American Mineralogist Crystal Structure Database

2 matching records for this search.

Grossular
Download hom/grossular.pdf
Allen F M, Buseck P R
Download am/vol73/AM73_568.pdf
American Mineralogist 73 (1988) 568-584
XRD, FTIR, and TEM studies of optically anisotropic grossular garnets
Sample: before heating
Note: Data was obtained from the ICSD
_database_code_amcsd 0001147
11.845 11.858 11.846 90 90 90 I-1
atom     x     y     z occ  Uiso
Ca1  .1251 .0001 .2499 .84 .0079
Fe1  .1251 .0001 .2499 .16 .0079
Ca2   .625     0   .25  .8 .0079
Fe2   .625     0   .25  .2 .0079
Ca3  .0001   .25  .125  .9  .008
Fe3  .0001   .25  .125  .1  .008
Ca4     .5   .75  .125 .77 .0084
Fe4     .5   .75  .125 .23 .0084
Ca5    .25  .125     0 .77 .0081
Fe5    .25  .125     0 .23 .0081
Ca6    .25  .625     0 .87 .0078
Fe6    .25  .625     0 .13 .0078
Al1      0     0     0 .86 .0075
Fe7      0     0     0 .14 .0075
Al2     .5     0     0 .81 .0067
Fe8     .5     0     0 .19 .0067
Al3    .25   .25   .25     .0064
Al4    .75   .25   .25 .85 .0067
Fe9    .75   .25   .25 .15 .0067
Al5      0    .5     0 .93  .007
Fe10     0    .5     0 .07  .007
Al6     .5    .5     0 .84 .0073
Fe11    .5    .5     0 .16 .0073
Al7    .25   .75   .25 .85  .007
Fe12   .25   .75   .25 .15  .007
Al8    .75   .75   .25 .88 .0061
Fe13   .75   .75   .25 .12 .0061
Si1   .375 .0001 .2502     .0063
Si2  .8751 .0001 .2499     .0062
Si3  .0001   .75 .1249     .0066
Si4  .4999   .25  .125     .0066
Si5  .2499 .3749 .0002     .0064
Si6  .7503  .125     0     .0064
O1   .5383 .5457 .1516     .0081
O2   .0379 .4545 .1512     .0084
O3   .9018 .2957 .2882     .0085
O4   .4016 .7042 .2883     .0089
O5   .6519 .0382  .046     .0083
O6   .1512  .962 .0456     .0085
O7   .7043 .7118 .0982     .0084
O8   .2043  .288 .0987     .0085
O9   .0457 .6516 .0382     .0087
O10  .5458 .3485 .0383     .0084
O11  .2121 .5984 .2042     .0077
O12  .7116 .4016 .2041     .0086
O13   .538 .4543 .3486     .0085
O14  .0381 .5457 .3481     .0083
O15  .0988 .2042 .2883     .0082
O16  .5982 .7958 .2882     .0086
O17  .8486 .5386 .0457     .0086
O18  .3483 .4618 .0461     .0087
O19  .2957 .7888 .0984     .0086
O20   .796 .2116 .0982     .0087
O21  .4539  .152 .0385     .0087
O22  .9542 .8486 .0385     .0084
O23   .712 .5981 .2961     .0086
O24  .2117 .4015 .2954     .0087
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Grossular
Download hom/grossular.pdf
Allen F M, Buseck P R
Download am/vol73/AM73_568.pdf
American Mineralogist 73 (1988) 568-584
XRD, FTIR, and TEM studies of optically anisotropic grossular garnets
Sample: after heating
Note: Data was obtained from the ICSD
_database_code_amcsd 0001148
11.837 11.840 11.836 90.01 89.98 90 I-1
atom     x     y      z occ  Uiso
Ca1   .125     0    .25 .85 .0076
Fe1   .125     0    .25 .15 .0076
Ca2  .6249     0    .25 .86 .0075
Fe2  .6249     0    .25 .14 .0075
Ca3  .0001 .2499  .1251 .84 .0076
Fe3  .0001 .2499  .1251 .16 .0076
Ca4     .5   .75  .1251 .81 .0078
Fe4     .5   .75  .1251 .19 .0078
Ca5    .25  .125  .0001 .78 .0078
Fe5    .25  .125  .0001 .22 .0078
Ca6    .25  .625  .0001 .81 .0076
Fe6    .25  .625  .0001 .19 .0076
Al1      0     0      0 .88 .0064
Fe7      0     0      0 .12 .0064
Al2     .5     0      0 .87 .0067
Fe8     .5     0      0 .13 .0067
Al3    .25   .25    .25  .9 .0061
Fe9    .25   .25    .25  .1 .0061
Al4    .75   .25    .25 .91 .0061
Fe10   .75   .25    .25 .09 .0061
Al5      0    .5      0 .87 .0068
Fe11     0    .5      0 .13 .0068
Al6     .5    .5      0  .9  .006
Fe12    .5    .5      0  .1  .006
Al7    .25   .75    .25 .89 .0061
Fe13   .25   .75    .25 .11 .0061
Al8    .75   .75    .25  .9 .0057
Fe14   .75   .75    .25  .1 .0057
Si1  .3751     0    .25      .006
Si2  .8751     0  .2501      .006
Si3  .0001 .7499  .1251      .006
Si4  .5001 .2499  .1251      .006
Si5    .25 .3751 -.0001     .0058
Si6  .7501  .125  .0001     .0058
O1   .5384 .5457  .1516     .0078
O2   .0382 .4544  .1515     .0075
O3   .9017 .2957  .2878     .0079
O4   .4017 .7042  .2883     .0081
O5   .6516 .0382  .0457     .0077
O6   .1516 .9619  .0461     .0081
O7   .7041 .7119  .0981     .0081
O8   .2042 .2882  .0982     .0083
O9   .0458 .6515  .0384     .0079
O10   .546 .3484  .0383     .0076
O11  .2118 .5985  .2041     .0076
O12  .7116 .4014  .2041     .0078
O13  .5382 .4541  .3482     .0082
O14   .038 .5458  .3483      .008
O15  .0983 .2043  .2879     .0082
O16  .5983 .7958  .2878      .008
O17  .8483 .5383  .0454     .0082
O18  .3481 .4618  .0456      .008
O19  .2957 .7883  .0984     .0084
O20  .7958 .2118  .0983     .0079
O21  .4542 .1515  .0381     .0081
O22  .9542 .8484   .038      .008
O23  .7115 .5984  .2958     .0074
O24  .2119 .4016  .2959     .0078
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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Total number of retrieved datasets: 2
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