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ICSD for WWW : Details

ICSD for WWW

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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=51539 Help
TitleThe crystal chemistry of the humite minerals: spectroscopic studiesand structure refinement of an unusual iron-rich clinohumite.
AuthorsPlatonov, A.N.;Langer, K.;Wildner, M.;Polshin, E.V.;Matsyuk, S.S.
ReferenceZeitschrift fuer Kristallographie (2001) 216, 154-164
Link XRef SCOPUS SCIRUS Google
CompoundH0.78 F1.21 Fe3.82 Mg5.18 O16.78 Si4 - [Clinohumite] Magnesium iron silicate fluoride hydroxide* [A4B4C5X2Y16] [mP64] [e15 d] []
Cell4.775(1), 10.359(1), 13.767(1), 100.85(1), 90., 90.
P21/B11 (14) V=668.8
RemarksR=0.023000 : MIN =Clinohumite : DEF

Atom (site) Oxid. x, y, z, B, Occupancy
Si1(4e)4
Si2(4e)4
Fe1(2d)2
Fe2(4e)2
Fe3(4e)2
Fe4(4e)2
Fe5(4e)2
Mg1(2d)2
Mg2(4e)2
Mg3(4e)2
Mg4(4e)2
Mg5(4e)2
O1(4e)-2
O2(4e)-2
O3(4e)-2
O4(4e)-2
O5(4e)-2
O6(4e)-2
O7(4e)-2
O8(4e)-2
O9(4e)-2
F1(4e)-1
H1(4e)1
0.07113(4)0.06840(2)0.38832(2)0.0051(1)1
0.07441(4)0.17815(2)0.83736(2)0.0049(1)1
0.500.50.0066(1)0.6242(2)
0.49715(3)0.94527(1)0.27337(1)0.0064(1)0.631(2)
0.01018(4)0.13911(2)0.16847(2)0.0066(1)0.265(2)
0.51495(3)0.25170(2)0.38741(1)0.0061(1)0.616(2)
0.49362(5)0.87859(3)0.04287(2)0.0068(1)0.087(2)
0.500.50.0066(1)0.3758
0.49715(3)0.94527(1)0.27337(1)0.0064(1)0.369
0.01018(4)0.13911(2)0.16847(2)0.0066(1)0.735
0.51495(3)0.25170(2)0.38741(1)0.0061(1)0.384
0.49362(5)0.87859(3)0.04287(2)0.0068(1)0.913
0.73212(12)0.06461(6)0.38733(4)0.0069(1)1
0.28549(12)0.42271(5)0.38710(4)0.0070(1)1
0.21630(12)0.11357(6)0.29240(4)0.0076(1)1
0.21553(12)0.16016(6)0.48478(4)0.0077(1)1
0.23546(12)0.32149(6)0.16060(4)0.0066(1)1
0.78340(12)0.96636(5)0.16051(4)0.0071(1)1
0.71836(12)0.27740(6)0.25944(4)0.0073(1)1
0.72600(12)0.22691(6)0.06866(4)0.0070(1)1
0.26612(13)0.04553(6)0.05543(4)0.0107(1)0.393(4)
0.26612(13)0.04553(6)0.05543(4)0.0107(1)0.607(4)
0.103(10)0.019(6)0.010(4)0.020.389
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Si1(4e)4
Si2(4e)4
Fe1(2d)2
Fe2(4e)2
Fe3(4e)2
Fe4(4e)2
Fe5(4e)2
Mg1(2d)2
Mg2(4e)2
Mg3(4e)2
Mg4(4e)2
Mg5(4e)2
O1(4e)-2
O2(4e)-2
O3(4e)-2
O4(4e)-2
O5(4e)-2
O6(4e)-2
O7(4e)-2
O8(4e)-2
O9(4e)-2
F1(4e)-1
H1(4e)1
0.0037(1)0.0063(1)0.0055(1)-0.0002(1)0.0000(1)0.0013(1)
0.0036(1)0.0060(1)0.0051(1)0.0000(1)-0.0001(1)0.0011(1)
0.0052(1)0.0092(1)0.0059(1)0.0000(1)-0.0007(1)0.0027(1)
0.0050(1)0.0080(1)0.0057(1)0.0004(1)0.0008(1)-0.0001(1)
0.0069(1)0.0063(1)0.0070(1)0.0002(1)-0.0001(1)0.0021(1)
0.0070(1)0.0057(1)0.0058(1)0.0000(1)0.0000(1)0.0012(1)
0.0062(1)0.0084(1)0.0056(1)0.0004(1)-0.0006(1)0.0010(1)
0.0052(1)0.0092(1)0.0059(1)0.0000(1)-0.0007(1)0.0027(1)
0.0050(1)0.0080(1)0.0057(1)0.0004(1)0.0008(1)-0.0001(1)
0.0069(1)0.0063(1)0.0070(1)0.0002(1)-0.0001(1)0.0021(1)
0.0070(1)0.0057(1)0.0058(1)0.0000(1)0.0000(1)0.0012(1)
0.0062(1)0.0084(1)0.0056(1)0.0004(1)-0.0006(1)0.0010(1)
0.0041(2)0.0094(2)0.0073(2)-0.0003(2)-0.0001(2)0.0014(2)
0.0069(2)0.0061(2)0.0082(2)0.0004(2)0.0002(2)0.0017(2)
0.0063(2)0.0101(2)0.0072(2)-0.0003(2)0.0004(2)0.0038(2)
0.0066(2)0.0084(2)0.0073(2)-0.0004(2)-0.0003(2)-0.0010(2)
0.0038(2)0.0088(2)0.0072(2)0.0002(2)0.0001(2)0.0015(2)
0.0068(2)0.0060(2)0.0084(2)0.0002(2)0.0002(2)0.0016(2)
0.0063(2)0.0099(2)0.0065(2)0.0004(2)0.0001(2)0.0034(2)
0.0059(2)0.0079(2)0.0066(2)-0.0003(2)0.0007(2)-0.0005(2)
0.0119(2)0.0090(2)0.0113(2)0.0015(2)0.0041(2)0.0025(2)
0.0119(2)0.0090(2)0.0113(2)0.0015(2)0.0041(2)0.0025(2)
000000

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