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=200803 Help
TitleCrystal structure of natural monoclinic kurchatovite Ca2 (Mg0.86 Fe0.14) (Mg0.92 Fe0.08) (B2 O5)2.
AuthorsSimonov, M.A.; Egorov-Tismenko, Yu.K.; Yamnova, M.A.; Belokoneva, E.L.; Belov, N.V.
ReferenceDoklady Akademii Nauk SSSR (1980) 251, 1125-1128
Link XRef SCOPUS SCIRUS Google
CompoundB4 Ca2 Fe0.22 Mg1.78 O10 - [Clinokurchatovite] Calcium magnesium iron diborate (2/1.8/0.2/2) [ABC2X5] [mP72] [e18] []
Cell12.45, 5.514, 11.145, 90., 90., 104.13
P1121/B (14) V=741.95
RemarksR=0.046000 : PDF =43-689 : MIN =Clinokurchatovite :
Calculated density unusual but tolerable.
PDF 43-689

Atom (site) Oxid. x, y, z, B, Occupancy
Ca1(4e)2
Ca2(4e)2
Mg1(4e)2
Fe1(4e)2
Mg2(4e)2
Fe2(4e)2
O1(4e)-2
O2(4e)-2
O3(4e)-2
O4(4e)-2
O5(4e)-2
O6(4e)-2
O7(4e)-2
O8(4e)-2
O9(4e)-2
O10(4e)-2
B1(4e)3
B2(4e)3
B3(4e)3
B4(4e)3
0.58981(4)0.93362(8)0.37295(4)0.61
0.09302(4)0.46114(8)0.38168(4)0.631
0.26278(5)0.5108(1)0.12778(6)0.310.86
0.26278(5)0.5108(1)0.12778(6)0.310.14
0.76430(6)0.0096(1)0.12796(6)0.280.92
0.76430(6)0.0096(1)0.12796(6)0.280.08
0.4422(1)0.5513(3)0.3721(2)0.751
0.9433(1)0.0723(3)0.3902(2)0.711
0.4307(1)0.6151(3)0.0817(2)0.681
0.0953(1)0.4133(3)0.1696(2)0.761
0.9338(1)0.1314(3)0.0932(2)0.691
0.7750(1)0.1730(3)0.4555(2)0.731
0.7690(1)0.8664(3)0.3047(2)0.681
0.2822(1)0.6744(3)0.3023(2)0.671
0.2605(1)0.3580(3)0.4503(2)0.691
0.5956(1)0.8817(3)0.1592(2)0.741
0.8272(2)0.0384(4)0.3833(2)0.581
0.3263(2)0.5284(4)0.3758(2)0.61
0.9913(2)0.3647(4)0.1243(2)0.631
0.4892(2)0.8412(4)0.1199(2)0.61

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).