31
st
European Crystallographic Meeting • Oviedo, Spain 22-27 August
Acta Cryst. (2018). A74, e253
MS16-P02
Tunable crystal structure and proton
conductivity of lanthanide nitrilotris-
methylphosphonates
,QpV 5XL] 6DOFHGR
1
$XUHOLR &DEH]D 'tD]
1
0RQWVH %D]DJD *DUFtD
1
,
5RVDULR 0HUFHGHV 3pUH] &RORGUHUR
2
*DU\ +L[
2
(QULTXH 5DPtUH]
Losilla
1
3DVFXDO 2OLYHUD 3DVWRU
1
'HSDUWDPHQWR 4XtPLFD ,QRUJiQLFD &ULVWDORJUDItD \ 0LQHUDORJtD
)DFXOWDG GH &LHQFLDV 8QLYHUVLGDG GH 0iODJD 0iODJD 6SDLQ
:ROYHUKDPSWRQ 6FKRRO RI 6FLHQFHV )DFXOW\ RI 6FLHQFH DQG
(QJLQHHULQJ 8QLYHUVLW\ RI :ROYHUKDPSWRQ :ROYHUKDPSWRQ
8QLWHG .LQJGRP
email: inesrs@uma.es
0HWDO SKRVSKRQDWHV DUH PXOWLIXQFWLRQDO VROLGV ZLWK UH-
PDUNDEOH VWDELOLW\ DQG SURWRQ FRQGXFWLQJ SURSHUWLHV RZLQJ
WR WKHLU VWUXFWXUH LV XVXDOO\ FRPSRVHG RI H[WHQGHG K\GUR-
JHQERQG QHWZRUNV WKDW IDYRU SURWRQ WUDQVIHU SDWKZD\V >@
0RUHRYHU WKHVH SURSHUWLHV FDQ EH HQKDQFHG E\ DSSURSULDWH
PRGLソFDWLRQ RI WKH V\QWKHVLV FRQGLWLRQV > @
,Q WKLV FRPPXQLFDWLRQ D QHZ IDPLO\ RI LVRVWUXFWXUDO '
OD\HUHG FRPSRXQGV EDVHG RQ ODQWKDQLGH QLWULORWULVPHWK-
\OSKRVSKRQDWHV LV UHSRUWHG 7KHVH FRPSRXQGV KDYH EHHQ
LVRODWHG DW URRP WHPSHUDWXUH DQG KDYH WKH JHQHUDO IRUPXOD
/Q>1&+
2
)
32
+
2
)
2
32
++
2
2@62
ā+
2
2 /Q 3U 1G
6P (X *G 7E '\ +R (U DQG <E 7KH FRRUGLQDWLRQ HQ-
YLURQPHQW RI /Q
LV FRPSRVHG E\ HLJKW R[\JHQ DWRPV IURP
WKUHH GLIIHUHQW OLJDQGV DQG WZR R[\JHQV IURP ERXQG ZDWHUV
7KLV FRQQHFWLYLW\ FUHDWHV SRVLWLYH FKDUJHG OD\HUV FRQQHFWHG
WR VXOIDWH LRQV WKURXJK K\GURJHQERQGV 7KHVH FRPSRXQGV
VKRZ SURPLVLQJ SURWRQ FRQGXFWLYLW\ ZLWK YDOXHV UDQJLQJ
EHWZHHQ ā
-2
DQG ā
-2
S·cm
-1
DW & DQG 5+
DQG ORZ DFWLYDWLRQ HQHUJ\ FRUUHVSRQGLQJ WR *URWWKXVVW\SH
SURWRQ WUDQVIHU PHFKDQLVP ,Q DGGLWLRQ D VWUXFWXUDO WUDQV-
IRUPDWLRQ RFFXUV DW 7 ! & DFFRPSDQLHG E\ D UHPDUNDEOH
HQKDQFHG FRQGXFWLYLW\ 6WXGLHV RQ WKH VWUXFWXUHSURSHUWLHV
UHODWLRQVKLSV ZLOO EH GLVFXVVHG
5HIHUHQFHV
>@ 0HWDO SKRVSKRQDWH &KHPLVWU\ IURP V\QWKHVLV WR DSSOLFDWLRQV
VW HG HGLWHG E\ $ &OHDUソHOG . ' 'HPDGLV 56&3XEOLVKLQJ
&DPEULGJH
>@ 0 %D]DJD*DUFtD * . $QJHOL . ( 3DSDWKDQDVLRX , 5
6DOFHGR 3 2OLYHUD3DVWRU ( 5 /RVLOOD ' &KRTXHVLOOR/D]DUWH
*DU\ % +L[ $ &DEH]D . 'HPDGLV ,QRUJDQLF &KHPLVWU\
>@$ &DEH]D 3 2OLYHUD3DVWRU 5 0 3 &RORGUHUR
7DLORUHG 2UJDQLF,QRUJDQLF 0DWHULDOV (GV ( %UXQHW - / &ROyQ $
&OHDUソHOG (G -RKQ :LOH\ 6RQV ,QF &K
Keywords: metal phosphonates, proton conductivity, crystal
structure
MS16-P03
Perovskite-type hybrid materials with
lead halide complexes and piperidine
