Ca 14 FeAs 11 – A structure comprising structural motifs of iron‐based superconductors and Ca‐As Zintl phases
Ca 14 FeAs 11 is the first iron‐containing representative of the Ca 14 AlSb 11 structure type and the first compound with isolated FeAs 4 tetrahedra. It can be regarded as a salt‐like compound containing isolated [FeAs 4 ] 9− tetrahedra, linear [As 3 ] 7− units, isolated As 3− anions and Ca 2+ catio...
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| Veröffentlicht in: | Zeitschrift für anorganische und allgemeine Chemie (1950) 2022-12, Vol.648 (23) |
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| creator | Hoffmann, Andrea V. Fässler, Thomas F. Hlukhyy, Viktor |
| description | Ca
14
FeAs
11
is the first iron‐containing representative of the Ca
14
AlSb
11
structure type and the first compound with isolated FeAs
4
tetrahedra. It can be regarded as a salt‐like compound containing isolated [FeAs
4
]
9−
tetrahedra, linear [As
3
]
7−
units, isolated As
3−
anions and Ca
2+
cations and thus is a borderline compound between binary Fe−As intermetallics and salt‐like calcium arsenides. Ca
14
FeAs
11
is obtained by a two‐step high‐temperature reaction, in which preformed FeAs alloy is heated with Ca in the presence of additional As in a sealed silica tube. Structure determination from single crystals at 150 K reveal the Ca
14
AlSb
11
structure type with space group
I
4
1
/
acd
(
Z
=8,
a
=15.6268(2) Å,
c
=20.9781(5) Å, and
V
=5122.79(15) Å
3
). Band structure calculations predict metallic properties with strong contribution of Fe orbitals to the density of states at the Fermi level. |
| doi_str_mv | 10.1002/zaac.202200168 |
| format | Article |
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14
FeAs
11
is the first iron‐containing representative of the Ca
14
AlSb
11
structure type and the first compound with isolated FeAs
4
tetrahedra. It can be regarded as a salt‐like compound containing isolated [FeAs
4
]
9−
tetrahedra, linear [As
3
]
7−
units, isolated As
3−
anions and Ca
2+
cations and thus is a borderline compound between binary Fe−As intermetallics and salt‐like calcium arsenides. Ca
14
FeAs
11
is obtained by a two‐step high‐temperature reaction, in which preformed FeAs alloy is heated with Ca in the presence of additional As in a sealed silica tube. Structure determination from single crystals at 150 K reveal the Ca
14
AlSb
11
structure type with space group
I
4
1
/
acd
(
Z
=8,
a
=15.6268(2) Å,
c
=20.9781(5) Å, and
V
=5122.79(15) Å
3
). Band structure calculations predict metallic properties with strong contribution of Fe orbitals to the density of states at the Fermi level.</description><identifier>ISSN: 0044-2313</identifier><identifier>EISSN: 1521-3749</identifier><identifier>DOI: 10.1002/zaac.202200168</identifier><language>eng</language><ispartof>Zeitschrift für anorganische und allgemeine Chemie (1950), 2022-12, Vol.648 (23)</ispartof><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c848-2af72d9af445566642be369b7d7b8dc552a7c6a7c546839d3887d8620dbb10733</citedby><cites>FETCH-LOGICAL-c848-2af72d9af445566642be369b7d7b8dc552a7c6a7c546839d3887d8620dbb10733</cites><orcidid>0000-0001-9460-8882</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,27924,27925</link.rule.ids></links><search><creatorcontrib>Hoffmann, Andrea V.</creatorcontrib><creatorcontrib>Fässler, Thomas F.</creatorcontrib><creatorcontrib>Hlukhyy, Viktor</creatorcontrib><title>Ca 14 FeAs 11 – A structure comprising structural motifs of iron‐based superconductors and Ca‐As Zintl phases</title><title>Zeitschrift für anorganische und allgemeine Chemie (1950)</title><description>Ca
14
FeAs
11
is the first iron‐containing representative of the Ca
14
AlSb
11
structure type and the first compound with isolated FeAs
4
tetrahedra. It can be regarded as a salt‐like compound containing isolated [FeAs
4
]
9−
tetrahedra, linear [As
3
]
7−
units, isolated As
3−
anions and Ca
2+
cations and thus is a borderline compound between binary Fe−As intermetallics and salt‐like calcium arsenides. Ca
