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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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CC=201893 Help
TitleA Structural Study of the Incommensurate-to-Ferroelectric Phase Transition in K2 Se O4.
AuthorsYamada, N.;Ono, Y.;Ikeda, T.
ReferenceJournal of the Physical Society of Japan (1984) 53, 2565-2574
Link XRef SCOPUS SCIRUS Google
Also: Phase Transition (1992) 38, 127-220
Link XRef SCOPUS SCIRUS Google
CompoundK2 O4 Se1 - Dipotassium selenate(VI) - ferroelectric phase [AB2X4] [oP84] [a21] []
Cell22.716, 10.339, 5.967, 90., 90., 90.
PNA21 (33) V=1401.41
RemarksR=0.038000 : TEM PDF =84-967 :
At least one temperature factor is implausible or meaningless but agrees with the value given in the paper.
Stable from 56 to 93 K (2nd ref., Tomaszewski), above Pnam

Atom (site) Oxid. x, y, z, B, Occupancy
K1(4a)1
K2(4a)1
K3(4a)1
K4(4a)1
K5(4a)1
K6(4a)1
Se1(4a)6
Se2(4a)6
Se3(4a)6
O1(4a)-2
O2(4a)-2
O3(4a)-2
O4(4a)-2
O5(4a)-2
O6(4a)-2
O7(4a)-2
O8(4a)-2
O9(4a)-2
O10(4a)-2
O11(4a)-2
O12(4a)-2
0.05440(45)0.079990(46)0.2556(45)01
0.38898(45)0.07974(47)0.24407(46)01
0.72248(45)0.08108(47)0.22956(45)01
-.00008(46)0.70804(44)0.27040(42)01
0.33274(46)0.70595(46)0.23443(48)01
0.66643(45)0.70814(45)0.24992(47)01
0.07401(20)0.41711(20)0.24365(21)01
0.40656(20)0.41799(21)0.26063(19)01
0.74156(20)0.42032(20)0.24307(21)01
0.1018(17)0.3486(18)0.0373(15)01
0.4247(18)0.3400(19)0.0314(16)01
0.7545(17)0.3291(18)0.0278(16)01
0.0942(17)0.3358(17)0.4660(14)01
0.4324(17)0.3393(18)0.4888(15)01
0.7715(19)0.3518(18)0.4807(15)01
0.1012(15)0.5678(15)0.2608(15)01
0.4411(16)0.5562(15)0.2539(16)01
0.7717(16)0.5618(15)0.2049(15)01
0.0024(15)0.4311(16)0.2223(17)01
0.3386(16)0.4331(17)0.2952(16)01
0.6693(16)0.4295(16)0.2799(16)01
Atom (site) Oxid. Beta11, Beta22, Beta33, Beta12, Beta13, Beta23
K1(4a)1
K2(4a)1
K3(4a)1
K4(4a)1
K5(4a)1
K6(4a)1
Se1(4a)6
Se2(4a)6
Se3(4a)6
O1(4a)-2
O2(4a)-2
O3(4a)-2
O4(4a)-2
O5(4a)-2
O6(4a)-2
O7(4a)-2
O8(4a)-2
O9(4a)-2
O10(4a)-2
O11(4a)-2
O12(4a)-2
0.00012(7)0.00088(35)0.0021(11)-.00004(28)-.00001(51)-.0004(12)
0.00012(7)0.00076(35)0.0018(10)0.00002(28)0.00001(48)0.0003(12)
0.00007(7)0.00081(35)0.0015(10)0.00007(29)0.00022(49)-.0001(12)
0.00013(7)0.00034(33)0.0023(11)0.00006(27)-.00012(51)-.0001(10)
0.00011(7)0.00037(33)0.0024(11)-.00003(27)0.00006(49)0.0001(12)
0.00009(7)0.00037(32)0.0025(11)0.00004(26)0.00001(48)0.0000(12)
0.00002(3)0.00001(15)0.00070(46)0.00001(13)-.00006(20)-.00001(53)
0.00001(3)0.00008(15)0.00068(46)-.00002(13)0.00016(23)0.00003(48)
0.00001(3)0.00006(15)0.00079(46)-.00001(13)-.00004(22)-.00003(56)
0.00032(30)0.0014(16)0.0001(35)0.0004(12)0.0005(18)-.0013(39)
0.00059(33)0.0013(15)0.0000(36)0.0004(13)-.0002(18)-.002(4)
0.00033(30)0.0013(15)0.0009(36)0.0001(12)0.0004(18)-.0027(42)
0.00033(31)0.0012(15)0.0009(36)0.0003(12)-.0003(18)0.0020(39)
0.00043(31)0.0012(15)0.0001(39)0.0002(12)0.0000(18)0.0025(39)
0.00068(35)0.0012(16)0.0000(40)0.0003(13)-.0003(19)0.0018(39)
0.00009(26)0.0000(12)0.0045(40)-.00002(92)-.0001(19)0.0001(39)
0.00028(29)0.0001(12)0.0032(39)-.00025(98)-.0004(20)0.0012(40)
0.00014(29)0.0000(13)0.0025(39)-.00012(98)0.0002(18)0.0006(38)
0.00002(27)0.0019(15)0.0062(40)0.0001(11)0.0003(19)-.0003(44)
0.00018(29)0.0018(15)0.0027(39)0.0002(11)-.0003(18)0.0012(43)
0.00004(26)0.0016(14)0.0035(40)0.0001(10)0.0016(18)-.0002(46)

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