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ICSD for WWW : Details

ICSD for WWW

Details of the selected entries


1 entry selected.
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=72936 Help
TitleCation occupancies in serendibite: a crystal structure study.
Authorsvan Derveer, D.G.;Swihart, G.H.;Sen Gupta, P.K.;Grew, E.S.
ReferenceAmerican Mineralogist (1993) 78, 195-203
Link XRef SCOPUS SCIRUS Google
CompoundAl5 B1.632 Ca1.598 Mg2 Na0.402 O20 Si3.368 - [Serendibite] Calcium sodium boron silicon magnesium aluminium silicate * [A2B2C2D3X20] [aP68] [i33 c b] []
Cell10.010(3), 10.393(3), 8.631(2), 106.38(1), 96.10(1), 124.37(1)
P1- (2) V=669.93
RemarksR=0.020000 : MIN =Serendibite : PDF =29-343 :
Calculated density unusual but tolerable.
Deviation of the charge sum from zero tolerable.

Atom (site) Oxid. x, y, z, B, Occupancy
B1(2i)3
Si1(2i)4
Si2(2i)4
Al1(2i)3
B2(2i)3
Si3(2i)4
Si4(2i)4
Si5(2i)4
Al2(1b)3
Al3(1c)3
Al4(2i)3
Al5(2i)3
Mg1(2i)2
Mg2(2i)2
Al6(2i)3
Ca1(2i)2
Na1(2i)1
Ca2(2i)2
Na2(2i)1
O1(2i)-2
O2(2i)-2
O3(2i)-2
O4(2i)-2
O5(2i)-2
O6(2i)-2
O7(2i)-2
O8(2i)-2
O9(2i)-2
O10(2i)-2
O11(2i)-2
O12(2i)-2
O13(2i)-2
O14(2i)-2
O15(2i)-2
O16(2i)-2
O17(2i)-2
O18(2i)-2
O19(2i)-2
O20(2i)-2
0.4651(1)0.2357(1)0.3304(1)00.652
0.4651(1)0.2357(1)0.3304(1)00.348
0.98393(7)0.22828(7)0.34086(7)01
0.78569(8)0.34446(7)0.23325(7)01
0.2688(3)0.3290(3)0.2197(3)00.98
0.2688(3)0.3290(3)0.2197(3)00.02
0.64333(7)0.94317(7)0.44362(7)01
0.35610(7)0.55441(7)0.05422(7)01
000.501
00.5001
0.31197(8)0.85596(8)0.17246(8)01
0.77752(8)0.82192(8)0.14551(8)01
0.09481(8)0.94392(8)0.06251(8)01
0.59383(9)0.93901(8)0.05623(8)01
0.99816(8)0.74020(7)0.25928(7)01
0.21564(6)0.62437(6)0.39800(6)00.775
0.21564(6)0.62437(6)0.39800(6)00.225
0.64732(6)0.60051(6)0.38263(6)00.823
0.64732(6)0.60051(6)0.38263(6)00.177
0.3531(2)0.0647(2)0.1736(2)01
0.8448(2)0.0496(2)0.1682(2)01
0.5409(2)0.9530(2)0.2890(2)01
0.0143(2)0.9336(2)0.2775(2)01
0.2409(2)0.8684(2)0.3818(2)01
0.7623(2)0.8819(2)0.3830(2)01
0.4899(2)0.2096(2)0.4948(2)01
0.9573(2)0.7881(2)0.4825(2)01
0.9004(2)0.3259(2)0.3802(2)01
0.3839(2)0.3254(2)0.3450(2)01
0.6516(2)0.1633(2)0.0462(2)01
0.1610(2)0.1760(2)0.0618(2)01
0.5362(2)0.7101(2)0.0488(2)01
0.0686(2)0.7260(2)0.0646(2)01
0.2407(2)0.6156(2)0.1168(2)01
0.7533(2)0.6129(2)0.1350(2)01
0.3893(2)0.4867(2)0.1931(2)01
0.9520(2)0.5259(2)0.2158(2)01
0.1655(2)0.3586(2)0.3125(2)01
0.6558(2)0.3680(2)0.3333(2)01
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
B1(2i)3
Si1(2i)4
Si2(2i)4
Al1(2i)3
B2(2i)3
Si3(2i)4
