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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=39725 Help
TitleCrystal structure of jaffeite.
AuthorsYamnova, N.A.;Sarp, Kh.;Egorov-Tismenko, Yu.K.;Pushcharovskii, D.Yu.
ReferenceKristallografiya (1993) 38, 73-78
Link XRef SCOPUS Google
CompoundH6 Ca6 O13 Si2 - [Jaffeite] Hexacalcium disilicate hexahydroxide [A2B6X13] [hP54] [d12 c3 b3] []
Cell10.035(5), 10.035(5), 7.499(3), 90., 90., 120.
P3 (143) V=653.99
RemarksR=0.030000 : P =46-1285 : M =Jaffeite :
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(3d)2
Ca2(3d)2
Ca3(3d)2
Ca4(3d)2
Si1(1c)4
Si2(1c)4
Si3(1b)4
Si4(1b)4
O1(1c)-2
O2(1b)-2
O3(3d)-2
O4(3d)-2
O5(3d)-2
O6(3d)-2
O7(3d)-2
O8(3d)-2
O9(3d)-2
O10(3d)-2
H1(3d)1
H2(3d)1
H3(3d)1
H4(3d)1
0.660.04-.010.071
0.660.040.491.0(1
0.040.380.240.7(1
0.030.370.741.5(1
0.660.330.710.701
0.660.330.261.231
0.330.660.020.611
0.330.660.460.191
0.660.330.503.1(1
0.330.660.252.3(1
0.590.140.220.9(1
0.590.140.761.3(1
0.150.55-.020.5(1
0.150.550.511.0(1
0.220.300.250.5(1
0.200.260.741.8(1
0.920.200.000.8(1
0.920.200.491.1(1
0.150.150.734.5(1
0.150.000.004.5(1
0.160.010.504.5(1
0.140.160.234.5(1

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