scholarly journals A new form of Cd3TeO6 revealing dimorphism

2018 ◽  
Vol 74 (11) ◽  
pp. 1561-1564 ◽  
Author(s):  
Matthias Weil ◽  
Théo Veyer
Keyword(s):  
Phase Formation ◽  
Low Temperatures ◽  
Structure Type ◽  
Site Symmetry ◽  
New Form

Phase-formation studies in the system CdO–TeO3 using a CsCl/NaCl melt at comparatively low temperatures revealed that tricadmium orthotellurate(VI), Cd3TeO6, is dimorphic. The new modification of Cd3TeO6 is denoted as the β-form and adopts the rhombohedral Mg3TeO6 structure type with one Cd and two O sites in general positions, and two Te sites with site symmetry \overline{3} each. In comparison with the previously reported monoclinic cryolite-type α-form that was prepared at higher temperatures, β-Cd3TeO6 has a much lower density and most likely represents a metastable modification. Whereas the [TeO6] octahedra in both polymorphs are very similar and show only minor deviations from ideal values, the polyhedra around the CdII sites are different, with a distorted [CdO6] octahedron in both modifications but an additional [CdO8] polyhedron with a [4 + 4] coordination in the α-form.

scholarly journals Thortveitite-type Tm2Si2O7

2014 ◽  
Vol 70 (7) ◽  
pp. i34-i35 ◽  
Author(s):  
Volker Kahlenberg ◽  
Paul Aichholzer
Keyword(s):  
Ambient Pressure ◽  
Point Group ◽  
Structure Type ◽  
Group Symmetry ◽  
Site Symmetry ◽  
Cation Site ◽  
Bond Lengths ◽  
Flux Synthesis ◽  
Distorted Octahedral ◽  
The Individual

Single crystals of dithulium disilicate, Tm2Si2O7, were obtained in flux synthesis experiments in the system SiO2–Tm2O3–LiF at ambient pressure. The compound belongs to the group of sorosilicates,i.e.it is based on [Si2O7]-units and crystallizes in the thortveitite (Sc2Si2O7) structure type. The Tm3+cation (site symmetry .2.) occupies a distorted octahedral site, with Tm—O bond lengths in the range 2.217 (4)–2.289 (4) Å. Each of the octahedra shares three of its edges with adjacent [TmO6] groups, resulting in the formation of layers parallel to (001). The individual [SiO4] tetrahedra are more regular,i.e.the differences between the bond lengths between Si and the bridging and non-bridging O atoms are not very pronounced. The layers containing the octahedra and the sheets containing the [Si2O7] groups (point group symmetry 2/m) form an alternating sequence. Linkage is provided by sharing common oxygen vertices.

scholarly journals Redetermination of the crystal structure of RhPb2 from single-crystal X-ray diffraction data, revealing a rhodium deficiency

2021 ◽  
Vol 77 (12) ◽  
Author(s):  
Takashi Mochiku ◽  
Yoshitaka Matsushita ◽  
Nikola Subotić ◽  
Takanari Kashiwagi ◽  
Kazuo Kadowaki
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Diffraction Data ◽  
Structure Type ◽  
Site Symmetry ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cell Parameters ◽  
Anisotropic Displacement Parameters ◽  
Slight Deficiency

RhPb2 (rhodium dilead) is a superconductor crystallizing in the CuAl2 structure type (space group I4/mcm). The Rh and Pb atoms are located at the 4a (site symmetry 422) and 8h (m.2m) sites, respectively. The crystal structure is composed of [RhPb8] antiprisms, which share their square faces along the c axis and the edges in the direction perpendicular to the c axis. We have succeeded in growing single crystals of RhPb2 and have re-determined the crystal structure on basis of single-crystal X-ray diffraction data. In comparison with the previous structure studies using powder X-ray diffraction data [Wallbaum (1943). Z. Metallkd. 35, 218–221; Havinga et al. (1972). J. Less-Common Met. 27, 169–186], the current structure analysis of RhPb2 leads to more precise unit-cell parameters and fractional coordinates, together with anisotropic displacement parameters for the two atoms. In addition and likewise different from the previous studies, we have found a slight deficiency of Rh in RhPb2, leading to a refined formula of Rh0.950 (9)Pb2.

scholarly journals Ge0.57Ti0.43O2: a new high-pressure material with rutile-type crystal structure

2018 ◽  
Vol 74 (7) ◽  
pp. 1010-1012 ◽  
Author(s):  
Emil Stoyanov ◽  
Kurt Leinenweber ◽  
Thomas L. Groy ◽  
Abds-Sami Malik
Keyword(s):  
Crystal Structure ◽  
Solid Solution ◽  
High Pressure ◽  
Single Crystals ◽  
Structure Type ◽  
Site Symmetry ◽  
Rutile Structure ◽  
High Pressure And Temperature ◽  
Atom Position ◽  
Type Crystal

