A new high-pressure polymorph of KMoOF
In this paper, a new high-pressure (HP) polymorph of the otherwise known oxyfluoride K 2 MoO 2 F 4 is presented. The crystal structure was determined by use of single-crystal X-ray diffractometry and its features are described in detail herein. HP-K 2 MoO 2 F 4 crystallizes in the monoclinic space g...
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| Veröffentlicht in: | Dalton transactions : an international journal of inorganic chemistry 2023-11, Vol.52 (46), p.17514-17523 |
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| container_issue | 46 |
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| container_title | Dalton transactions : an international journal of inorganic chemistry |
| container_volume | 52 |
| creator | Zimmerhofer, Fabian Huppertz, Hubert |
| description | In this paper, a new high-pressure (HP) polymorph of the otherwise known oxyfluoride K
2
MoO
2
F
4
is presented. The crystal structure was determined by use of single-crystal X-ray diffractometry and its features are described in detail herein. HP-K
2
MoO
2
F
4
crystallizes in the monoclinic space group
C
2/
m
(no. 12) with the cell parameters
a
= 13.8579(5),
b
= 5.8109(2),
c
= 6.9442(3) Å,
β
= 90.36(1)°,
V
= 559.18(4) Å
3
, and
Z
= 4 at
T
= 301(2) K. Bond valence (BV) and charge distribution (CHARDI) calculations were carried out to support the assignment of oxygen and fluorine to the various anion positions and Madelung part of lattice energy (MAPLE) calculations were used to validate the structure model. Infrared spectroscopy provided further information on the structure and water content of the inseparable side phase.
This paper reports on the high-pressure/high-temperature synthesis of a new modification of the oxyfluoride K
2
MoO
2
F
4
. A detailed description and evaluation of its unique crystal structure is presented. |
| doi_str_mv | 10.1039/d3dt02992a |
| format | Article |
| fullrecord | <record><control><sourceid>rsc</sourceid><recordid>TN_cdi_rsc_primary_d3dt02992a</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>d3dt02992a</sourcerecordid><originalsourceid>FETCH-rsc_primary_d3dt02992a3</originalsourceid><addsrcrecordid>eNpjYBAyNNAzNDC21E8xTikxMLK0NEpkYuA0NDE317U0MjZhgbONzDgYuIqLswwMjIwMTI04GdQcFfJSyxUyMtMzdAuKUouLS4tSFQrycypz84sKMhTy0xS8ffP93XgYWNMSc4pTeaE0N4Osm2uIs4duUXFyfEFRZm5iUWU8wnJjQvIAdGQwxg</addsrcrecordid><sourcetype>Publisher</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype></control><display><type>article</type><title>A new high-pressure polymorph of KMoOF</title><source>Royal Society Of Chemistry Journals 2008-</source><source>Alma/SFX Local Collection</source><creator>Zimmerhofer, Fabian ; Huppertz, Hubert</creator><creatorcontrib>Zimmerhofer, Fabian ; Huppertz, Hubert</creatorcontrib><description>In this paper, a new high-pressure (HP) polymorph of the otherwise known oxyfluoride K
2
MoO
2
F
4
is presented. The crystal structure was determined by use of single-crystal X-ray diffractometry and its features are described in detail herein. HP-K
2
MoO
2
F
4
crystallizes in the monoclinic space group
C
2/
m
(no. 12) with the cell parameters
a
= 13.8579(5),
b
= 5.8109(2),
c
= 6.9442(3) Å,
β
= 90.36(1)°,
V
= 559.18(4) Å
3
, and
Z
= 4 at
T
= 301(2) K. Bond valence (BV) and charge distribution (CHARDI) calculations were carried out to support the assignment of oxygen and fluorine to the various anion positions and Madelung part of lattice energy (MAPLE) calculations were used to validate the structure model. Infrared spectroscopy provided further information on the structure and water content of the inseparable side phase.
