Warning: Compilation failed: nothing to repeat at offset 0 in /srv/www/htdocs/icsd/dbconfig.php on line 84

Warning: Compilation failed: nothing to repeat at offset 0 in /srv/www/htdocs/icsd/dbconfig.php on line 85
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=97283 Help
TitleWagnerite-Ma5bc, a new polytype of Mg2 (P O4) (F, OH), from granulite-facies paragneiss, Larsemann Hills, Prydz Bay, East Antarctica.
AuthorsRen Liu-Dong; Grew, E.S.; Xiong Ming; Ma Zhe-Sheng
ReferenceCanadian Mineralogist (2003) 41, 393-411
Link XRef SCOPUS SCIRUS Google
CompoundH0.39 F0.61 Mg2 O4.39 P1 - [Wagnerite-Ma5bc] Magnesium phosphate(V) fluoride hydroxide (2/1/0.61/0.39) [AB2XY4] [mS336] [a80] []
Cell9.645(2), 31.659(6), 11.914(2), 90, 108.26(3), 90
I1A1 (9) V=3454.76
RemarksR=0.041300 : POL MIN =Wagnerite-Ma5bc :
At least one temperature factor is implausible or meaningless but agrees with the value given in the paper.

Atom (site) Oxid. x, y, z, B, Occupancy
Mg1(4a)2
Mg2(4a)2
Mg3(4a)2
Mg4(4a)2
Mg5(4a)2
Mg6(4a)2
Mg7(4a)2
Mg8(4a)2
Mg9(4a)2
Mg10(4a)2
Mg11(4a)2
Mg12(4a)2
Mg13(4a)2
Mg14(4a)2
Mg15(4a)2
Mg16(4a)2
Mg17(4a)2
Mg18(4a)2
Mg19(4a)2
Mg20(4a)2
P1(4a)5
P2(4a)5
P3(4a)5
P4(4a)5
P5(4a)5
P6(4a)5
P7(4a)5
P8(4a)5
P9(4a)5
P10(4a)5
O1(4a)-2
O2(4a)-2
O3(4a)-2
O4(4a)-2
O5(4a)-2
O6(4a)-2
O7(4a)-2
O8(4a)-2
O9(4a)-2
O10(4a)-2
O11(4a)-2
O12(4a)-2
O13(4a)-2
O14(4a)-2
O15(4a)-2
O16(4a)-2
O17(4a)-2
O18(4a)-2
O19(4a)-2
O20(4a)-2
O21(4a)-2
O22(4a)-2
O23(4a)-2
O24(4a)-2
O25(4a)-2
O26(4a)-2
O27(4a)-2
O28(4a)-2
O29(4a)-2
O30(4a)-2
O31(4a)-2
O32(4a)-2
O33(4a)-2
O34(4a)-2
O35(4a)-2
O36(4a)-2
O37(4a)-2
O38(4a)-2
O39(4a)-2
O40(4a)-2
F1(4a)-1
O41(4a)-2
F2(4a)-1
O42(4a)-2
F3(4a)-1
O43(4a)-2
F4(4a)-1
O44(4a)-2
F5(4a)-1
O45(4a)-2
F6(4a)-1
O46(4a)-2
F7(4a)-1
O47(4a)-2
F8(4a)-1
O48(4a)-2
F9(4a)-1
O49(4a)-2
F10(4a)-1
O50(4a)-2
H1(4*)1
0.4443(3)0.2227(1)0.1170(2)0.006(1)1
0.3471(3)0.0223(1)0.7797(2)0.008(1)1
0.7026(3)0.2427(1)0.5129(2)0.006(1)1
0.2050(3)0.1427(1)0.0097(2)0.006(1)1
0.8493(3)0.1216(1)0.2900(3)0.010(1)1
0.3520(3)0.0772(1)0.2841(2)0.009(1)1
0.0946(3)0.0430(1)0.3879(3)0.010(1)1
0.0876(3)0.0573(1)0.8867(2)0.006(1)1
0.5892(3)0.1564(1)0.3903(2)0.008(1)1
0.9469(3)0.1782(1)0.1120(3)0.010(1)1
0.6881(3)0.0517(1)0.0042(2)0.005(1)1
