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=85557 Help
TitleRossmanite, (Li Al2) Al6 (Si6 O18) (B O3)3 (O H)4, a new alkali-deficient tourmaline: description and crystal structure.
AuthorsSelway, J.B.;Novak, M.;Hawthorne, F.C.;Cerny, P.;Ottolini, L.;Kyser, T.K.
ReferenceIC&volume=83&fpage=896&details=yes target=icsd_help>American Mineralogist (1998) 83, 896-900
Link XRef SCOPUS Google
CompoundH4 Al8.17 B3 Li0.83 Na0.43 O31 Si6 - [Rossmanite] Sodium lithium aluminium hexasilicate borate hydroxide (0.43/0.83/8.17/1/3/4) [AB9C18D27X93] [hR53] [c5 b6 a2] []
Cell15.770(2), 15.770(2), 7.085(1), 90., 90., 120.
R3MH (160) V=1525.93
RemarksR=0.017000 : D M =Rossmanite :
Calculated density unusual but tolerable.
Deviation of the charge sum from zero tolerable.

Atom (site) Oxid. x, y, z, B, Occupancy
Na1(3a)1
Al1(9b)3
Li1(9b)1
Al2(18c)3
Si1(18c)4
B1(9b)3
O1(3a)-2
O2(9b)-2
O3(9b)-2
O4(9b)-2
O5(9b)-2
O6(18c)-2
O7(18c)-2
O8(18c)-2
H1(18c)1
000.8400.43
0.060.930.4300.72
0.060.930.4300.27
0.250.290.4601
0.180.190.0701
0.890.100.6101
000.3001
0.930.060.5801
0.120.870.5601
0.900.09-.0001
0.090.90-.0201
0.180.190.2901
0.280.28-.0001
0.270.200.6301
00.66
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Na1(3a)1
Al1(9b)3
Li1(9b)1
Al2(18c)3
Si1(18c)4
B1(9b)3
O1(3a)-2
O2(9b)-2
O3(9b)-2
O4(9b)-2
O5(9b)-2
O6(18c)-2
O7(18c)-2
O8(18c)-2
H1(18c)1
0.020.020.010.0100
0.000.000.000.000.00-.00
0.000.000.000.000.00-.00
0.000.000.000.00-.00-.00
0.000.000.000.000.000.00
0.000.000.000.000.000.00
0.020.020.000.0100
0.010.010.010.00-.000.01
0.000.000.00-.000.00-.00
0.000.000.00-.00-.000.00
0.000.000.00-.00-.000.00
0.000.000.000.000.000.00
0.000.000.000.000.00-.00
0.000.000.000.00-.00-.00
000000

Demo database


Copying or publishing either the ICSD data or software without written permission is illegal.
The ICSD database is copyright © 2018 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).