This paper reports on the high-pressure/high-temperature synthesis of a new modification of the oxyfluoride K
2
MoO
2
F
4
. A detailed description and evaluation of its unique crystal structure is presented.</description><identifier>ISSN: 1477-9226</identifier><identifier>EISSN: 1477-9234</identifier><identifier>DOI: 10.1039/d3dt02992a</identifier><ispartof>Dalton transactions : an international journal of inorganic chemistry, 2023-11, Vol.52 (46), p.17514-17523</ispartof><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,27922,27923</link.rule.ids></links><search><creatorcontrib>Zimmerhofer, Fabian</creatorcontrib><creatorcontrib>Huppertz, Hubert</creatorcontrib><title>A new high-pressure polymorph of KMoOF</title><title>Dalton transactions : an international journal of inorganic chemistry</title><description>In this paper, a new high-pressure (HP) polymorph of the otherwise known oxyfluoride K
2
MoO
2
F
4
is presented. The crystal structure was determined by use of single-crystal X-ray diffractometry and its features are described in detail herein. HP-K
2
MoO
2
F
4
crystallizes in the monoclinic space group
C
2/
m
(no. 12) with the cell parameters
a
= 13.8579(5),
b
= 5.8109(2),
c
= 6.9442(3) Å,
β
= 90.36(1)°,
V
= 559.18(4) Å
3
, and
Z
= 4 at
T
= 301(2) K. Bond valence (BV) and charge distribution (CHARDI) calculations were carried out to support the assignment of oxygen and fluorine to the various anion positions and Madelung part of lattice energy (MAPLE) calculations were used to validate the structure model. Infrared spectroscopy provided further information on the structure and water content of the inseparable side phase.
This paper reports on the high-pressure/high-temperature synthesis of a new modification of the oxyfluoride K
2
MoO
2
F
4
. A detailed description and evaluation of its unique crystal structure is presented.</description><issn>1477-9226</issn><issn>1477-9234</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2023</creationdate><recordtype>article</recordtype><sourceid/><recordid>eNpjYBAyNNAzNDC21E8xTikxMLK0NEpkYuA0NDE317U0MjZhgbONzDgYuIqLswwMjIwMTI04GdQcFfJSyxUyMtMzdAuKUouLS4tSFQrycypz84sKMhTy0xS8ffP93XgYWNMSc4pTeaE0N4Osm2uIs4duUXFyfEFRZm5iUWU8wnJjQvIAdGQwxg</recordid><startdate>20231128</startdate><enddate>20231128</enddate><creator>Zimmerhofer, Fabian</creator><creator>Huppertz, Hubert</creator><scope/></search><sort><creationdate>20231128</creationdate><title>A new high-pressure polymorph of KMoOF</title><author>Zimmerhofer, Fabian ; Huppertz, Hubert</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-rsc_primary_d3dt02992a3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><creationdate>2023</creationdate><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Zimmerhofer, Fabian</creatorcontrib><creatorcontrib>Huppertz, Hubert</creatorcontrib><jtitle>Dalton transactions : an international journal of inorganic chemistry</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Zimmerhofer, Fabian</au><au>Huppertz, Hubert</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>A new high-pressure polymorph of KMoOF</atitle><jtitle>Dalton transactions : an international journal of inorganic chemistry</jtitle><date>2023-11-28</date><risdate>2023</risdate><volume>52</volume><issue>46</issue><spage>17514</spage><epage>17523</epage><pages>17514-17523</pages><issn>1477-9226</issn><eissn>1477-9234</eissn><abstract>In this paper, a new high-pressure (HP) polymorph of the otherwise known oxyfluoride K
2
MoO
2
F
4
is presented. The crystal structure was determined by use of single-crystal X-ray diffractometry and its features are described in detail herein. HP-K
2
MoO
2
F
4
crystallizes in the monoclinic space group
C
2/
m
(no. 12) with the cell parameters
a
= 13.8579(5),
b
= 5.8109(2),
c
= 6.9442(3) Å,
β
= 90.36(1)°,
V
= 559.18(4) Å
3
, and
Z
= 4 at
T
= 301(2) K. Bond valence (BV) and charge distribution (CHARDI) calculations were carried out to support the assignment of oxygen and fluorine to the various anion positions and Madelung part of lattice energy (MAPLE) calculations were used to validate the structure model. Infrared spectroscopy provided further information on the structure and water content of the inseparable side phase.
This paper reports on the high-pressure/high-temperature synthesis of a new modification of the oxyfluoride K
2
MoO
2
F
4
. A detailed description and evaluation of its unique crystal structure is presented.</abstract><doi>10.1039/d3dt02992a</doi><tpages>1</tpages></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 1477-9226 |
| ispartof | Dalton transactions : an international journal of inorganic chemistry, 2023-11, Vol.52 (46), p.17514-17523 |
| issn | 1477-9226 1477-9234 |
| language | |
| recordid | cdi_rsc_primary_d3dt02992a |
| source | Royal Society Of Chemistry Journals 2008-; Alma/SFX Local Collection |
| title | A new high-pressure polymorph of KMoOF |
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