Single crystals of a GeO2–TiO2 solid solution with the corresponding composition Ge0.57Ti0.43O2 (germanium titanium tetraoxide) were obtained by devitrification of germania-titania glass at high pressure and temperature. The new compound crystallizes in the rutile structure type (space group P42/mnm), where Ge and Ti share the same position M (site symmetry m.mm), with occupancy values of 0.57 (3) and 0.43 (3), respectively, and one O-atom position (m.2m). The M site is in a sixfold O-atom coordination and, as in the original TiO2 rutile structure, an elongation of the O—M—O bonds along the c-axis direction of the coordination polyhedron and deviation of the angles from 90° lead to a decrease in the coordination symmetry from octahedral to tetragonal. The Ge and Ti atoms are fully disordered in the structure, which indicates that the rutile structure is surprisingly pliant given the differing sizes of the two cations.

Synthesis, Structure and Magnetic Characterization of a New Phosphate K1.84Fe1.42Nb0.58(PO4)3 with the Langbeinite- type Structure

2008 ◽  
Vol 63 (3) ◽  
pp. 345-348 ◽  
Author(s):  
Artem A. Babaryk ◽  
Igor V. Zatovsky ◽  
Nikolay S. Slobodyanik ◽  
Ivan V. Ogorodnyk
Keyword(s):  
Crystal Structure ◽  
Low Temperatures ◽  
Structure Type ◽  
The Self ◽  
Magnetic Characterization ◽  
X Ray ◽  
Complex Phosphate ◽  
Cubic System ◽  
The Relationship

A new complex phosphate K1.84Fe1.42Nb0.58(PO4)3 has been synthesized by the self-flux technique. The X-ray single crystal structure and magnetic properties were studied. The compound crystallizes in the cubic system with space group P213 (a = 9.9404(10) Å ) and belongs to the langbeinite structure type. The structure contains [M2P3O18] building units. “Closed” fragments [M8P9O60] provide space for location of two potassium atoms. Antiferromagnetic interactions were detected at low temperatures which originate from superexchange through a M(1)-O-P-O-M(2) pathway with corresponding J = −5.5(1) cm−1. The relationship between the UV/vis absorption and the structure is discussed.

scholarly journals Synthesis, crystal structure and charge-distribution validation of β-Na4Cu(MoO4)3adopting the alluadite structure-type

2016 ◽  
Vol 72 (8) ◽  
pp. 1103-1107 ◽  
Author(s):  
Wassim Dridi ◽  
Mohamed Faouzi Zid
Keyword(s):  
Charge Distribution ◽  
Three Dimensional ◽  
Structure Type ◽  
Solid State Reactions ◽  
Site Symmetry ◽  
Structure Model ◽  
X Ray Diffraction ◽  
New Variety ◽  
X Ray ◽  
Bond Valence Sum

Single crystals of a new variety of tetrasodium copper(II) tris[molybdate(VI)], Na4Cu(MoO4)3, have been synthesized by solid-state reactions and characterized by single-crystal X-ray diffraction. This alluaudite structure-type is characterized by the presence of infinite layers of composition (Cu/Na)2Mo3O14parallel to the (100) plane, which are linked by MoO4tetrahedra, forming a three-dimensional framework containing two types of hexagonal channels in which Na+cations reside. The Cu2+and Na2+cations are located at the same general site with occupancies of 0.5. All atoms are on general positions except for one Mo, two Na (site symmetry 2) and another Na (site symmetry -1) atom. One O atom is split into two separate positions with occupancies of 0.5. The title compound is isotypic with Na5Sc(MoO4)4and Na3In2As3O12. The structure model is supported by bond-valence-sum (BVS) and charge-distribution CHARDI methods. β-Na4Cu(MoO4)3is compared and discussed with the K4Cu(MoO4)3and α-Na4Cu(MoO4)3structures.

scholarly journals Redetermination of Dy3Ni from single-crystal X-ray data

2013 ◽  
Vol 69 (11) ◽  
pp. i80-i80
Author(s):  
Volodymyr Levytskyy ◽  
Volodymyr Babizhetskyy ◽  
Bohdan Kotur ◽  
Volodymyr Smetana
Keyword(s):  
Single Crystal ◽  
Structure Type ◽  
Site Symmetry ◽  
Asymmetric Unit ◽  
X Ray Diffraction ◽  
X Ray ◽  
Wyckoff Position ◽  
Tricapped Trigonal Prism ◽  
Anisotropic Displacement Parameters

