|
Al6Ca9O18 |
| |
Mondal P, Jeffery J |
 |
Acta Crystallographica B31 (1975) 689-697 |
|
The crystal structure of tricalcium aluminate, Ca3Al2O6 |
|
_cod_database_code 1000039 |
|
_database_code_amcsd 0009531 |
|
15.263 15.263 15.263 90 90 90 Pa3 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 0 0 0 .0060 .0060 .0060 .0028 .0028 .0028 |
|
Ca2 .5 0 0 .0084 .0084 .0084 .0001 .0001 .0001 |
|
Ca3 .2561 .2561 .2561 .0079 .0079 .0079 .0013 .0013 .0013 |
|
Ca4 .3750 .3750 .3750 .0117 .0117 .0117 .0027 .0027 .0027 |
|
Ca5 .1386 .3763 .1272 .0079 .0090 .0223 .0026 .0051 -.0010 |
|
Ca6 .3800 .3838 .1209 .0060 .0092 .0096 -.0011 .0023 .0011 |
|
Al1 .2526 .0133 .0197 .0056 .0058 .0080 -.0022 -.0003 -.0011 |
|
Al2 .2444 .2335 .0046 .0078 .0059 .0065 -.0011 .0015 .0009 |
|
O1 .2777 .1241 .0103 .0170 .0097 .0176 -.0002 -.0025 -.0039 |
|
O2 .4835 .1315 .2536 .0138 .0086 .0188 -.0039 .0014 -.0013 |
|
O3 .2664 .2841 .1049 .0083 .0182 .0098 -.0038 .0067 -.0061 |
|
O4 .2350 .4047 .2921 .0142 .0094 .0191 -.0011 .0077 .0054 |
|
O5 .3491 -.0385 -.0174 .0090 .0159 .0147 .0044 -.0062 -.0081 |
|
O6 .1509 -.0104 -.0242 .0066 .0154 .0142 .0062 .0047 .0010 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Afwillite |
 |
Malik K M A, Jeffery J W |
|
Acta Crystallographica B32 (1976) 475-480 |
|
A re-investigation of the structure of afwillite |
|
_database_code_amcsd 0009551 |
|
16.278 5.6321 13.236 90 134.898 90 Cc |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cal .19680 .03703 .29200 .0061 .0066 .0063 .0004 .0042 .0006 |
|
Ca2 .80171 .04990 .21213 .0067 .0110 .0078 -.0001 .0051 -.0025 |
|
Ca3 .50392 .02829 .03131 .0060 .0071 .0128 .0006 .0057 .0017 |
|
Si1 .11768 .05129 .00184 .0063 .0063 .0057 -.0006 .0042 -.0001 |
|
Si2 .86923 .98073 .00188 .0060 .0054 .0060 -.0001 .0043 .0001 |
|
O1 .99020 .90943 .34297 .0072 .0180 .0073 .0010 .0039 -.0008 |
|
O2 .00197 .90887 .15827 .0067 .0171 .0069 .0014 .0041 .0019 |
|
O3 .78272 .97821 .02343 .0089 .0123 .0100 -.0006 .0077 -.0002 |
|
O4 .21228 .05467 .98665 .0113 .0095 .0135 -.0021 .0103 -.0017 |
|
O5 .33680 .73414 .39691 .0093 .0072 .0075 .0010 .0108 .0036 |
|
O6 .36651 .26997 .44054 .0100 .0091 .0139 -.0009 .0080 -.0030 |
|
O7 .15230 .27093 .10640 .0102 .0073 .0099 -.0001 .0077 -.0016 |
|
O8 .13667 .80824 .08125 .0108 .0076 .0110 -.0002 .0084 .0017 |
|
O9 .59284 .89321 .26963 .0124 .0159 .0128 .0006 .0084 -.0022 |
|
O10 .41837 .96957 .26654 .0194 .0186 .0226 .0032 .0139 .0073 |
|
H21 .496 .415 .243 .102 |
|
H43 .228 .240 .000 .101 |
|
H93 .150 .450 .375 .140 |
|
H910 .030 .360 .270 .140 |
|
H101 .430 .105 .312 .197 |
|
H104 .346 .975 .164 .197 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
