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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=75269 Help
TitleSynthesis and structures of two isostructural phosphites, Fe11 (H PO3)8 (O H)6 and Mn11 (H P O3)8 (O H)6.
AuthorsAttfield, M.P.;Morris, R.E.;Cheetham, A.K.
ReferenceActa Crystallographica C (1994) 50, 981-984
Link XRef SCOPUS SCIRUS Google
CompoundH14 Mn11 O30 P8 - Undecamanganese octakis(hydrogenphosphate(III)) hexahydroxide [A8B11X30] [hP63] [d2 c4 b] []
Cell13.1957(6), 13.1957(6), 5.1770(3), 90., 90., 120.
P63MC (186) V=780.68
RemarksR=0.077000 : DEF RVP XDP
The coordinates are those given in the paper but the atomic distances do not agree with those calculated during testing.The coordinates are probably correct.
Difference between the formula calculated from the PARM record and the FORM record tolerable.

Atom (site) Oxid. x, y, z, B, Occupancy
Mn1(12d)2
P1(6c)3
P2(2b)3
O1(6c)-2
O2(12d)-2
O3(6c)-2
O4(6c)-2
H1(6c)1
H2(2b)1
H3(12d)1
0.5730(3)0.6529(3)0.0700(5)0.0098(7)0.915(8)
0.8391(3)0.1609(3)0.050(3)0.0094(7)1
0.33330.66670.826(3)0.0086(7)1
0.8050(7)0.1950(7)0.809(4)0.0175(7)1
0.654(1)0.9200(9)0.714(2)0.0144(7)1
0.6043(7)0.3957(7)0.425(3)0.0162(7)1
0.5255(8)0.4745(8)0.891(3)0.0145(7)1
0.8930.1070.970.025(7)1
0.33330.66670.5760.025(7)1
00.5

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