The classification of the title compound, tridysprosium nickel, into the Fe3C (or Al3Ni) structure type has been deduced from powder X-ray diffraction data with lattice parameters reported in a previous study [Lemaire & Paccard (1967).Bull. Soc. Fr. Mineral. Cristallogr.40, 311–315]. The current re-investigation of Dy3Ni based on single-crystal X-ray data revealed atomic positional parameters and anisotropic displacement parameters with high precision. The asymmetric unit consists of two Dy and one Ni atoms. One Dy atom has site symmetry .m. (Wyckoff position 4c) and is surrounded by twelve Dy and three Ni atoms. The other Dy atom (site symmetry 1, 8d) has eleven Dy and three Ni atoms as neighbours, forming a distorted Frank–Kasper polyhedron. The coordination polyhedron of the Ni atom (.m., 4c) is a tricapped trigonal prism formed by nine Dy atoms.

scholarly journals Olivine-type NaCd(AsO4)

2013 ◽  
Vol 69 (11) ◽  
pp. i75-i75 ◽  
Author(s):  
Matthias Weil
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Structure Type ◽  
Site Symmetry ◽  
Space Group ◽  
Tetrahedral Voids ◽  
Hexagonal Closed Packed

The title compound, sodium cadmium orthoarsenate, adopts the olivine [Mg2(SiO4)] structure type in space groupPnma, with Na (site symmetry -1) and Cd (.m.) replacing the two Mg positions, and the AsO4tetrahedron (.m.) the SiO4tetrahedron. The crystal structure is made up of a nearly hexagonal closed-packed arrangement of O atoms stacked along [001]. The Na and Cd atoms occupy one half of the octahedral voids in alternate layers stacked along [100], and one eighth of the tetrahedral voids are occupied by As atoms.

Revised phase diagram for the Nd–Pt system from 35 to 85 at% platinum

2010 ◽  
Vol 43 (1) ◽  
pp. 33-37 ◽  
Author(s):  
Ch. F. Xu ◽  
Z. F. Gu ◽  
G. Cheng ◽  
H. Y. Zhou ◽  
Z. M. Wang ◽  
...  
Keyword(s):  
Thermal Analysis ◽  
Phase Diagram ◽  
Differential Thermal Analysis ◽  
Binary System ◽  
Homogeneity Range ◽  
Low Temperatures ◽  
Polymorphic Transformation ◽  
Structure Type ◽  
X Ray Diffraction ◽  
X Ray

The phase diagram of the Nd–Pt system from 35 to 85 at%Pt has been revised using X-ray diffraction and differential thermal analysis. It is found that the Nd3Pt4phase with the rhombohedral Pd4Pu3structure type is unstable and decomposes into the two neighboring phases NdPt and NdPt2at temperatures ranging approximately from 583 to 1123 K. It is confirmed that the homogeneity range for the Laves phase NdPt2extends from about 68.5 to 75.3 at%Pt in the Nd–Pt binary system. The polymorphic transformation temperature of α-NdPt ⇌ β-NdPt is about 623 K, where the α-NdPt phase with BFe type is stable at low temperatures and the β-NdPt phase with BCr type at high temperatures.

scholarly journals Redetermination of Mg2B25 based on single-crystal X-ray data

2012 ◽  
Vol 68 (6) ◽  
pp. i50-i50 ◽  
Author(s):  
Luca Bindi ◽  
Alessandro Figini Albisetti ◽  
Giovanni Giunchi ◽  
Luciana Malpezzi ◽  
Norberto Masciocchi
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Diffraction Data ◽  
Structural Model ◽  
Structure Type ◽  
Site Symmetry ◽  
Metal Boride ◽  
X Ray Diffraction ◽  
X Ray ◽  
Anisotropic Displacement Parameters

The crystal structure of Mg2B25, dimagnesium pentaeicosaboride, was reexamined from single-crystal X-ray diffraction data. The structural model previously reported on the basis of powder X-ray diffraction data [Giunchi et al. (2006). Solid State Sci. 8, 1202–1208] has been confirmed, although a much higher precision refinement was achieved, leading to much smaller standard uncertainties on bond lengths and refined occupancy factors. Moreover, all atoms were refined with anisotropic displacement parameters. Mg2B25 crystallizes in the β-boron structure type and is isostructural with other rhombohedral compounds of the boron-rich metal boride family. Magnesium atoms are found in interstitial sites on special positions (two with site symmetry .m, one with .2 and one with 3m), all with partial occupancies.

A new ternary indide, Ce5Pt2In4, with the Lu5Ni2In4 structure type

2006 ◽  
Vol 62 (4) ◽  
pp. i80-i82 ◽  
Author(s):  
Anna I. Tursina ◽  
Zhanaphiya M. Kurenbaeva ◽  
Denis V. Shtepa ◽  
Sergei N. Nesterenko ◽  
Henri Noël
Keyword(s):  
Title Compound ◽  
Structure Type ◽  
Site Symmetry ◽  
Space Group

The intermetallic title compound, pentacerium diplatinum tetraindide, crystallizes in space group Pbam and adopts the Lu5Ni2In4 structure type. One Ce atom exhibits site symmetry 2/m and all other atoms (two Ce, one Pt and two In) are located on mirror planes.

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