Ba4 YZr3 F23 and Ba4 LnZr3 F23 : a new noncentrosymmetric potential host structure type for optical devices
The first ternary BaF2–Ln(Y)F3–ZrF4 phases crystallizing near the composition range of fluoride glasses, namely Ba4 YZr3 F23(barium yttrium fluoridozirconate) and isotypic Ba4 LnZr3 F23(Ln = Yb, Er and Nd), have been synthesized. The crystal structure of Ba4 YZr3 F23 cannot be correctly determined in the centrosymmetric space group Pnma( R1 = 0.09); it is preferably described in the noncentrosymmetric space group Pn21 a( R1 = 0.028). All cations are located at y= 0.25–0.29 and 0.75–0.79. This new structure type is formed by infinite {[YZr3 F23]8−} n columns associating, along [001], YF9 tricapped trigonal prisms, ZrF8 dodecahedra and ZrF7 polyhedra. These columns are interconnected via BaF10+1 and BaF12 irregular polyhedra..
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2019 |
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| Erschienen: |
2019 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:75 |
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| Enthalten in: |
Acta Crystallographica Section C - 75(2019), 11, Seite 1488-1493 |
| Beteiligte Personen: |
Laval, Jean-Paul [VerfasserIn] |
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| BKL: |
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| Umfang: |
5 |
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| doi: |
10.1107/S2053229619013081 |
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| funding: |
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| Förderinstitution / Projekttitel: |
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| 520 | |a The first ternary BaF2–Ln(Y)F3–ZrF4 phases crystallizing near the composition range of fluoride glasses, namely Ba4 YZr3 F23(barium yttrium fluoridozirconate) and isotypic Ba4 LnZr3 F23(Ln = Yb, Er and Nd), have been synthesized. The crystal structure of Ba4 YZr3 F23 cannot be correctly determined in the centrosymmetric space group Pnma( R1 = 0.09); it is preferably described in the noncentrosymmetric space group Pn21 a( R1 = 0.028). All cations are located at y= 0.25–0.29 and 0.75–0.79. This new structure type is formed by infinite {[YZr3 F23]8−} n columns associating, along [001], YF9 tricapped trigonal prisms, ZrF8 dodecahedra and ZrF7 polyhedra. These columns are interconnected via BaF10+1 and BaF12 irregular polyhedra. | ||
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