The intrinsic properties of FA(1−x)MAxPbI3 perovskite single crystals

2017 ◽  
Vol 5 (18) ◽  
pp. 8537-8544 ◽  
Author(s):  
Yuan Huang ◽  
Liang Li ◽  
Zonghao Liu ◽  
Haoyang Jiao ◽  
Yuqing He ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Migration Behavior ◽  
Intrinsic Properties ◽  
Ion Migration

We provided a systematical investigation to correlate the crystal structure, composition, mobility, and ion migration behavior to the ratio of MA+/FA+ in FA(1−x)MAxPbI3 single crystal.

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.

Calcium Carbodiimide Compounds Revisited – Syntheses, Single Crystal Structure Determination and Vibrational Spectra of Ca11N6[CN2]2, Ca4N2[CN2] and Ca[CN2]

2008 ◽  
Vol 63 (5) ◽  
pp. 530-536 ◽  
Author(s):  
Olaf Reckeweg ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Raman Spectrum ◽  
Single Crystal ◽  
Single Crystals ◽  
Vibrational Spectra ◽  
Structure Determination ◽  
X Ray ◽  
Characteristic Features ◽  
Reported Data ◽  
Correct Data

Single crystals of Ca11N6[CN2]2 (dark red needles, tetragonal, P42/mnm (no. 136), a = 1456.22(5), and c = 361.86(2) pm, Z = 2), Ca4N2[CN2] (transparent yellow needles, orthorhombic, Pnma (no. 62), a = 1146.51(11), b = 358.33(4), and c = 1385.77(13) pm, Z = 4) and Ca[CN2] (transparent, colorless, triangular plates, rhombohedral, R3̅m (no. 166), a = 369.00(3), and c = 1477.5(3) pm, Z = 3) were obtained by the reaction of Na2[CN2], CaCl2 and Ca3N2 (if demanded by stoichiometry) in arc-welded Ta ampoules at temperatures between 1200 - 1400 K. Their crystal structures were re-determined by means of single crystal X-ray structure analyses. Additionally, the Raman spectra were recorded on these same single crystals, whereas the IR spectra were obtained with the KBr pellet technique. The title compounds exhibit characteristic features for carbodiimide units with D∞h symmetry (d(C-N) = 121.7 - 123.8 pm and ∡ (N-C-N) = 180°). The vibrational frequencies of these units are in the expected range (Ca11N6[CN2]2: νs = 1230, νs = 2008; δ = 673/645/624 cm−1; Ca4N2[CN2]: νs = 1230, νs = 1986; δ = 672/647 cm−1; Ca[CN2]: νs = 1274, νs = 2031, δ = 668 cm−1). The structural results are more precise than the previously reported data, and with the newly attained Raman spectrum of Ca11N6[CN2]2 we correct data reported earlier.

scholarly journals Rubidium tetrafluoridobromate(III): redetermination of the crystal structure from single-crystal X-ray diffraction data

IUCrData ◽  
2019 ◽  
Vol 4 (11) ◽  
Author(s):  
Artem V. Malin ◽  
Sergei I. Ivlev ◽  
Roman V. Ostvald ◽  
Florian Kraus
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Diffraction Data ◽  
Structure Type ◽  
X Ray Diffraction ◽  
X Ray ◽  
Square Planar ◽  
Atomic Coordinates

Single crystals of rubidium tetrafluoridobromate(III), RbBrF4, were grown by melting and recrystallizing RbBrF4 from its melt. This is the first determination of the crystal structure of RbBrF4 using single-crystal X-ray diffraction data. We confirmed that the structure contains square-planar [BrF4]− anions and rubidium cations that are coordinated by F atoms in a square-antiprismatic manner. The compound crystallizes in the KBrF4 structure type. Atomic coordinates and bond lengths and angles were determined with higher precision than in a previous report based on powder X-ray diffraction data [Ivlev et al. (2015). Z. Anorg. Allg. Chem. 641, 2593–2598].

Crystal Structure of Eu2PdSi3

2003 ◽  
Vol 58 (10) ◽  
pp. 971-974 ◽  
Author(s):  
U. Ch. Rodewald ◽  
R.-D. Hoffmann ◽  
R. Pöttgen ◽  
E.V. Sampathkumaran
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Two Dimensional ◽  
Silica Tube ◽  
Variable Parameters ◽  
X Ray

Single crystals of Eu2PdSi3 were obtained from an arc-melted sample that was further annealed at 1020 K for seven days in a silica tube. The structure of Eu2PdSi3 was refined from single crystal X-ray diffractometer data: P6/mmm, a = 831.88(12), c = 435.88(9) pm, wR2 = 0.1175, 265 F2 values, and 13 variable parameters. It crystallizes with the U2RuSi3 structure, a superstructure of the AlB2 type. The palladium and silicon atoms form a planar two-dimensional [PdSi3] network. The two crystallographically different europium atoms have hexagonal prismatic coordinations Eu1Si12 and Eu2Pd4Si8. The Pd-Si and Si-Si distances within the [PdSi3] network are 244 and 236 pm, respectively.

scholarly journals Crystal structure, homogeneity range and electronic structure of rhombohedral γ-Mn5Al8

2017 ◽  
Vol 232 (7-9) ◽  
Author(s):  
Srinivasa Thimmaiah ◽  
Zachary Tener ◽  
Tej N. Lamichhane ◽  
Paul C. Canfield ◽  
Gordon J. Miller
Keyword(s):  
Crystal Structure ◽  
Phase Diagram ◽  
Electronic Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Homogeneity Range ◽  
X Ray Diffraction ◽  
X Ray ◽  
Eds Analysis