0.3607(3)0.2211(1)0.8059(2)0.006(1)1
0.1895(3)0.1531(1)0.5075(2)0.006(1)1
0.6958(3)0.0476(1)0.5060(2)0.006(1)1
0.4341(3)0.0791(1)0.5937(3)0.013(1)1
0.8620(3)0.1780(1)0.8003(2)0.007(1)1
0.6068(3)0.1481(1)0.8936(2)0.006(1)1
-0.0670(3)0.1226(1)0.6011(3)0.011(1)1
0.1033(3)0.2483(1)0.3939(2)0.007(1)1
0.4292(3)0.0217(1)0.0912(3)0.011(1)1
0.0144(2)0.0196(1)0.6221(2)0.007(1)1
0.0136(2)0.0803(1)0.1237(2)0.007(1)1
0.5165(2)0.1208(1)0.1228(2)0.007(1)1
0.5138(2)0.1805(1)0.6250(2)0.006(1)1
0.0163(2)0.2208(1)0.6234(2)0.007(1)1
0.7753(2)0.0792(1)0.7743(2)0.007(1)1
0.2790(2)0.1198(1)0.7735(2)0.008(1)1
0.2757(2)0.1790(1)0.2748(2)0.007(1)1
0.7773(2)0.0208(1)0.2728(2)0.008(1)1
0.7789(2)0.2200(1)0.2750(2)0.007(1)1
-0.0821(7)0.0587(2)0.5850(6)0.013(1)1
0.1310(7)0.0290(2)0.7428(5)0.012(1)1
-0.0848(7)-0.0173(2)0.6362(6)0.015(1)1
0.0885(7)0.0087(2)0.5309(6)0.017(1)1
-0.0863(7)0.0431(2)0.0815(5)0.012(1)1
0.1360(7)0.0682(2)0.2382(5)0.012(1)1
-0.0753(6)0.1171(2)0.1498(5)0.010(1)1
0.0774(7)0.0931(2)0.0269(6)0.015(1)1
0.4204(6)0.1601(2)0.0862(5)0.011(1)1
0.6323(6)0.1288(2)0.2461(5)0.008(1)1
0.4110(7)0.0843(2)0.1322(5)0.012(1)1
0.5949(7)0.1119(2)0.0334(5)0.013(1)1
0.4120(6)0.1430(2)0.5820(5)0.010(1)1
0.6402(7)0.1683(2)0.7366(5)0.012(1)1
0.5738(6)0.1936(2)0.5252(5)0.010(1)1
0.4211(7)0.2161(2)0.6527(4)0.008(1)1
-0.0835(7)0.2595(2)0.5841(5)0.012(1)1
0.1371(7)0.2307(2)0.7403(5)0.011(1)1
0.0859(7)0.2107(2)0.5278(6)0.014(1)1
-0.0857(6)0.1849(2)0.6397(5)0.009(1)1
0.8752(6)0.0400(2)0.8180(5)0.007(1)1
0.6613(7)0.0709(2)0.6572(5)0.011(1)1
0.7001(6)0.0895(2)0.8673(5)0.010(1)1
0.8775(6)0.1146(2)0.7615(5)0.010(1)1
0.3677(6)0.0836(2)0.7432(5)0.013(1)1
0.2137(6)0.1057(2)0.8710(5)0.009(1)1
0.1566(6)0.1314(2)0.6622(5)0.007(1)1
0.3834(6)0.1576(2)0.8232(5)0.008(1)1
0.3768(7)0.2152(2)0.2656(5)0.007(1)1
0.1961(6)0.1891(2)0.3650(5)0.007(1)1
0.3766(7)0.1402(2)0.3190(5)0.008(1)1
0.1651(7)0.1717(2)0.1523(5)0.013(1)1
0.6557(6)0.0314(2)0.1593(5)0.011(1)1
0.7095(7)0.0083(2)0.3692(5)0.012(1)1
0.8715(6)-0.0151(2)0.2484(5)0.014(1)1
0.8796(7)0.0590(2)0.3198(5)0.010(1)1
0.8814(7)0.2580(2)0.3208(5)0.008(1)1
0.7068(7)0.2075(2)0.3689(5)0.008(1)1
0.8691(6)0.1837(2)0.2516(5)0.011(1)1
0.6610(7)0.2302(2)0.1587(5)0.012(1)1
0.4802(5)0.0318(1)0.9413(4)0.005(1)0.61
0.4802(5)0.0318(1)0.9413(4)0.005(1)0.39
