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1 entry selected.
CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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CC=92567 Help
TitleTemperature related structural variation of the hydrous components in gypsum.
AuthorsSchofield, P.F.;Wilson, C.C.;Knight, K.S.;Stretton, I.C.
ReferenceZeitschrift fuer Kristallographie (2000) 215, 707-710
Link XRef SCOPUS Google
CompoundH4 Ca1 O6 S1 - [Gypsum] Calcium sulfate(VI) dihydrate [ABX6] [mS48] [f3 e2] []
Cell5.6739(5), 15.1058(2), 6.4917(4), 90, 118.512(2), 90
C12/C1 (15) V=488.92
RemarksR=0.061000 : N T =50 : M =Gypsum :
At least one temperature factor is implausible or meaningless but agrees with the value given in the paper.

Atom (site) Oxid. x, y, z, B, Occupancy
Ca1(4e)2
S1(4e)6
O1(8f)-2
O2(8f)-2
O3(8f)-2
H1(8f)1
H2(8f)1
0.50.070.2501
0.0.070.7501
0.960.130.5401
0.750.020.6601
0.380.180.4601.00
0.250.160.5001
0.400.240.4901
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Ca1(4e)2
S1(4e)6
O1(8f)-2
O2(8f)-2
O3(8f)-2
H1(8f)1
H2(8f)1
0.000.000.000.0.000.
0.000.000.000.0.000.
0.000.000.00-0.00.000.00
0.000.000.00-0.00.00-0.0
0.000.000.00-0.00.00-0.0
0.020.020.02-0.00.020.00
0.020.010.04-0.00.02-0.0

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