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=87674 Help
TitleRietveld refinement of the crystallographic structure of human dental enamel apatites.
AuthorsWilson, R.M.;Elliott, J.C.;Dowker, S.E.P.
ReferenceAmerican Mineralogist (1999) 84, 1406-1414
Link XRef SCOPUS SCIRUS Google
CompoundC0.83 H2.26 Ca9.383 Mg0.049 Na0.21 O25.43 P5.17 - [Apatite] Calcium sodium magnesium phosphate(V) carbonate hydroxide * [A6B10X25] [hP43] [i h4 f e] []
Cell9.4343(22), 9.4343(22), 6.8681(16), 90., 90., 120.
P63/M (176) V=529.4
RemarksR=0.072000 : DEF MIN =Apatite : RVP XDP
Deviation of the charge sum from zero tolerable.
At least one temperature factor missing in the paper.
A site occupation is implausible or meaningless but agrees with the paper.
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.
Difference between the formula calculated from the PARM record and the FORM record tolerable.

Atom (site) Oxid. x, y, z, B, Occupancy
Ca1(4f)2
Na1(4f)1
Mg1(4f)2
Ca2(6h)2
Na2(6h)1
Mg2(6h)2
P1(6h)5
C1(6h)4
O1(6h)-2
O2(6h)-2
O3(12i)-2
O4(4e)-2
H1(4e)1
H2(4e)1
0.33330.66670.0024(6)00.973
0.33330.66670.0024(6)00.022
0.33330.66670.0024(6)00.005
0.2442(3)0.9880(4)0.2500.915
0.2442(3)0.9880(4)0.2500.02
0.2442(3)0.9880(4)0.2500.005
0.3975(6)0.3668(5)0.2500.862
0.3975(6)0.3668(5)0.2500.138
0.3254(9)0.4863(10)0.2500.908
0.5684(9)0.4542(9)0.2501.03
0.3445(7)0.2604(6)0.0697(7)00.936
000.1747(25)00.565
000.060800.23
00.335

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).