0.5663(6)0.2847(1)0.4205(4)0.015(1)0.61
0.5663(6)0.2847(1)0.4205(4)0.015(1)0.39
0.2263(5)0.0149(1)0.9805(4)0.008(1)0.61
0.2263(5)0.0149(1)0.9805(4)0.008(1)0.39
0.0651(6)0.1834(1)-0.0843(5)0.018(1)0.61
0.0651(6)0.1834(1)-0.0843(5)0.018(1)0.39
0.8081(6)0.1702(2)0.9562(4)0.026(1)0.61
0.8081(6)0.1702(2)0.9562(4)0.026(1)0.39
0.3063(6)0.2299(2)-0.0416(4)0.017(1)0.61
0.3063(6)0.2299(2)-0.0416(4)0.017(1)0.39
0.4909(7)0.0706(2)0.4366(5)0.044(2)0.61
0.4909(7)0.0706(2)0.4366(5)0.044(2)0.39
0.9844(5)0.1303(1)0.4431(4)0.021(1)0.61
0.9844(5)0.1303(1)0.4431(4)0.021(1)0.39
0.2347(5)0.0840(2)0.4722(4)0.044(2)0.61
0.2347(6)0.0840(2)0.4722(4)0.044(2)0.39
0.7381(6)0.1180(1)0.4783(4)0.051(2)0.61
0.7381(6)0.1180(1)0.4783(4)0.051(2)0.39
03.9
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Mg1(4a)2
Mg2(4a)2
Mg3(4a)2
Mg4(4a)2
Mg5(4a)2
Mg6(4a)2
Mg7(4a)2
Mg8(4a)2
Mg9(4a)2
Mg10(4a)2
Mg11(4a)2
Mg12(4a)2
Mg13(4a)2
Mg14(4a)2
Mg15(4a)2
Mg16(4a)2
Mg17(4a)2
Mg18(4a)2
Mg19(4a)2
Mg20(4a)2
P1(4a)5
P2(4a)5
P3(4a)5
P4(4a)5
P5(4a)5
P6(4a)5
P7(4a)5
P8(4a)5
P9(4a)5
P10(4a)5
O1(4a)-2
O2(4a)-2
O3(4a)-2
O4(4a)-2
O5(4a)-2
O6(4a)-2
O7(4a)-2
O8(4a)-2
O9(4a)-2
O10(4a)-2
O11(4a)-2
O12(4a)-2
O13(4a)-2
O14(4a)-2
O15(4a)-2
O16(4a)-2
O17(4a)-2
O18(4a)-2
O19(4a)-2
O20(4a)-2
O21(4a)-2
O22(4a)-2
O23(4a)-2
O24(4a)-2
O25(4a)-2
O26(4a)-2
O27(4a)-2
O28(4a)-2
O29(4a)-2
O30(4a)-2
O31(4a)-2
O32(4a)-2
O33(4a)-2
O34(4a)-2
O35(4a)-2
O36(4a)-2
O37(4a)-2
O38(4a)-2
O39(4a)-2
O40(4a)-2
F1(4a)-1
O41(4a)-2
F2(4a)-1
O42(4a)-2
F3(4a)-1
O43(4a)-2
F4(4a)-1
O44(4a)-2
F5(4a)-1
O45(4a)-2
F6(4a)-1
O46(4a)-2
F7(4a)-1
O47(4a)-2
F8(4a)-1
O48(4a)-2
F9(4a)-1
O49(4a)-2
F10(4a)-1
O50(4a)-2
H1(4*)1
0.012(2)0.005(1)0.003(1)0.000(1)0.003(1)-.001(1)
0.002(1)0.009(1)0.012(1)0.001(1)0.001(1)0.000(1)
0.009(1)0.051(5)0.001(1)-.001(1)0.003(1)0.000(1)
0.004(1)0.006(1)0.007(1)0.000(1)0.001(1)-.001(1)
0.006(1)0.009(1)0.015(1)0.000(1)0.004(1)-.001(1)
0.004(1)0.008(1)0.014(1)-.001(1)0.002(1)0.001(1)
0.009(1)0.012(1)0.008(1)0.004(1)0.002(1)0.003(1)
0.002(1)0.008(1)0.009(1)0.000(1)0.002(1)-.001(1)
0.007(1)0.012(1)0.004(1)-.003(1)0.002(1)-.003(1)
0.014(2)0.006(1)0.009(1)0.002(1)0.003(1)0.000(1)
0.002(1)0.008(1)0.006(1)-.002(1)0.003(1)0.002(1)
0.007(1)0.006(1)0.006(1)0.000(1)0.004(1)0.001(1)
