Pumpellyite-(Al)
Yoshiasa A, Matsumoto T
American Mineralogist 70 (1985) 1011-1019
Crystal structure refinement and crystal chemistry of pumpellyite
_database_code_amcsd 0000999
8.812 5.895 19.116 90 97.41 90 A2/m
atom      x      y      z occ Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Ca1  .25033     .5 .33962          .00221 .00591 .00031  .00000  .00028  .00000
Ca2  .19044     .5 .15453          .00558 .00380 .00034  .00000 -.00009  .00000
AlM2     .5    .25    .25  .8      .00289 .00479 .00055  .00012  .00032  .00004
FeM2     .5    .25    .25  .2      .00289 .00479 .00055  .00012  .00032  .00004
AlM1 .25469 .24585 .49589          .00165 .00315 .00033  .00008  .00022 -.00004
Si1  .05055      0 .08966          .00150 .00418 .00034  .00000  .00011  .00000
Si2  .16539      0 .24764          .00209 .00401 .00038  .00000 -.00003  .00000
Si3  .46524      0 .40323          .00156 .00432 .00029  .00000  .00016  .00000
O1   .13767 .22615 .07086          .00253 .00450 .00055 -.00044  .00038  .00002
O2   .26532 .23090 .24597          .00381 .00498 .00059 -.00015 -.00004  .00008
O3   .36694 .22415 .41795          .00283 .00522 .00056  .00112  .00051  .00013
O4   .13068     .5 .44515          .00201 .00500 .00053  .00000  .00005  .00000
O5   .13328      0 .45815          .00193 .00596 .00065  .00000  .00009  .00000
O6   .36919     .5 .04487          .00205 .00453 .00053  .00000 -.00010  .00000
O7   .36712      0 .03267          .00179 .00610 .00071  .00000 -.00004  .00000
O8   .03611      0 .17546          .00203 .01072 .00029  .00000  .00006  .00000
O9   .47856     .5 .17585          .00242 .01330 .00048  .00000  .00033  .00000
O10  .06645      0 .31367          .00354 .01772 .00053  .00000  .00022  .00000
O11  .50216     .5 .31488          .00281 .01128 .00057  .00000  .00040  .00000
H5     .069      0   .466      1.1
H7     .444      0   .045       .3
H10    .092      0   .343      5.4
H11    .443      0   .155      3.0