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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=87510 Help
TitleModulated structure of orthorhombic lazurite.
AuthorsEvsyunin, V.G.;Rastsvetaeva, R.K.;Sapozhnikov, A.N.;Kashaev, A.A.
ReferenceKristallografiya (1998) 43, 1057-1060
Link XRef SCOPUS SCIRUS Google
Also: Crystallography Reports (1998) 43, 999-1002
Link XRef SCOPUS SCIRUS Google
CompoundAl5.83 Ca1.33 Cl0.12 K0.113 Na6.51 O29.54985 S1.92 Si6.17 - [Lazurite 6O] Sodium calcium potassium alumosilicate sulfate sulfide persulfide chloride * [] [oP309] [e52 d c] []
Cell9.053(3), 12.837(3), 38.445(10), 90., 90., 90.
PNAA (56) V=4467.82
RemarksR=0.068000 : DEF MIN =Lazurite 6O : MXD =S : PDF =44-1458 :
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.
Deviation of the charge sum from zero tolerable.

Atom (site) Oxid. x, y, z, B, Occupancy
Si1(8e)4
Si2(4d)4
Si3(8e)4
Si4(8e)4
Si5(8e)4
Al1(4c)3
Al2(8e)3
Al3(8e)3
Al4(8e)3
Si6(8e)4
Al5(8e)3
O1(8e)-2
O2(8e)-2
O3(8e)-2
O4(8e)-2
O5(8e)-2
O6(8e)-2
O7(8e)-2
O8(8e)-2
O9(8e)-2
O10(8e)-2
O11(8e)-2
O12(8e)-2
O13(8e)-2
O14(8e)-2
O15(8e)-2
O16(8e)-2
O17(8e)-2
O18(8e)-2
Ca1(8e)2
Ca2(8e)2
Na1(8e)1
Ca3(8e)2
Na2(8e)1
Na3(8e)1
Na4(8e)1
Na5(8e)1
Na6(8e)1
Na7(8e)1
Na8(8e)1
Na9(8e)1
Na10(8e)1
K1(8e)1
S1(8e)6
O19(8e)-2
O20(8e)-2
O21(8e)-2
O22(8e)-2
S2(8e)6
O23(8e)-2
O24(8e)-2
O25(8e)-2
O26(8e)-2
S3(8e)-1
S4(8e)-1
S5(8e)-2
S6(8e)-2
Cl1(8e)-1
0.4779(3)0.3718(2)0.2092(1)0.7(1)1
0.2033(5)0.750.250.6(1)1
0.2402(4)0.2465(3)0.0849(1)1.2(1)1
0.4642(4)0.6216(3)0.1249(1)1.0(1)1
0.4730(3)0.8788(33)0.0401(1)0.9(1)1
0.2297(5)0.250.250.6(1)1
0.4960(3)0.1264(3)0.0431(1)0.9(1)1
-.0124(3)0.1280(3)0.1263(1)0.7(1)1
0.4556(4)0.6222(3)0.2087(1)1.0(1)0.875
0.4556(4)0.6222(3)0.2087(1)1.0(1)0.125
0.2210(4)0.7532(4)0.0825(1)0.9(1)1
0.4232(11)0.4865(6)0.2165(2)1.4(4)1
0.0287(9)0.1429(7)0.1709(2)1.2(2)1
0.0351(16)0.3422(10)0.0002(2)2.7(4)1
0.1064(14)0.8294(11)0.2303(3)2.8(4)1
0.2994(11)0.6853(10)0.2203(2)2.2(3)1
0.1151(10)0.1479(8)0.2339(2)1.5(3)1
0.3381(10)0.2956(7)0.2170(2)1.2(1)1
-.0187(10)0.8525(7)0.1671(3)1.8(3)1
0.4562(10)0.9920(8)0.0489(3)1.9(3)1
0.1182(12)0.6594(12)0.0584(4)4.0(3)1
0.3389(12)0.1927(8)0.0557(3)2.1(4)1
0.4459(11)0.5018(8)0.1177(2)1.6(3)1
0.3396(11)0.2965(8)0.1168(3)1.7(3)1
0.3242(13)0.8238(9)0.0553(2)2.3(3)1
0.1443(9)0.1592(7)0.1013(2)1.0(3)1
0.1081(10)0.8422(9)0.1064(2)1.7(3)1
0.1398(13)0.3402(9)0.0683(3)2.5(3)1
0.3200(12)0.6826(9)0.1123(3)2.2(3)1
0.2124(6)0.7539(5)0.1668(1)4.2(1)0.80(1)
0.248(2)0.995(2)0.0893(5)4.8(3)0.100(3)
0.248(2)0.995(2)0.0893(5)4.8(3)0.300(7)
0.274(3)0.7132(2)0.0031(7)4.2(4)0.100(5)
0.274(3)0.7132(2)0.0031(7)4.2(4)0.100(5)
0.211(2)0.491(2)0.087(5)2.8(4)0.40(2)
0.172(1)0.503(1)0.1020(3)3.7(2)0.60(2)
0.231(3)-.008(2)0.2527(7)5.6(5)0.30(2)
0.1543(8)0.4962(8)0.2278(2)2.2(2)0.70(1)
0.181(2)0.005(1)0.0696(4)4.7(3)0.60(2)
0.202(1)0.790(1)-.0021(2)4.4(2)0.80(2)
0.2992(8)0.1773(6)0.1691(2)2.9(1)1
0.276(6)0.827(2)0.1741(2)6.5(9)0.085(5)
0.276(6)0.827(2)0.1741(2)6.5(9)0.085(5)
0.4624(7)0.9685(4)0.1629(1)3.2(1)0.81(1)
0.447(4)0.031(3)0.1929(6)8.2(7)0.80(3)
0.458(4)0.033(3)0.1346(8)6.8(7)0.80(3)
0.114(2)0.571(2)0.1597(4)3.1(6)0.84(3)
0.347(4)0.890(2)0.160(1)5.8(7)0.79(1)
0.024(2)-.005(2)-.0085(3)3.3(2)0.20(1)
0.071(5)0.906(5)0.009(1)3.5(13)0.23(3)
0.104(4)0.103(3)-.0014(9)2.1(11)0.26(3)
0.359(5)0.511(5)0.040(1)6.5(13)0.24(3)
0.135(5)0.027(7)0.011(2)4.7(14)0.20(3)
0.023(4)0.437(3)0.1567(9)6.9(8)0.10(1)
0.347(6)0.010(3)0.143(2)8.8(6)0.10(1)
0.083(5)0.974(4)0.026(1)4.1(13)0.10(3)
0.034(9)0.894(4)-.014(1)4.5(15)0.13(3)
0.085(8)0.052(4)0.026(1)4.9(17)0.09(1)

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