0.001(1)0.011(1)0.006(1)0.001(1)0.003(1)0.003(1)
0.004(1)0.010(1)0.006(1)-.003(1)0.003(1)-.003(1)
0.015(2)0.007(1)0.021(2)0.001(1)0.012(1)-.001(1)
0.006(1)0.007(1)0.007(1)-.002(1)0.001(1)-.001(1)
0.007(1)0.006(1)0.004(1)0.001(1)0.001(1)0.000(1)
0.012(2)0.005(1)0.018(2)0.001(1)0.008(1)-.001(1)
0.008(1)0.008(1)0.003(1)0.002(1)-.001(1)0.000(1)
0.013(2)0.007(1)0.014(2)0.000(1)0.007(1)0.001(1)
0.007(1)0.008(1)0.006(1)0.001(1)0.003(1)0.000(1)
0.007(1)0.007(1)0.008(1)0.000(1)0.005(1)-.001(1)
0.007(1)0.008(1)0.008(1)-.001(1)0.005(1)-.001(1)
0.006(1)0.006(1)0.007(1)0.000(1)0.005(1)-.001(1)
0.008(1)0.006(1)0.006(1)0.000(1)0.003(1)-.001(1)
0.008(1)0.008(1)0.007(1)0.000(1)0.002(1)0.001(1)
0.008(1)0.007(1)0.007(1)-.001(1)0.000(1)0.001(1)
0.006(1)0.005(1)0.008(1)0.000(1)0.002(1)0.000(1)
0.008(1)0.008(1)0.006(1)-.001(1)0.001(1)0.001(1)
0.009(1)0.006(1)0.006(1)0.000(1)0.002(1)0.001(1)
0.009(3)0.015(3)0.014(3)0.002(2)0.003(2)0.005(2)
0.011(3)0.015(3)0.009(3)0.001(2)0.004(2)-.003(2)
0.017(3)0.012(3)0.022(3)-.008(2)0.013(3)-.001(2)
0.021(3)0.015(3)0.018(3)0.007(3)0.010(3)0.003(2)
0.007(3)0.015(3)0.015(3)-.005(2)0.005(2)-.008(2)
0.013(3)0.011(3)0.011(3)0.000(2)0.002(2)0.009(2)
0.016(3)0.013(3)0.003(2)0.001(2)0.007(2)-.003(2)
0.018(3)0.011(3)0.015(3)-.009(2)0.004(2)-.001(2)
0.006(3)0.015(3)0.012(2)0.007(2)0.002(2)0.003(2)
0.011(3)0.008(3)0.005(2)-.001(2)0.001(2)-.004(2)
0.010(3)0.010(3)0.017(3)-.001(2)0.005(2)-.001(2)
0.017(3)0.010(3)0.010(3)0.004(2)0.002(2)0.000(2)
0.005(3)0.016(3)0.010(2)-.001(2)0.002(2)-.007(2)
0.011(3)0.011(3)0.016(3)0.002(2)0.005(2)0.006(2)
0.010(3)0.009(2)0.011(3)-.006(2)0.002(2)-.001(2)
0.018(3)0.008(3)0.000(2)0.000(2)0.008(2)0.000(2)
0.009(3)0.015(3)0.010(2)0.005(2)0.002(2)0.004(2)
0.012(3)0.011(3)0.009(3)0.000(2)0.004(2)-.003(2)
0.021(3)0.007(2)0.014(3)0.003(2)0.007(3)-.001(2)
0.013(3)0.007(2)0.011(3)0.000(2)0.008(2)-.001(2)
0.008(3)0.002(2)0.013(2)-.001(2)0.004(2)-.003(2)
0.007(3)0.018(3)0.008(3)0.000(2)-.002(2)0.000(2)
0.007(3)0.017(3)0.007(2)-.002(2)0.006(2)0.002(2)
0.008(3)0.010(3)0.012(3)-.001(2)0.005(2)0.001(2)
0.006(3)0.007(3)0.026(3)0.002(2)0.004(2)0.002(2)
0.007(3)0.015(3)0.006(2)0.005(2)0.006(2)0.001(2)
0.002(2)0.015(3)0.003(2)0.004(2)-.002(2)-.004(2)
0.012(3)0.002(2)0.007(2)-.002(2)0.000(2)0.005(2)
