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ICSD for WWW : Details

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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=33756 Help
TitleThe crystal structure of Ca0.8 Mg1.2 Si2 O6 clinopyroxene (Di80En20) at T= -130, 25, 400 and 700 deg. C.
AuthorsBenna, P.;Tribaudino, M.;Zanini, G.;Bruno, E.
ReferenceZeitschrift fuer Kristallographie (1990) 192, 183-199
Link XRef SCOPUS SCIRUS Google
CompoundCa0.8 Mg1.2 O6 Si2 - [Diopside subcalcic] Calcium magnesium catena-silicate (0.6/0.4/2) [A3B5C8X24] [mS40] [f4 e3] []
Cell9.792(2), 9.007(1), 5.269(1), 90., 106.65(3), 90.
C12/C1 (15) V=445.22
RemarksR=0.049000 : DEF MIN =Diopside subcalcic : TEM =973 :
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.
At least one temperature factor missing in the paper.
Cell at 1373K: 9.823(3), 9.060(3), 5.287(1), 106.79(4)

Atom (site) Oxid. x, y, z, B, Occupancy
Ca1(4e)2
Mg1(4e)2
Mg2(4e)2
Si1(8f)4
O1(8f)-2
O2(8f)-2
O3(8f)-2
00.2997(3)0.2500.8
00.2606(18)0.2500.2
00.9058(2)0.2501
0.2878(1)0.0924(1)0.2351(2)01
0.1164(2)0.0881(3)0.1425(5)01
0.3634(3)0.2474(3)0.3236(6)01
0.3501(3)0.0162(3)0.0040(5)01
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Ca1(4e)2
Mg1(4e)2
Mg2(4e)2
Si1(8f)4
O1(8f)-2
O2(8f)-2
O3(8f)-2
0.033(1)0.022(1)0.018(1)0-.003(1)0
000000
0.020(1)0.022(1)0.015(1)00.004(1)0
0.014(1)0.017(1)0.014(1)-.001(1)0.004(1)-.001(1)
0.015(1)0.024(1)0.016(1)0.001(1)0.002(1)0.001(1)
0.031(1)0.022(1)0.029(1)-.009(1)0.009(1)-.005(1)
0.019(1)0.032(1)0.018(1)0.0(1)00.006(1)-.008(1)

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