Si4(2i)4
Si5(2i)4
Al2(1b)3
Al3(1c)3
Al4(2i)3
Al5(2i)3
Mg1(2i)2
Mg2(2i)2
Al6(2i)3
Ca1(2i)2
Na1(2i)1
Ca2(2i)2
Na2(2i)1
O1(2i)-2
O2(2i)-2
O3(2i)-2
O4(2i)-2
O5(2i)-2
O6(2i)-2
O7(2i)-2
O8(2i)-2
O9(2i)-2
O10(2i)-2
O11(2i)-2
O12(2i)-2
O13(2i)-2
O14(2i)-2
O15(2i)-2
O16(2i)-2
O17(2i)-2
O18(2i)-2
O19(2i)-2
O20(2i)-2
0.0097(5)0.0081(5)0.0061(5)0.0066(4)0.0023(4)0.0028(4)
0.0097(5)0.0081(5)0.0061(5)0.0066(4)0.0023(4)0.0028(4)
0.0069(2)0.0070(2)0.0062(2)0.0042(2)0.0018(2)0.0029(2)
0.0063(3)0.0055(3)0.0055(3)0.0037(2)0.0021(2)0.0027(2)
0.0058(9)0.0065(9)0.0076(9)0.0027(8)0.0020(7)0.0038(7)
0.0058(9)0.0065(9)0.0076(9)0.0027(8)0.0020(7)0.0038(7)
0.0077(3)0.0075(2)0.0079(2)0.0048(2)0.0027(2)0.0019(2)
0.0065(2)0.0060(2)0.0056(2)0.0040(2)0.0022(2)0.0022(2)
0.0063(4)0.0058(4)0.0050(4)0.0041(3)0.0018(3)0.0021(3)
0.0059(4)0.0054(4)0.0054(4)0.0035(3)0.0021(3)0.0019(3)
0.0063(3)0.0081(3)0.0063(3)0.0048(2)0.0025(2)0.0032(2)
0.0079(3)0.0088(3)0.0083(3)0.0055(2)0.0033(2)0.0041(2)
0.0042(3)0.0061(3)0.0055(3)0.0037(3)0.0028(2)0.0042(2)
0.0044(3)0.0066(3)0.0076(3)0.0037(3)0.0027(2)0.0044(2)
0.0066(3)0.0056(3)0.0060(3)0.0040(2)0.0025(2)0.0025(2)
0.0100(2)0.0097(2)0.0085(2)0.0067(2)0.0040(2)0.0045(2)
0.0100(2)0.0097(2)0.0085(2)0.0067(2)0.0040(2)0.0045(2)
0.0062(2)0.0105(2)0.0107(2)0.0040(2)0.0029(2)0.0052(2)
0.0062(2)0.0105(2)0.0107(2)0.0040(2)0.0029(2)0.0052(2)
0.0099(7)0.0106(7)0.0109(7)0.0070(6)0.0027(6)0.0039(6)
0.0105(7)0.0100(7)0.0074(6)0.0071(6)0.0028(5)0.0035(5)
0.0130(7)0.0116(7)0.0129(7)0.0071(6)0.0045(6)0.0017(6)
0.0080(7)0.0077(6)0.0070(6)0.0044(6)0.0033(5)0.0029(5)
0.0094(7)0.0094(7)0.0092(7)0.0056(6)0.0013(6)0.0026(5)
0.0072(7)0.0091(7)0.0105(7)0.0048(6)0.0024(5)0.0040(6)
0.0128(7)0.0106(7)0.0131(7)0.0064(6)0.0077(6)0.0063(6)
0.0080(7)0.0081(6)0.0091(6)0.0049(6)0.0023(5)0.0041(5)
0.0154(8)0.0101(7)0.0089(7)0.0093(6)0.0033(6)0.0040(6)
0.0097(7)0.0097(7)0.0100(7)0.0050(6)0.0015(6)0.0044(6)
0.0087(7)0.0098(7)0.0123(7)0.0058(6)0.0040(6)0.0046(6)
0.0085(7)0.0082(6)0.0085(6)0.0051(6)0.0001(5)0.0015(5)
0.0127(7)0.0097(7)0.0108(7)0.0074(6)0.0052(6)0.0038(6)
0.0094(7)0.0081(6)0.0076(6)0.0054(6)0.0034(5)0.0035(5)
0.0085(7)0.0107(7)0.0089(6)0.0069(6)0.0031(5)0.0037(6)
0.0089(7)0.0100(7)0.0075(6)0.0050(6)0.0023(5)0.0009(5)
0.0103(7)0.0084(6)0.0088(6)0.0058(6)0.0043(6)0.0051(5)
0.0110(7)0.0106(7)0.0088(6)0.0067(6)0.0029(6)0.0043(5)
0.0101(7)0.0100(7)0.0118(7)0.0053(6)0.0067(6)0.0039(6)
0.0198(8)0.0184(8)0.0099(7)0.0148(7)0.0064(6)0.0052(6)

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