Buddingtonite
	Mookherjee M, Redfern S A T, Swainson I, Harlov D E
	Physics and Chemistry of Minerals 31 (2004) 643-649
	Low-temperature behaviour of ammonium ion in buddingtonite
	[N(D/H)4AlSi3O8] from neutron powder diffraction
	Sample: T = 11 K
	_database_code_amcsd 0008919
	8.79182 13.11084 7.20473 90 116.097 90 C2/m
	atom x y z occ Uiso
	N .2903 0 .1424 .01452
	D1 .4147 .0190 .2066 .5 .03999
	D2 .2614 -.0311 .2518 .5 .03999
	D3 .2659 -.0513 .0275 .5 .03999
	D4 .2191 .0634 .0838 .5 .03999
	Al1 .7070 .1179 .3447 .25 .00056
	Si1 .7070 .1179 .3447 .75 .00056
	Al2 .0167 .1881 .2347 .25 .00243
	Si2 .0167 .1881 .2347 .75 .00243
	O1 0 .1580 0 -.00506
	O2 .6607 0 .2950 -.00506
	O3 .8274 .1587 .2252 -.00506
	O4 .0399 .3123 .2624 -.00506
	O5 .1713 .1260 .4071 -.00506
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Buddingtonite
	Mookherjee M, Redfern S A T, Swainson I, Harlov D E
	Physics and Chemistry of Minerals 31 (2004) 643-649
	Low-temperature behaviour of ammonium ion in buddingtonite
	[N(D/H)4AlSi3O8] from neutron powder diffraction
	Sample: T = 210 K
	_database_code_amcsd 0008920
	8.81611 13.09609 7.20155 90 116.121 90 C2/m
	atom x y z occ Uiso
	N .2949 0 .1473 .02367
	D1 .4155 .0198 .2159 .5 .07414
	D2 .2629 -.0317 .2497 .5 .07414
	D3 .2765 -.0495 .0354 .5 .07414
	D4 .2247 .0614 .0879 .5 .07414
	Al1 .7062 .1176 .3456 .25 -.00168
	Si1 .7062 .1176 .3456 .75 -.00168
	Al2 .0213 .1931 .2373 .25 .00965
	Si2 .0213 .1931 .2373 .75 .00965
	O1 0 .1584 0 -.00129
	O2 .6625 0 .2928 -.00129
	O3 .8267 .1583 .2245 -.00129
	O4 .0419 .3120 .2631 -.00129
	O5 .1695 .1264 .4086 -.00129
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Buddingtonite
	Mookherjee M, Redfern S A T, Swainson I, Harlov D E
	Physics and Chemistry of Minerals 31 (2004) 643-649
	Low-temperature behaviour of ammonium ion in buddingtonite
	[N(D/H)4AlSi3O8] from neutron powder diffraction
	Sample: T = 280 K
	_database_code_amcsd 0008921
	8.83157 13.08541 7.20024 90 116.147 90 C2/m
	atom x y z occ Uiso
	N .2955 0 .1486 .03027
	D1 .4170 .0200 .2186 .5 .09924
	D2 .2647 -.0360 .2492 .5 .09924
	D3 .2762 -.0465 .0303 .5 .09924
	D4 .2244 .0625 .0961 .5 .09924
	Al1 .7065 .1192 .3474 .25 .01270
	Si1 .7065 .1192 .3474 .75 .01270
	Al2 .0222 .1936 .2365 .25 .01079
	Si2 .0222 .1936 .2365 .75 .01079
	O1 0 .1584 0 .00317
	O2 .6652 0 .2898 .00317
	O3 .8265 .1580 .2236 .00317
	O4 .0418 .3123 .2631 .00317
	O5 .1697 .1270 .4096 .00317
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)

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