methyl derivatives: Design, synthesis and
structural analysis
3DZHO 6RFKD
1
, Lukasz Dobrzycki
1
0LFKDO . &\UDQVNL
1
'HSDUWPHQW RI &KHPLVWU\ 8QLYHUVLW\ RI :DUVDZ :DUVDZ 3RODQG
email: psocha@chem.uw.edu.pl
3HURYVNLWHW\SH KDOLGH K\EULG VDOWV DUH LQWULJXLQJ PDWHULDOV
'HSHQGLQJ RQ WKH VL]H DQG VKDSH RI DQ RUJDQLF FDWLRQ LW LV
possible to obtain 0-D, 1-D, 2-D or
' DUFKLWHFWXUH RI SRO\PHUL]HG LQRUJDQLF FRPSOH[HV LQ
the crystal structure. Physicochemical properties of these
PDWHULDOV VWULFWO\ GHSHQG RQ WKLV DUFKLWHFWXUH NLQG RI PHWDO
FDWLRQ DQG KDOLGH DQLRQ ZKDW JLYHV PDQ\ SRVVLELOLWLHV RI
PRGLソFDWLRQ GHSHQGLQJ RQ FUHDWRUV SUHIHUHQFHV 7KHUHIRUH
K\EULG VDOWV DUH NQRZQ DV VHPLFRQGXFWRUV PDJQHWLFV RU VR-
ODU FHOO FRPSRQHQWV >@ >@
7KH DLP RI WKLV SURMHFW LV GHVLJQ V\QWKHVLV DQG VWUXFWXUDO
DQDO\VLV RI QHZ RUJDQRPHWDOOLF V\VWHPV RI OHDG KDOLGHV ア
SLSHULGLQH DQG LWV GHULYDWLYHV %DVHG RQ WKH UHFHLYHG UH-
VXOWV LW LV DYDLODEOH WR SURSRVH WKH UXOHV JRYHUQLQJ WKH FU\V-
WDO DUFKLWHFWXUH RI WKH K\EULG VDOWV
3LSHULGLQH LV D VL[PHPEHUHG KHWHURF\FOLF DOLSKDWLF DPLQH
ZKLFK PD\ EH UHODWLYHO\ HDVLO\ PRGLソHG E\ VXEVWLWXWLRQ HJ
E\ PHWK\O JURXS LQ YDULRXV SRVLWLRQV LQ UHVSHFW WR WKH QL-
WURJHQ DWRP 6L]H RI WKH RUJDQLF FDWLRQ VKRXOG DIIHFW FU\VWDO
VWUXFWXUH EHFDXVH LW FDQ ソOO PRUH VSDFH LQ WKH XQLW FHOO $G-
GLWLRQDOO\ FRYHULQJ RI DPLQH JURXS VKRXOG KDYH LQタXHQFH
RQ VWUXFWXUH EHFDXVH RI UHGXFH DFFHVVLELOLW\ DWRPV WR FUHDWH
K\GURJHQ ERQGV EHWZHHQ RUJDQLF DQG LQRUJDQLF SDUW
/HDG KDOLGH ZDV FKRVHQ DV DQ LQRUJDQLF SDUW RI K\EULG PD-
WHULDO ,W LV ZHOO NQRZQ WKDW OHDG KDOLGH FUHDWHV RFWDKHGUDO
complex of PbX
KHQFH LW ZDV H[SHFWHG WR UHFHLYH YDULRXV
PRWLIV RI SRO\PHUL]HG LQRUJDQLF FRPSOH[HV OLNH ' FKDLQV
' OD\HUV RU ' PRWLIV >@>@>@ &KORULGHV DQG EURPLGHV
ZDV XVHG LQGHSHQGHQWO\ DV KDOLGHV
'XULQJ WKH VWXGLHV FU\VWDOV ZHUH REWDLQHG $OO VWUXFWXUHV
ZHUH GHWHUPLQHG E\ VLQJOH FU\VWDO [UD\ GLIIUDFWLRQ DQG DGGL-
WLRQDOO\ FKDUDFWHUL]HG E\ 5DPDQ VSHFWURVFRS\ )RU V\VWHPV
FRQWDLQLQJ OHDG EURPLGH RI WKHP H[KLELW ' LQRUJDQLF
FKDLQ VWUXFWXUH 6WUXFWXUDO DQDO\VLV VKRZHG WKDW IHZ RI WKHP
DUH LVRVWUXFWXUDO GHVSLWH WKH GLIIHUHQW SRVLWLRQ RI WKH PHWK\O
JURXS 0RUHRYHU RQH RI WKHP IRUP XQFRPPRQ ' LQRUJDQ-
LF VWUXFWXUH )LJ ZKDW LV H[FHSWLRQ LQ WKH H[DPLQDWHG VH-
ULHV RI V\VWHPV ZLWK SLSHULGLQH GHULYDWLYHV DQG OHDG EURPLGH
,Q FRQWUDVW WR WKH SUHYLRXV V\VWHPV REWDLQHG FU\VWDOV ZLWK
OHDG FKORULGH UHSUHVHQW RQO\ ' DUFKLWHFWXUH ZKLFK GUDZV
DWWHQWLRQ WR WKH LQタXHQFH RI WKH VL]H RI XVHG KDORJHQ DQLRQ