Orthorhombic HP‐ RE OF ( RE = Pr, Nd, Sm – Gd) – High‐Pressure Syntheses and Single‐Crystal Structures ( RE = Nd, Sm, Eu)
High‐pressure modifications of the rare earth oxide fluorides RE OF ( RE = Pr, Nd, Sm – Gd) were successfully synthesized under conditions of 11 GPa and 1200 °C applying the multianvil high‐pressure/high‐temperature technique. Single crystals of HP‐ RE OF ( RE = Nd, Sm, Eu) were obtained making it p...
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| Veröffentlicht in: | Zeitschrift für anorganische und allgemeine Chemie (1950) 2016-10, Vol.642 (20), p.1134-1142 |
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| container_title | Zeitschrift für anorganische und allgemeine Chemie (1950) |
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| creator | Glätzle, Matthias Schauperl, Michael Hejny, Clivia Tribus, Martina Liedl, Klaus R. Huppertz, Hubert |
| description | High‐pressure modifications of the rare earth oxide fluorides
RE
OF (
RE
= Pr, Nd, Sm – Gd) were successfully synthesized under conditions of 11 GPa and 1200 °C applying the multianvil high‐pressure/high‐temperature technique. Single crystals of HP‐
RE
OF (
RE
= Nd, Sm, Eu) were obtained making it possible to analyze the products by means of single‐crystal X‐ray diffraction. The compounds HP‐
RE
OF (
RE
= Nd, Sm, Eu) crystallize in the orthorhombic
α
‐PbCl
2
‐type structure (space group
Pnma
, No. 62,
Z
= 4) with the parameters
a
= 632.45(3),
b
= 381.87(2),
c
= 699.21(3) pm,
V
= 0.16887(2) nm
3
,
R
1
= 0.0156, and
wR
2
= 0.0382 for HP‐NdOF,
a
= 624.38(3),
b
= 376.87(2),
c
= 689.53(4) pm,
V
= 0.16225(2) nm
3
,
R
1
= 0.0141, and
wR
2
= 0.0323 for HP‐SmOF, and
a
= 620.02(4),
b
= 374.24(3),
c
= 686.82(5) pm,
V
= 0.15937(2) nm
3
,
R
1
= 0.0177, and
wR
2
= 0.0288 for HP‐EuOF. Calculations of the bond valence sums clearly showed that the oxygen atoms occupy the tetrahedrally coordinated position, whereas the fluorine atoms are fivefold coordinated in form of distorted square‐pyramids. The crystal structures and properties of HP‐
RE
OF (
RE
= Nd, Sm, Eu) are discussed and compared to the isostructural phases and the normal‐pressure modifications of
RE
OF (
RE
= Nd, Sm, Eu). Furthermore, results of investigations by EDX and Raman measurements including quantum mechanical calculations are presented. |
| doi_str_mv | 10.1002/zaac.201600250 |
| format | Article |
| fullrecord | <record><control><sourceid>crossref</sourceid><recordid>TN_cdi_crossref_primary_10_1002_zaac_201600250</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>10_1002_zaac_201600250</sourcerecordid><originalsourceid>FETCH-LOGICAL-c840-cbec37a210c9ce1460edbbc3ab7178507f7cc5cb64cececd3a4a34c082d7d0fb3</originalsourceid><addsrcrecordid>eNo9kM1Kw0AUhQdRsFa3ru_SQhPvZCZNu3AhpT9CscV0H2buTJpIf2QmXdRVwRcQfMM-ialVuYuPyzl8i8PYLceQI0b370pRGCHv1E-MZ6zB44gHIpG9c9ZAlDKIBBeX7Mr7V0TkGMcN9jF1VbFxxWalS4Lx7LD_hJcBTIdwd-QDzFwbnk0b0hUc9l8wMq0fjstFUXdnznq_dRbS3boqrLce1NpAWq4XS1vnfbfzlVpCWrktVXXR_3lPzjYMtq1rdpGrpbc3v2yy-XAw74-DyXT01H-cBNSVGJC2JBIVcaQeWS47aI3WJJROeNKNMckToph0R5KtzwgllZCE3cgkBnMtmiw8acltvHc2z95cuVJul3HMjgtmxwWz_wXFN3CKZls</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype></control><display><type>article</type><title>Orthorhombic