0.009(3)0.007(2)0.007(3)-.002(2)0.005(2)-.002(2)
0.003(2)0.011(2)0.012(3)-.001(2)0.008(2)0.002(2)
0.015(3)0.001(2)0.009(2)-.002(2)0.003(2)-.001(2)
0.006(3)0.016(3)0.015(3)0.000(2)0.000(2)-.001(2)
0.009(3)0.017(3)0.006(2)0.002(2)0.000(2)-.004(2)
0.011(3)0.019(3)0.009(3)-.004(2)0.008(2)-.002(2)
0.004(2)0.011(3)0.024(3)0.007(2)0.002(2)0.004(2)
0.015(3)0.002(2)0.013(2)0.001(2)0.006(2)0.002(2)
0.014(3)0.003(2)0.006(2)-.002(2)0.003(2)0.002(2)
0.011(3)0.012(3)0.003(2)0.000(2)0.006(2)-.002(2)
0.008(3)0.004(2)0.023(3)-.001(2)0.005(2)0.001(2)
0.008(3)0.017(3)0.007(3)-.003(2)-.001(2)-.003(2)
0.000(2)0.002(2)0.012(2)0.002(1)0.002(1)-.003(1)
0.000(2)0.002(2)0.012(2)0.002(1)0.002(1)-.003(1)
0.013(2)0.015(2)0.018(2)-.004(2)0.007(2)0.008(2)
0.013(2)0.015(2)0.018(2)-.004(2)0.007(2)0.008(2)
0.006(2)0.007(2)0.006(2)0.000(1)-.004(2)-.005(1)
0.006(2)0.007(2)0.006(2)0.000(1)-.004(2)-.005(1)
0.009(2)0.016(2)0.028(3)-.006(2)0.007(2)0.013(2)
0.009(2)0.016(2)0.028(3)-.006(2)0.007(2)0.013(2)
0.032(3)0.032(3)0.012(2)-.011(2)0.005(2)0.001(2)
0.032(3)0.032(3)0.012(2)-.011(2)0.005(2)0.001(2)
0.018(3)0.028(3)0.007(2)0.004(2)0.009(2)0.002(2)
0.018(3)0.028(3)0.007(2)0.004(2)0.009(2)0.002(2)
0.064(4)0.017(2)0.028(3)0.016(2)-.021(2)-.007(2)
0.064(4)0.017(2)0.028(3)0.016(2)-.021(2)-.007(2)
0.030(3)0.012(2)0.012(2)-.007(2)-.007(2)0.002(2)
0.030(3)0.012(2)0.012(2)-.007(2)-.007(2)0.002(2)
0.063(4)0.023(2)0.024(2)-.030(2)-.018(2)0.010(2)
0.063(4)0.023(2)0.024(2)-.030(2)-.018(2)0.010(2)
0.081(4)0.021(2)0.020(2)0.036(2)-.028(2)-.015(2)
0.081(4)0.021(2)0.020(2)0.036(2)-.028(2)-.015(2)
000000

Current PHP version: 4.3.8 - Current MySQL version: 4.0.21
Demo database
(The Full database will be used, if you are licensed, after the first query is entered)

Copying or publishing either the ICSD data or software without written permission is illegal.
The ICSD database is copyright © 2015 by Fachinformationszentrum (FIZ) Karlsruhe
The PHP-mySQL WWW interface is copyright © 2003-2015 by Peter Hewat
The 3D crystal structure visualisation software, xtal-3d is copyright © 1994-2015 by Marcus Hewat
The PHP-JMOL drawing software is copyright © 2006-2015 by Alan Hewat
Please report technical problems with ICSD for WWW to alan.hewat[a]neutronoptics.com (Alan Hewat).