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ICSD for WWW : Details

ICSD for WWW

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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
***Click the ANX, Pearson or Wyckoff Symbol to find structures with that symbol***.
CC=391140 Help
TitleCrystal structure of tetrapotassium dihydrogen heptatungsteno tetramolybdeno monomanganese monoaquasilicate hydrate, K4 H2 (Si W7 Mo4 Mn (H2 O) O39) * 13(H2 O).
AuthorsYe, S.-R.;Shan, Y.-K.;He, M.-Y.;Dai, L.-Y.
ReferenceZeitschrift fuer Kristallographie - New Crystal Structures (2002) 217, 451-452
Link XRef SCOPUS SCIRUS Google
CompoundH30 K4 Mn1 Mo4 O53 Si1 W7 - Tetrapotassium dihydrogen heptatungstotetramolybdomangano- aquasilicate tridecahydrate [AB4C12X53] [tP200] [i6 h4 g2 e a] []
Cell14.105(5), 14.105(5), 12.476(7), 90., 90., 90.
P4/MNC (128) V=2482.11
RemarksR=0.073800 : DEF

Atom (site) Oxid. x, y, z, B, Occupancy
W1(16i)6
Mo1(16i)6
Mn1(16i)2
W2(8h)6
Mo2(8h)6
Mn2(8h)2
Si1(2a)4
K1(8h)1
O1(16i)-2
O2(16i)-2
O3(16i)-2
O4(16i)-2
O5(8h)-2
O6(16i)-2
O7(8h)-2
O8(8g)-2
O9(4e)-2
O10(8g)-2
H1(16*)1
0.13821(7)0.10920(8)0.19997(8)0.0300(5)0.5833
0.13821(7)0.10920(8)0.19997(8)0.0300(5)0.3333
0.13821(7)0.10920(8)0.19997(8)0.0300(5)0.0833
0.24649(9)-.02810(11)00.0287(6)0.5833
0.24649(9)-.02810(11)00.0287(6)0.3333
0.24649(9)-.02810(11)00.0287(6)0.0833
0000.011(3)1
0.2964(5)0.2445(5)00.042(2)1
0.0120(17)0.0971(15)0.0778(19)0.079(7)0.5
0.2355(17)0.0690(12)0.1050(17)0.077(8)1
0.1301(17)-.0165(11)0.255(2)0.090(9)1
0.1225(11)0.2127(17)0.1044(17)0.074(8)1
0.363(2)-.046(2)00.065(8)1
0.2032(12)0.1578(13)0.2951(12)0.052(5)1
0.316(3)0.441(3)00.104(13)1.
0.4058(14)0.0942(14)0.250.060(7)1.
0.50.50.068(5)0.108(18)0.5
0.114(2)0.386(2)0.250.116(14)1.
03.75
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
W1(16i)6
Mo1(16i)6
Mn1(16i)2
W2(8h)6
Mo2(8h)6
Mn2(8h)2
Si1(2a)4
K1(8h)1
O1(16i)-2
O2(16i)-2
O3(16i)-2
O4(16i)-2
O5(8h)-2
O6(16i)-2
O7(8h)-2
O8(8g)-2
O9(4e)-2
O10(8g)-2
H1(16*)1
0.0280(7)0.0354(7)0.0266(6)-0.0143(5)-0.0045(4)-0.0029(5)
0.0280(7)0.0354(7)0.0266(6)-0.0143(5)-0.0045(4)-0.0029(5)
0.0280(7)0.0354(7)0.0266(6)-0.0143(5)-0.0045(4)-0.0029(5)
0.0129(8)0.0297(9)0.0434(10)0.0031(6)00
0.0129(8)0.0297(9)0.0434(10)0.0031(6)00
0.0129(8)0.0297(9)0.0434(10)0.0031(6)00
0.002(3)0.002(3)0.029(7)000
0.045(4)0.050(4)0.029(4)-0.027(4)00
0.079(15)0.054(12)0.104(16)0.007(12)-0.011(14)0.012(12)
0.124(19)0.027(9)0.080(14)0.002(10)0.080(14)-0.008(9)
0.14(2)0.017(8)0.113(16)-0.021(10)0.103(16)-0.015(10)
0.019(8)0.115(18)0.087(15)0.007(9)0.005(9)0.072(14)
000000
0.059(11)0.071(12)0.025(8)-0.047(10)-0.004(7)-0.021(8)
0.12(3)0.07(2)0.12(3)0.01(2)00
000000
000000
000000
000000

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