HP‐ RE OF ( RE = Pr, Nd, Sm – Gd) – High‐Pressure Syntheses and Single‐Crystal Structures ( RE = Nd, Sm, Eu)</title><source>Wiley Online Library All Journals</source><creator>Glätzle, Matthias ; Schauperl, Michael ; Hejny, Clivia ; Tribus, Martina ; Liedl, Klaus R. ; Huppertz, Hubert</creator><creatorcontrib>Glätzle, Matthias ; Schauperl, Michael ; Hejny, Clivia ; Tribus, Martina ; Liedl, Klaus R. ; Huppertz, Hubert</creatorcontrib><description>High‐pressure modifications of the rare earth oxide fluorides
RE
OF (
RE
= Pr, Nd, Sm – Gd) were successfully synthesized under conditions of 11 GPa and 1200 °C applying the multianvil high‐pressure/high‐temperature technique. Single crystals of HP‐
RE
OF (
RE
= Nd, Sm, Eu) were obtained making it possible to analyze the products by means of single‐crystal X‐ray diffraction. The compounds HP‐
RE
OF (
RE
= Nd, Sm, Eu) crystallize in the orthorhombic
α
‐PbCl
2
‐type structure (space group
Pnma
, No. 62,
Z
= 4) with the parameters
a
= 632.45(3),
b
= 381.87(2),
c
= 699.21(3) pm,
V
= 0.16887(2) nm
3
,
R
1
= 0.0156, and
wR
2
= 0.0382 for HP‐NdOF,
a
= 624.38(3),
b
= 376.87(2),
c
= 689.53(4) pm,
V
= 0.16225(2) nm
3
,
R
1
= 0.0141, and
wR
2
= 0.0323 for HP‐SmOF, and
a
= 620.02(4),
b
= 374.24(3),
c
= 686.82(5) pm,
V
= 0.15937(2) nm
3
,
R
1
= 0.0177, and
wR
2
= 0.0288 for HP‐EuOF. Calculations of the bond valence sums clearly showed that the oxygen atoms occupy the tetrahedrally coordinated position, whereas the fluorine atoms are fivefold coordinated in form of distorted square‐pyramids. The crystal structures and properties of HP‐
RE
OF (
RE
= Nd, Sm, Eu) are discussed and compared to the isostructural phases and the normal‐pressure modifications of
RE
OF (
RE
= Nd, Sm, Eu). Furthermore, results of investigations by EDX and Raman measurements including quantum mechanical calculations are presented.</description><identifier>ISSN: 0044-2313</identifier><identifier>EISSN: 1521-3749</identifier><identifier>DOI: 10.1002/zaac.201600250</identifier><language>eng</language><ispartof>Zeitschrift für anorganische und allgemeine Chemie (1950), 2016-10, Vol.642 (20), p.1134-1142</ispartof><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c840-cbec37a210c9ce1460edbbc3ab7178507f7cc5cb64cececd3a4a34c082d7d0fb3</citedby><cites>FETCH-LOGICAL-c840-cbec37a210c9ce1460edbbc3ab7178507f7cc5cb64cececd3a4a34c082d7d0fb3</cites><orcidid>0000-0002-2098-6087</orcidid></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>Glätzle, Matthias</creatorcontrib><creatorcontrib>Schauperl, Michael</creatorcontrib><creatorcontrib>Hejny, Clivia</creatorcontrib><creatorcontrib>Tribus, Martina</creatorcontrib><creatorcontrib>Liedl, Klaus R.</creatorcontrib><creatorcontrib>Huppertz, Hubert</creatorcontrib><title>Orthorhombic HP‐ RE OF ( RE = Pr, Nd, Sm – Gd) – High‐Pressure Syntheses and Single‐Crystal Structures ( RE = Nd, Sm, Eu)</title><title>Zeitschrift für anorganische und allgemeine Chemie (1950)</title><description>High‐pressure modifications of the rare earth oxide fluorides
