American Mineralogist Crystal Structure Database

4 matching records for this search.

(NH3CH3)Al(SO4)2*12H2O
 
Abdeen A M, Will G, Schafer W, Kirfel A, Bargouth M O, Recker K, Weiss A
Download zk/vol157/ZK157_147.pdf
Zeitschrift fur Kristallographie 157 (1981) 147-166
X-ray and neutron diffraction study of alums
II. The crystal structure of methylammonium aluminium alum
III. The crystal structure of ammonium aluminium alum
Sample: neutron data
_database_code_amcsd 0010841
12.314 12.314 12.314 90 90 90 Pa3
atom     x     y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
N    .5156 .5156 .5156  .5  2.7  .0044  .0044  .0044  .0009  .0009  .0009
Hn   .0837 .5363 .0275  .5  6.2  .0012  .0120  .0175  .0010  .0016  .0017
C    .4501 .4501 .4501  .5  9.8  .0162  .0162  .0162 -.0015 -.0015 -.0015
Hc   .3851 .5072 .4134  .5 13.2
Al       0     0     0      1.8  .0030  .0030  .0030      0      0      0
S    .3022 .3022 .3022      1.9  .0031  .0031  .0031 -.0015 -.0015 -.0015
Os1  .2341 .2341 .2341      4.9  .0080  .0080  .0080  .0006  .0006  .0006
Os2  .6911 .7530 .0914      4.5  .0057  .0118  .0048 -.0014  .0017 -.0051
Ow1  .8521 .9810 .0185      2.2  .0022  .0044  .0042 -.0003  .0011  .0002
Ow2  .0419 .1373 .2975      2.9  .0053  .0056  .0035 -.0002 -.0019 -.0017
H1   .5423 .2018 .4728      2.5  .0014  .0044  .0063 -.0018 -.0009 -.0001
H2   .4132 .1846 .4502      3.1  .0052  .0041  .0059  .0021 -.0019 -.0005
H3   .2143 .4941 .1944      4.1  .0066  .0074  .0063 -.0008  .0029  .0023
H4   .2148 .6103 .1697      4.0  .0090  .0045  .0063 -.0005  .0013  .0001
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
(NH3CH3)Al(SO4)2*12H2O
 
Abdeen A M, Will G, Schaefer W, Kirfel A, Bargouth M O, Recker K, Weiss A
Download zk/vol157/ZK157_147.pdf
Zeitschrift fur Kristallographie 157 (1981) 147-166
X-ray and neutron diffraction study of alums
II. The crystal structure of methylammonium aluminium alum
III. The crystal structure of ammonium aluminium alum
Sample: X-ray data
_database_code_amcsd 0010842
12.322 12.322 12.322 90 90 90 Pa3
atom     x      y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
N    .5137  .5137 .5137  .5  3.4  .0056  .0056  .0056  .0004 -.0004 -.0004
C    .4504  .4504 .4504  .5  6.6  .0109  .0109  .0109 -.0040 -.0040 -.0040
Al       0      0     0      2.3  .0037  .0037  .0037      0      0      0
S    .3020   .302  .302      2.8  .0046  .0046  .0046  .0012  .0012  .0012
Os1  .2324  .2324 .2324      6.6  .0108  .0108  .0108 -.0008 -.0008 -.0008
Os2  .6932  .7523 .0917      5.5  .0065  .0132  .0075 -.0042  .0018 -.0065
Wat1 .8497  .9803 .0197      2.6  .0036  .0051  .0043 -.0002  .0004  .0007
Wat2 .0420  .1351 .2965      3.6  .0064  .0057  .0057 -.0001 -.0007 -.0004
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tschermigite
Download hom/tschermigite.pdf
Abdeen A M, Will G, Schaefer W, Kirfel A, Bargouth M O, Recker K, Weiss A
Download zk/vol157/ZK157_147.pdf
Zeitschrift fur Kristallographie 157 (1981) 147-166
X-ray and neutron diffraction study of alums
II. The crystal structure of methylammonium aluminium alum
III. The crystal structure of ammonium aluminium alum
Locality: synthetic
Sample: X-ray data
_database_code_amcsd 0010843
12.242 12.242 12.242 90 90 90 Pa3
atom     x      y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
N    .5082  .5082 .5082   .5 2.88  .0048  .0048  .0048  .0003  .0003  .0003
Al       0      0     0      1.68  .0027  .0027  .0027      0      0      0
S    .3083  .3083 .3083      2.04  .0034  .0034  .0034  .0006  .0006  .0006
Os1  .2401  .2401 .2401 .831 4.68  .0078  .0078  .0078 -.0021 -.0021 -.0021
Os2  .3130  .2652 .4199 .831 3.68  .0055  .0084  .0045  .0030  .0012  .0033
Os1' .3709  .3709 .3709 .169 8.93  .0149  .0149  .0149 -.0062 -.0062 -.0062
Os2' .2098  .3701 .2889 .169 8.41  .0100  .0218  .0103  .0142  .0053  .0134
Wat1 .0171 -.0162 .1520      2.24  .0047  .0038  .0027  .0001 -.0003  .0001
Wat2 .0454  .1377 .2979      3.22  .0059  .0047  .0055  .0005 -.0011 -.0009
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tschermigite
Download hom/tschermigite.pdf
Abdeen A M, Will G, Schafer W, Kirfel A, Bargouth M O, Recker K, Weiss A
Download zk/vol157/ZK157_147.pdf
Zeitschrift fur Kristallographie 157 (1981) 147-166
X-ray and neutron diffraction study of alums:
II. The crystal structure of methylammonium aluminium alum
III. The crystal structure of ammonium aluminium alum
Note: Neutron data
_database_code_amcsd 0010844
12.248 12.248 12.248 90 90 90 Pa3
atom     x     y     z  occ  Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
N    .5070 .5070 .5070   .5  1.62  .0027  .0027  .0027 -.0013 -.0013 -.0013
Hn1  .4389 .4389 .4389   .5 10.73  .0179  .0179  .0179  .0095  .0095  .0095
Hn2  .4375 .4969 .5314   .5  8.07  .0116  .0251  .0037 -.0010  .0028 -.0054
Al       0     0     0       1.92  .0032  .0032  .0032      0      0      0
S    .3111 .3111 .3111       4.02  .0067  .0067  .0067  .0012  .0012  .0012
O1A  .2385 .2385 .2385 .831  5.69  .0095  .0095  .0095  .0001  .0001  .0001
O1B  .3831 .3831 .3831 .169  9.65  .0161  .0161  .0161 -.0077 -.0077 -.0077
O2A  .3137 .2640 .4199 .831  3.59  .0045  .0083  .0052  .0029  .0020  .0036
O2B  .2105 .3556 .2823 .169 11.33  .0058  .0367  .0142  .0072 -.0021  .0090
Ow1  .0177 .9829 .1530       2.38  .0057  .0022  .0040 -.0010  .0005 -.0011
Ow2  .0442 .1367 .2990       3.18  .0063  .0034  .0062 -.0005  .0019 -.0007
H1   .0275 .0432 .2059       3.70  .0056  .0087  .0042 -.0001 -.0001  .0006
H2   .0429 .9171 .1874       3.28  .0085  .0042  .0037  .0007 -.0035  .0006
H3   .9958 .1965 .2834       4.86  .0090  .0089  .0064  .0012 -.0021 -.0005
H4   .1182 .1676 .2937       6.19  .0092  .0085  .0132  .0004 -.0059 -.0040
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Download in:

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 4
View in amc, download in amc

Return to AMCSD Home Page