C(CN)3]2 and Li[C(CN)3]·½ (H3C)2CO

2015 ◽  
Vol 70 (3) ◽  
pp. 191-196 ◽  
Author(s):  
Olaf Reckeweg ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Structure Determination ◽  
Monoclinic Space Group ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Cell Parameters ◽  
New Compounds

AbstractThe new compounds LiK[C(CN)3]2 and Li[C(CN)3]·½ (H3C)2CO were synthesized and their crystal structures were determined. Li[C(CN)3]·½ (H3C)2CO crystallizes in the orthorhombic space group Ima2 (no. 46) with the cell parameters a=794.97(14), b=1165.1(2) and c=1485.4(3) pm, while LiK[C(CN)3]2 adopts the monoclinic space group P21/c (no. 14) with the cell parameters a=1265.7(2), b=1068.0(2) and c=778.36(12) pm and the angle β=95.775(7)°. Single crystals of K[C(CN)3] were also acquired, and the crystal structure was refined more precisely than before corroborating earlier results.

scholarly journals New crystal structures of adenylate kinase fromStreptococcus pneumoniaeD39 in two conformations

2014 ◽  
Vol 70 (11) ◽  
pp. 1468-1471
Author(s):  
Trung Thanh Thach ◽  
Sangho Lee
Keyword(s):  
Crystal Structures ◽  
Adenylate Kinase ◽  
Bound States ◽  
Critical Role ◽  
Unit Cell ◽  
Unit Cell Parameters ◽  
Space Group ◽  
Cell Parameters ◽  
Ligand Free ◽  
Adenylate Kinases

Adenylate kinases (AdKs; EC 2.7.3.4) play a critical role in intercellular homeostasis by the interconversion of ATP and AMP to two ADP molecules. Crystal structures of adenylate kinase fromStreptococcus pneumoniaeD39 (SpAdK) have recently been determined using ligand-free and inhibitor-bound crystals belonging to space groupsP21andP1, respectively. Here, new crystal structures of SpAdK in ligand-free and inhibitor-bound states determined at 1.96 and 1.65 Å resolution, respectively, are reported. The new ligand-free crystal belonged to space groupC2, with unit-cell parametersa= 73.5,b= 54.3,c= 62.7 Å, β = 118.8°. The new ligand-free structure revealed an open conformation that differed from the previously determined conformation, with an r.m.s.d on Cαatoms of 1.4 Å. The new crystal of the complex with the two-substrate-mimicking inhibitorP1,P5-bis(adenosine-5′-)pentaphosphate (Ap5A) belonged to space groupP1, with unit-cell parametersa= 53.9,b= 62.3,c= 63.0 Å, α = 101.9, β = 112.6, γ = 89.9°. Despite belonging to the same space group as the previously reported crystal, the new Ap5A-bound crystal contains four molecules in the asymmetric unit, compared with two in the previous crystal, and shows slightly different lattice contacts. These results demonstrate that SpAdK can crystallize promiscuously in different forms and that the open structure is flexible in conformation.

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