RE
OF (
RE
= Pr, Nd, Sm – Gd) were successfully synthesized under conditions of 11 GPa and 1200 °C applying the multianvil high‐pressure/high‐temperature technique. Single crystals of HP‐
RE
OF (
RE
= Nd, Sm, Eu) were obtained making it possible to analyze the products by means of single‐crystal X‐ray diffraction. The compounds HP‐
RE
OF (
RE
= Nd, Sm, Eu) crystallize in the orthorhombic
α
‐PbCl
2
‐type structure (space group
Pnma
, No. 62,
Z
= 4) with the parameters
a
= 632.45(3),
b
= 381.87(2),
c
= 699.21(3) pm,
V
= 0.16887(2) nm
3
,
R
1
= 0.0156, and
wR
2
= 0.0382 for HP‐NdOF,
a
= 624.38(3),
b
= 376.87(2),
c
= 689.53(4) pm,
V
= 0.16225(2) nm
3
,
R
1
= 0.0141, and
wR
2
= 0.0323 for HP‐SmOF, and
a
= 620.02(4),
b
= 374.24(3),
c
= 686.82(5) pm,
V
= 0.15937(2) nm
3
,
R
1
= 0.0177, and
wR
2
= 0.0288 for HP‐EuOF. Calculations of the bond valence sums clearly showed that the oxygen atoms occupy the tetrahedrally coordinated position, whereas the fluorine atoms are fivefold coordinated in form of distorted square‐pyramids. The crystal structures and properties of HP‐
RE
OF (
RE
= Nd, Sm, Eu) are discussed and compared to the isostructural phases and the normal‐pressure modifications of
RE
OF (
RE
= Nd, Sm, Eu). Furthermore, results of investigations by EDX and Raman measurements including quantum mechanical calculations are presented.</description><issn>0044-2313</issn><issn>1521-3749</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2016</creationdate><recordtype>article</recordtype><recordid>eNo9kM1Kw0AUhQdRsFa3ru_SQhPvZCZNu3AhpT9CscV0H2buTJpIf2QmXdRVwRcQfMM-ialVuYuPyzl8i8PYLceQI0b370pRGCHv1E-MZ6zB44gHIpG9c9ZAlDKIBBeX7Mr7V0TkGMcN9jF1VbFxxWalS4Lx7LD_hJcBTIdwd-QDzFwbnk0b0hUc9l8wMq0fjstFUXdnznq_dRbS3boqrLce1NpAWq4XS1vnfbfzlVpCWrktVXXR_3lPzjYMtq1rdpGrpbc3v2yy-XAw74-DyXT01H-cBNSVGJC2JBIVcaQeWS47aI3WJJROeNKNMckToph0R5KtzwgllZCE3cgkBnMtmiw8acltvHc2z95cuVJul3HMjgtmxwWz_wXFN3CKZls</recordid><startdate>201610</startdate><enddate>201610</enddate><creator>Glätzle, Matthias</creator><creator>Schauperl, Michael</creator><creator>Hejny, Clivia</creator><creator>Tribus, Martina</creator><creator>Liedl, Klaus R.</creator><creator>Huppertz, Hubert</creator><scope>AAYXX</scope><scope>CITATION</scope><orcidid>https://orcid.org/0000-0002-2098-6087</orcidid></search><sort><creationdate>201610</creationdate><title>Orthorhombic HP‐ RE OF ( RE = Pr, Nd, Sm – Gd) – High‐Pressure Syntheses and Single‐Crystal Structures ( RE = Nd, Sm, Eu)</title><author>Glätzle, Matthias ; Schauperl, Michael ; Hejny, Clivia ; Tribus, Martina ; Liedl, Klaus R. ; Huppertz, Hubert</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c840-cbec37a210c9ce1460edbbc3ab7178507f7cc5cb64cececd3a4a34c082d7d0fb3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2016</creationdate><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Glätzle, Matthias</creatorcontrib><creatorcontrib>Schauperl, Michael</creatorcontrib><creatorcontrib>Hejny, Clivia</creatorcontrib><creatorcontrib>Tribus, Martina</creatorcontrib><creatorcontrib>Liedl, Klaus R.