14
FeAs
11
is obtained by a two‐step high‐temperature reaction, in which preformed FeAs alloy is heated with Ca in the presence of additional As in a sealed silica tube. Structure determination from single crystals at 150 K reveal the Ca
14
AlSb
11
structure type with space group
I
4
1
/
acd
(
Z
=8,
a
=15.6268(2) Å,
c
=20.9781(5) Å, and
V
=5122.79(15) Å
3
). Band structure calculations predict metallic properties with strong contribution of Fe orbitals to the density of states at the Fermi level.</description><issn>0044-2313</issn><issn>1521-3749</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2022</creationdate><recordtype>article</recordtype><recordid>eNo9kM9Kw0AQhxdRsFavnucFUvf_bo4lWC0UvPTkJWx2E4202bKTHvTURxB8wz6JW5QehoH5ffxgPkLuGZ0xSvnDl3N-xinnlDJtL8iEKc4KYWR5SSaUSllwwcQ1uUH8oJmhSk0IVg6YhEU7R2AMjocfmAOOae_HfWrBx-0u9dgPb-ej28A2jn2HEDvoUxyOh-_GYRsA97s2-TiEzMWE4IYAlctx7n7th3EDu_cM4i256twG27v_PSXrxeO6ei5WL0_Lar4qvJW24K4zPJSuk1IprbXkTSt02ZhgGhu8UtwZr_Moqa0og7DWBKs5DU3DqBFiSmZ_tT5FxNR2dX5l69JnzWh9MlafjNVnY-IX5hFhvQ</recordid><startdate>20221213</startdate><enddate>20221213</enddate><creator>Hoffmann, Andrea V.</creator><creator>Fässler, Thomas F.</creator><creator>Hlukhyy, Viktor</creator><scope>AAYXX</scope><scope>CITATION</scope><orcidid>https://orcid.org/0000-0001-9460-8882</orcidid></search><sort><creationdate>20221213</creationdate><title>Ca 14 FeAs 11 – A structure comprising structural motifs of iron‐based superconductors and Ca‐As Zintl phases</title><author>Hoffmann, Andrea V. ; Fässler, Thomas F. ; Hlukhyy, Viktor</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c848-2af72d9af445566642be369b7d7b8dc552a7c6a7c546839d3887d8620dbb10733</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2022</creationdate><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Hoffmann, Andrea V.</creatorcontrib><creatorcontrib>Fässler, Thomas F.</creatorcontrib><creatorcontrib>Hlukhyy, Viktor</creatorcontrib><collection>CrossRef</collection><jtitle>Zeitschrift für anorganische und allgemeine Chemie (1950)</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Hoffmann, Andrea V.</au><au>Fässler, Thomas F.</au><au>Hlukhyy, Viktor</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Ca 14 FeAs 11 – A structure comprising structural motifs of iron‐based superconductors and Ca‐As Zintl phases</atitle><jtitle>Zeitschrift für anorganische und allgemeine Chemie (1950)</jtitle><date>2022-12-13</date><risdate>2022</risdate><volume>648</volume><issue>23</issue><issn>0044-2313</issn><eissn>1521-3749</eissn><abstract>Ca
14
FeAs
11
is the first iron‐containing representative of the Ca
14
AlSb
11
structure type and the first compound with isolated FeAs
4
tetrahedra. It can be regarded as a salt‐like compound containing isolated [FeAs
4
]
9−
tetrahedra, linear [As
3
]
7−
units, isolated As
3−
anions and Ca
2+
cations and thus is a borderline compound between binary Fe−As intermetallics and salt‐like calcium arsenides. Ca
14
FeAs
11
is obtained by a two‐step high‐temperature reaction, in which preformed FeAs alloy is heated with Ca in the presence of additional As in a sealed silica tube. Structure determination from single crystals at 150 K reveal the Ca
14
AlSb
11
structure type with space group
I
4
1
/
acd
(
Z
=8,
a
=15.6268(2) Å,
c
=20.9781(5) Å, and
V
=5122.79(15) Å
3
). Band structure calculations predict metallic properties with strong contribution of Fe orbitals to the density of states at the Fermi level.</abstract><doi>10.1002/zaac.202200168</doi><orcidid>https://orcid.org/0000-0001-9460-8882</orcidid></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 0044-2313 |
| ispartof | Zeitschrift für anorganische und allgemeine Chemie (1950), 2022-12, Vol.648 (23) |
| issn | 0044-2313 1521-3749 |
| language | eng |
| recordid | cdi_crossref_primary_10_1002_zaac_202200168 |
| source | Wiley Journals |
| title | Ca 14 FeAs 11 – A structure comprising structural motifs of iron‐based superconductors and Ca‐As Zintl phases |
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