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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=85124 Help
TitleOn zeophyllite from Radejcin, Ceske stredohori Mts: X-ray and IR-investigations.
AuthorsMikenda, W.;Pertlik, F.;Povondra, P.;Ulrych, J.
ReferenceMineralogy and Petrology (1997) 61, 199-209
Link XRef SCOPUS SCIRUS Google
CompoundH12 Ca13 F10 O34 Si10 - [Zeophyllite] Calcium silicon oxide fluoride hydrate (13/10/28/10/6) [A10B13X10Y34] [hR79] [f9 c6 a] []
Cell9.377(2), 9.377(2), 36.570(20), 90., 90., 120.
R3-H (148) V=2784.73
RemarksR=0.033000 : MIN =Zeophyllite :

Atom (site) Oxid. x, y, z, B, Occupancy
Ca1(3a)2
Ca2(18f)2
Ca3(18f)2
Si1(6c)4
Si2(18f)4
Si3(6c)4
O1(6c)-2
O2(18f)-2
O3(18f)-2
O4(18f)-2
O5(6c)-2
O6(18f)-2
O7(18f)-2
F1(18f)-1
F2(6c)-1
F3(6c)-1
H1(18f)1
H2(18f)1
00001
0.14739(1)0.43212(5)0.01306(1)01
0.35721(5)0.46172(5)0.09488(1)01
000.11682(3)01
0.30188(6)0.08902(6)0.70304(2)01
0.66670.33330.06523(3)01
000.16056(8)01
0.1842(2)0.1290(2)0.09947(4)01
0.4807(2)0.2588(2)0.08129(4)01
0.0749(2)0.3811(2)0.08284(5)01
0.66670.33330.02143(7)01
0.2521(2)0.0802(2)0.03057(4)01
0.4630(3)0.4466(4)0.15352(7)01.
0.3887(2)0.4388(2)0.03029(3)01
0.33330.66670.05388(6)01
0.33330.66670.12686(8)01
0.376(4)0.363(4)0.1665(9)0.0151
0.576(4)0.469(4)0.1604(8)0.0151
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Ca1(3a)2
Ca2(18f)2
Ca3(18f)2
Si1(6c)4
Si2(18f)4
Si3(6c)4
O1(6c)-2
O2(18f)-2
O3(18f)-2
O4(18f)-2
O5(6c)-2
O6(18f)-2
O7(18f)-2
F1(18f)-1
F2(6c)-1
F3(6c)-1
H1(18f)1
H2(18f)1
0.0147(3)0.0147(3)0.0159(4)0.0073(2)00
0.0104(1)0.0105(1)0.0155(2)0.0027(1)0.0001(1)0.0003(1)
0.0129(2)0.0148(2)0.0179(2)0.0036(1)-.0003(1)-.0002(1)
0.0168(3)0.0168(3)0.0141(4)0.0084(2)00
0.0096(2)0.0099(2)0.0137(2)0.0028(1)0.0001(1)-.0001(1)
0.0133(3)0.0133(3)0.0120(4)0.0067(2)00
0.0332(13)0.0332(13)0.0217(14)0.0166(7)00
0.0135(6)0.0132(6)0.0207(7)0.0038(3)0.0023(3)-.0003(3)
0.0102(5)0.0132(6)0.0160(6)0.0027(3)0.0002(2)-.0006(3)
0.0126(6)0.0106(6)0.0239(7)0.0023(3)-.0009(3)-.0005(3)
0.0190(9)0.0190(9)0.0124(10)0.0095(5)00
0.0137(6)0.0012(6)0.0145(6)-.0005(3)-.0009(3)0.0031(3)
0.0482(14)0.0577(15)0.0289(10)0.0191(7)-.0035(5)0.0008(5)
0.0156(5)0.0141(5)0.0173(6)0.0044(2)-.0004(2)-.0008(2)
0.0203(8)0.0203(8)0.0191(10)0.0102(4)00
0.0356(12)0.0356(12)0.0281(3)0.0178(6)00
000000
000000

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