</creatorcontrib><creatorcontrib>Huppertz, Hubert</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>Glätzle, Matthias</au><au>Schauperl, Michael</au><au>Hejny, Clivia</au><au>Tribus, Martina</au><au>Liedl, Klaus R.</au><au>Huppertz, Hubert</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Orthorhombic HP‐ RE OF ( RE = Pr, Nd, Sm – Gd) – High‐Pressure Syntheses and Single‐Crystal Structures ( RE = Nd, Sm, Eu)</atitle><jtitle>Zeitschrift für anorganische und allgemeine Chemie (1950)</jtitle><date>2016-10</date><risdate>2016</risdate><volume>642</volume><issue>20</issue><spage>1134</spage><epage>1142</epage><pages>1134-1142</pages><issn>0044-2313</issn><eissn>1521-3749</eissn><abstract>High‐pressure modifications of the rare earth oxide fluorides
RE
OF (
RE
= Pr, Nd, Sm – Gd) were successfully synthesized under conditions of 11 GPa and 1200 °C applying the multianvil high‐pressure/high‐temperature technique. Single crystals of HP‐
RE
OF (
RE
= Nd, Sm, Eu) were obtained making it possible to analyze the products by means of single‐crystal X‐ray diffraction. The compounds HP‐
RE
OF (
RE
= Nd, Sm, Eu) crystallize in the orthorhombic
α
‐PbCl
2
‐type structure (space group
Pnma
, No. 62,
Z
= 4) with the parameters
a
= 632.45(3),
b
= 381.87(2),
c
= 699.21(3) pm,
V
= 0.16887(2) nm
3
,
R
1
= 0.0156, and
wR
2
= 0.0382 for HP‐NdOF,
a
= 624.38(3),
b
= 376.87(2),
c
= 689.53(4) pm,
V
= 0.16225(2) nm
3
,
R
1
= 0.0141, and
wR
2
= 0.0323 for HP‐SmOF, and
a
= 620.02(4),
b
= 374.24(3),
c
= 686.82(5) pm,
V
= 0.15937(2) nm
3
,
R
1
= 0.0177, and
wR
2
= 0.0288 for HP‐EuOF. Calculations of the bond valence sums clearly showed that the oxygen atoms occupy the tetrahedrally coordinated position, whereas the fluorine atoms are fivefold coordinated in form of distorted square‐pyramids. The crystal structures and properties of HP‐
RE
OF (
RE
= Nd, Sm, Eu) are discussed and compared to the isostructural phases and the normal‐pressure modifications of
RE
OF (
RE
= Nd, Sm, Eu). Furthermore, results of investigations by EDX and Raman measurements including quantum mechanical calculations are presented.</abstract><doi>10.1002/zaac.201600250</doi><tpages>9</tpages><orcidid>https://orcid.org/0000-0002-2098-6087</orcidid></addata></record> |
| fulltext | fulltext |
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| issn | 0044-2313 1521-3749 |
| language | eng |
| recordid | cdi_crossref_primary_10_1002_zaac_201600250 |
| source | Wiley Online Library All Journals |
| title | Orthorhombic HP‐ RE OF ( RE = Pr, Nd, Sm – Gd) – High‐Pressure Syntheses and Single‐Crystal Structures ( RE = Nd, Sm, Eu) |
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