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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=20853 Help
TitleThe crystal structure of Fedorite.
AuthorsSokolova, G.V.;Kashaev, A.A.;Drits, V.A.;Ilyukhin, V.V.
ReferenceKristallografiya (1983) 28, 170-172
Link XRef SCOPUS SCIRUS Google
CompoundH3 Ca4.52 F1 K1.65 Na3.31 O40 Si16 - [Fedorite] Potassium sodium calcium hydroxosilicate fluoride hydrate * [A2B5C12D32X4Y78] [aP69] [i32 h e d c a] []
Cell9.676(2), 16.7060(10), 13.233(2), 93.35(1), 114.96(1), 90.03(1)
C1- (2) V=1935.23
RemarksR=0.095000 : DEF MIN =Fedorite : PDF =19-466 :
Difference between the formula calculated from the PARM record and the FORM record tolerable.
Deviation of the charge sum from zero tolerable.
Calculated density unusual but tolerable.
At least one temperature factor is implausible or meaningless but agrees with the value given in the paper.
At least one temperature factor missing in the paper.
The coordinates given in the paper contain an error. The values in the database have been corrected.
Mean T-O: 1.602, 1.612, 1.612, 1.616, 1.618, 1.649, 1.612, 1.610
Missing sign of y(O17) corrected

Atom (site) Oxid. x, y, z, B, Occupancy
Na1(2h)1
Na2(4i)1
Ca1(4i)2
Na3(4i)1
Ca2(4i)2
Na4(4i)1
Ca3(4i)2
Si1(4i)4
Si2(4i)4
Si3(4i)4
Si4(4i)4
Si5(4i)4
Si6(4i)4
Si7(4i)4
Si8(4i)4
O1(4i)-2
O2(4i)-2
O3(4i)-2
O4(4i)-2
O5(4i)-2
O6(4i)-2
O7(4i)-2
O8(4i)-2
O9(4i)-2
O10(4i)-2
O11(4i)-2
O12(4i)-2
O13(4i)-2
O14(4i)-2
O15(4i)-2
O16(4i)-2
O17(4i)-2
O18(4i)-2
O19(4i)-2
O20(4i)-2
F1(4i)-1
Na5(4i)1
K1(4i)1
K2(2d)1
O21(2a)-2
K3(2e)1
K4(2c)1
H1(4*)1
0.500.52.132(1)1
0.8446(3)0.0689(2)0.4912(2)1.538(1)0.35
0.8446(3)0.0689(2)0.4912(2)1.538(1)0.65
0.9286(2)0.2821(1)0.4996(2)0.918(1)0.35
0.9286(2)0.2821(1)0.4996(2)0.918(1)0.65
0.2764(3)0.3579(1)0.4857(2)1.094(1)0.35
0.2764(3)0.3579(1)0.4857(2)1.094(1)0.65
0.0735(3)0.3409(2)0.1303(2)0.75(1)1
0.2126(3)0.1986(2)0.2721(2)0.85(1)1
0.9068(3)0.1358(2)0.2746(2)0.753(1)1
0.4595(3)0.0774(2)0.2732(2)0.972(1)1
0.9005(3)0.3890(2)0.2702(2)0.89(1)1
0.9261(3)0.3272(2)0.8630(2)0.877(1)1
0.5956(3)0.3278(2)0.2722(2)0.965(1)1
0.3460(3)0.4505(2)0.2698(2)1.004(1)1
0.9452(9)0.1589(5)0.4010(7)1.175(1)1
0.2989(9)0.2305(5)0.3978(7)1.517(1)1
0.5813(9)0.0984(5)0.3975(7)1.344(1)1
0.3667(11)0.4475(6)0.3945(8)2.026(1)1
0.0097(10)0.3680(5)0.3946(7)1.767(1)1
0.6599(9)0.3068(5)0.3988(7)1.154(1)1
0.7228(9)0.3661(5)0.2372(7)1.830(1)1
0.8755(9)0.0397(5)0.2393(7)1.701(1)1
0.3031(9)0.1269(5)0.2366(7)1.629(1)1
0.4702(9)0.3980(5)0.2441(7)1.631(1)1
0.5189(9)0.0925(5)0.1763(7)1.708(1)1
0.5149(9)0.2534(5)0.1811(7)1.546(1)1
0.1805(10)0.4229(5)0.1735(7)2.146(1)1
0.1792(9)0.2640(5)0.1807(7)1.183(1)1
0.0479(9)0.1559(6)0.2425(7)1.958(1)1
0.9374(10)0.3450(5)0.1712(7)1.969(1)1
0.3986(10)-.0154(5)0.2534(7)1.92(1)1
0.7603(10)0.1764(5)0.1840(7)2.14(1)1
0.0001(14)0.3307(7)0.0037(10)2.356(1)1
0.2348(18)0.0230(9)0.4171(13)4.344(1)0.5
0.2348(18)0.0230(9)0.4171(13)4.344(1)0.5
0.8751(8)0.0112(4)0.7788(6)3.317(1)0.42
0.8751(8)0.0112(4)0.7788(6)3.317(1)0.33
0.750.2500.61(1)0.33
0003.217(1)1.
0.50000.33
0.250.25000.33
01.5

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