AbstractThe γ-region of the Mn–Al phase diagram between 45 and 70 at.% Al was re-investigated by a combination of powder and single crystal X-ray diffraction as well as EDS analysis to establish the distribution of Mn and Al atoms. Single crystals of γ-Mn

Ultrafast ion migration in hybrid perovskite polycrystalline thin films under light and suppression in single crystals

2016 ◽  
Vol 18 (44) ◽  
pp. 30484-30490 ◽  
Author(s):  
Jie Xing ◽  
Qi Wang ◽  
Qingfeng Dong ◽  
Yongbo Yuan ◽  
Yanjun Fang ◽  
...  
Keyword(s):  
Thin Films ◽  
Single Crystals ◽  
Migration Behavior ◽  
Ion Migration ◽  
Polycrystalline Thin Films ◽  
Hybrid Perovskite ◽  
Light Stability ◽  
Effect Of Light

This study reveals the important effect of light on ion migration behavior and morphology dependent light stability.

The crystal structure of a simple enol formed in a single-crystal-to-single-crystal enolene rearrangement

2004 ◽  
Vol 82 (2) ◽  
pp. 301-305 ◽  
Author(s):  
Kenneth CW Chong ◽  
Brian O Patrick ◽  
John R Scheffer
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Diffraction Data ◽  
Room Temperature ◽  
Thermal Reaction ◽  
Thermal Rearrangement ◽  
X Ray Diffraction ◽  
X Ray ◽  
Phenyl Ketone

When crystals of 9-tricyclo[4.4.1.0]undecalyl-4-(carbomethoxy)phenyl ketone (1) were allowed to stand in the dark for extended periods of time at room temperature, the compound underwent a thermal reaction — the enolene rearrangement — to afford enol 2. The crystals remained transparent and appeared unchanged in shape as the reaction proceeded. X-ray diffraction data were collected on single crystals containing 17%, 25%, 66%, and 100% of the enol. The crystal structure of a simple enol was obtained via this novel single-crystal-to-single-crystal enolene rearrangement.Key words: single crystal, thermal, rearrangement, enol, enolene.

scholarly journals Magnetocaloric properties of the single crystal Mn0.99Fe0.01As

2019 ◽  
Vol 55 (1) ◽  
pp. 118-124
Author(s):  
G. A. Govor ◽  
A. O. Larin ◽  
V. I. Mitsiuk ◽  
G. S. Rimskiy ◽  
T. M. Tkachenkа
Keyword(s):  
Magnetic Field ◽  
Crystal Structure ◽  
Phase Transition ◽  
Phase Transitions ◽  
External Magnetic Field ◽  
Single Crystal ◽  
Single Crystals ◽  
Calculation Method ◽  
Magnetostructural Transition ◽  
Magnetocaloric Properties

The Stockbargard – Bridgman method yielded single crystals Mn0.99Fe0.01As. The effect of an external magnetic field with an intensity of up to 10 T on phase transitions in the single crystal Mn0.99Fe0.01As is studied. It is established that the magnetostructural phase transition in Mn0.99Fe0.01As is accompanied by a change in the entropy ΔSm, which is due to the transformation of the crystal structure. At temperatures above the temperature of the magnetostructural transition Tu = 290 K, the existence of an unstable magnetic structure is obtained. The magnetocaloric characteristics of the material under study are determined by an indirect calculation method based on the Maxwell thermodynamic relations and the Clapeyron – Clausius equation.

scholarly journals Crystal structures of cristobalite-type and coesite-type PON redetermined on the basis of single-crystal X-ray diffraction data

2015 ◽  
Vol 71 (11) ◽  
pp. 1325-1327 ◽  
Author(s):  
Maxim Bykov ◽  
Elena Bykova ◽  
Vadim Dyadkin ◽  
Dominik Baumann ◽  
Wolfgang Schnick ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Crystal Structures ◽  
Rotation Axis ◽  
Asymmetric Unit ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structure Determinations ◽  
Anisotropic Displacement Parameters

Hitherto, phosphorus oxonitride (PON) could not be obtained in the form of single crystals and only powder diffraction experiments were feasible for structure studies. In the present work we have synthesized two polymorphs of phosphorus oxonitride, cristobalite-type (cri-PON) and coesite-type (coe-PON), in the form of single crystals and reinvestigated their crystal structures by means of in house and synchrotron single-crystal X-ray diffraction. The crystal structures ofcri-PON andcoe-PON are built from PO2N2tetrahedral units, each with a statistical distribution of oxygen and nitrogen atoms. The crystal structure of thecoe-PON phase has the space groupC2/cwith seven atomic sites in the asymmetric unit [two P and three (N,O) sites on general positions, one (N,O) site on an inversion centre and one (N,O) site on a twofold rotation axis], while thecri-PON phase possesses tetragonalI-42dsymmetry with two independent atoms in the asymmetric unit [the P atom on a fourfold inversion axis and the (N,O) site on a twofold rotation axis]. In comparison with previous structure determinations from powder data, all atoms were refined with anisotropic displacement parameters, leading to higher precision in terms of bond lengths and angles.

Über Oxocuprate, ΧΧΙII Zur Kenntnis von Ho2Cu2O5 / On Oxocuprates, XXIII About Ho2Cu2O5

1977 ◽  
Vol 32 (6) ◽  
pp. 609-611 ◽  
Author(s):  
H.-R. Freund ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Oxide Mixture ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants ◽  
Data Space

Single crystals of the compound Ho2Cu2O5 were obtained by melting the oxide mixture (2 CuO : 1 Ho2O3), using KF as a flux. The crystal structure was investigated by single crystal X-ray data (Space group C2v9-P 21 nb, lattice constants: a = 1247.8, b = 1081.3, c = 349.5 pm).

Sign in / Sign up

Export Citation Format

Share Document