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Title: Synthesis and Structure of K3Mg20In14, a Stuffed Variant of the BaHg11 Structure Type with a Magnesium-Indium Network

Abstract

No abstract prepared.

Authors:
;
Publication Date:
Research Org.:
Ames Laboratory (AMES), Ames, IA
Sponsoring Org.:
USDOE Office of Science and Technology (OST) - (EM-50)
OSTI Identifier:
888515
Report Number(s):
IS-J 7119
Journal ID: ISSN 0020-1669; INOCAJ; TRN: US200618%%130
DOE Contract Number:
W-7405-Eng-82
Resource Type:
Journal Article
Resource Relation:
Journal Name: Inorganic Chemistry; Journal Volume: 45; Journal Issue: 10
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; SYNTHESIS; MORPHOLOGY; POTASSIUM ALLOYS; MAGNESIUM ALLOYS; INDIUM ALLOYS

Citation Formats

Bin Li, and John D. Corbett. Synthesis and Structure of K3Mg20In14, a Stuffed Variant of the BaHg11 Structure Type with a Magnesium-Indium Network. United States: N. p., 2006. Web.
Bin Li, & John D. Corbett. Synthesis and Structure of K3Mg20In14, a Stuffed Variant of the BaHg11 Structure Type with a Magnesium-Indium Network. United States.
Bin Li, and John D. Corbett. Tue . "Synthesis and Structure of K3Mg20In14, a Stuffed Variant of the BaHg11 Structure Type with a Magnesium-Indium Network". United States. doi:.
@article{osti_888515,
title = {Synthesis and Structure of K3Mg20In14, a Stuffed Variant of the BaHg11 Structure Type with a Magnesium-Indium Network},
author = {Bin Li and John D. Corbett},
abstractNote = {No abstract prepared.},
doi = {},
journal = {Inorganic Chemistry},
number = 10,
volume = 45,
place = {United States},
year = {Tue Feb 07 00:00:00 EST 2006},
month = {Tue Feb 07 00:00:00 EST 2006}
}
  • Reactions of Zr, ZrCl{sub 4}, and MnCl{sub 2} in welded Ta containers at 800 {degrees}C produce the title phase in major amounts. A comparable electronic and structural configuration is also found with interstitial boron, but not in isostructural compounds with other interstitial or alkali metal atoms. The crystal structure of Cs{sub 3}(ZrCl{sub 5})[Zr{sub 6}(Mn)Cl{sub 12}]Cl{sub 6/2} was established by single-crystal diffraction (R3c, Z = 6, a = 12.8924(1) {angstrom}, c = 35.187 (6) {angstrom}, R/R{sub w} = 1.9/2.3% for 920 data to 20 = 60{degrees}). The structure contains a three-dimensional array of 18-electron Zr{sub 6}(Mn)Cl{sub 12} clusters interbridged by 6/2more » Cl{sup a-a} atoms at zirconium vertices. This represents a sixth independent structure type for M{sub 6}X{sub 15} bridged cluster networks. The structure derives from a ReO{sub 3}-like primitive lattice of the cubic Nb{sub 6}F{sub 15} structure with linear bridges that has been given a {open_quotes}trigonal twist{close_quotes} about [111] to form a rhombohedral (tilted) perovskite arrangement with the novel ZrCl{sub 5}{sup {minus}} at the body center. This new D{sub 3h} anion does not share halogen with the rest of the structure and appears to be stabilized by a particularly good fit within the network. A double ccp cluster arrangement along c{sub H} provides for a coherent intercluster bridging arrangement. The cesium cations necessitated by the anionic network and by the CsZrCl{sub 5} component are bound in well-suited 12-coordinate sites among the chlorines.« less
  • No abstract prepared.
  • Reactions of the elements in proportions near 37.3 at. % Na at [approximately] 500, 410, and then 250C readily produce the well-crystallized title phase. The tetragonal structure at the indium-rich limit was solved by standard single-crystal X-ray means at room temperature. The network structure consists of interbonded clusters - the first example of closo-In[sub 16] icosioctahedra ([anti 4]m2 symmetry) that are 8-exo-bonded, 10-bonded nido icosahedra (fractional occupancy of the eleventh cluster site generates [approximately]36% 1,3-arachno units) and four-bonded indium atoms in pairs of triangle (In[sub 16]:In[sub 11(10)]:In[sub 1] = 1:4:12). Extended Hueckel calculations that include significant interactions between directional nonbondingmore » pairs on atoms in neighboring In[sub 16] and In[sub 11] units indicate 2n + 4 skeletal electrons are necessary for each, with no nonbonding pairs on the latter, and a closed shell for 504 electrons per cell vs 507 for the refined stoichiometry. Observed properties are in good agreement; at the indium-rich limit, the phase is a poor metal ([rho][sub 295] [approximately] 540 [mu][Omega][center dot]cm) with a Pauli-like paramagnetism [chi][sub M] = (1.7 [minus] 1.8) [times] 10[sup [minus]4] emu/mol after correction for core and orbital diamagnetism. The intercluster interactions appear to be closely correlated with a small region of nonstoichiometry and changes in the c lattice parameter. Some general factors in a diverse indium cluster chemistry are noted.« less
  • No abstract prepared.