Ettringite
	Moore A E, Taylor H F W
	Acta Crystallographica B26 (1970) 386-393
	Crystal structure of ettringite
	Locality: Scawt Hill, Northern Ireland
	_database_code_amcsd 0009368
	11.26 11.26 21.48 90 90 120 P31c
	atom x y z occ Biso
	Al1 0 0 .000 1.2
	Al2 0 0 .250 1.2
	Ca1 .009 .816 .875 1.7
	Ca2 .994 .189 .125 1.8
	OH1 .994 .134 .948 2.2
	OH2 .996 .865 .057 1.0
	OH3 .004 .146 .805 1.6
	OH4 .004 .876 .198 1.0
	Wat5 .000 .348 .047 3.9
	Wat6 .010 .663 .958 1.8
	Wat7 .997 .345 .199 3.6
	Wat8 .996 .655 .788 3.1
	Wat9 .263 .405 .618 2.9
	Wat10 .744 .593 .374 4.8
	Wat11 .259 .406 .126 4.8
	Wat12 .768 .598 .870 1.7
	O13 1/3 2/3 .420 1.9
	O14 1/3 2/3 .814 7.8
	O15 1/3 2/3 .070 4.2
	O16 .195 .642 .518 4.7
	O17 .195 .620 .723 4.3
	O18 .192 .585 .982 2.1
	Wat19 .197 .637 .243 .56 5.4
	S1 1/3 2/3 .491 2.2
	S2 1/3 2/3 .750 1.6
	S3 1/3 2/3 .009 1.4
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Ettringite
	Moore A, Taylor H F W
	Nature 218 (1968) 1048-1049
	Crystal structure of ettringite
	Locality: Scawt Hill, Northern Ireland
	_database_code_amcsd 0014674
	11.23 11.23 10.72 90 90 120 P6_3/mcm
	atom x y z occ Uiso
	Ca .1913 0 .25 .0214
	Al 0 0 0 .0122
	S 1/3 2/3 0 .75 .0215
	O1 1/3 2/3 .1436 .375 .0420
	O2 .4035 .8070 .0527 .375 .0685
	OH .1353 0 .6088 .0268
	Wat1 1/3 2/3 0 .25 .0215
	Wat2 .3420 0 .0877 .0317
	Wat3 .2557 .4095 .25 .0528
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure

Download in: Amc Format Cif Format Diffraction data

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then hitting the "Download Selected Data" button.

Total number of retrieved datasets: 2
View in amc, download in amc