Armstrongite
Kabalov Y K, Zubkova N V, Pushcharovsky D Y, Schneider J, Sapozhnikov A N
Zeitschrift fur Kristallographie 215 (2000) 757-761
Powder Rietveld refinement of armstrongite, CaZr[Si6O15]*3H2O
Locality: granite pegmatites and alkaline granites in Mongolia
_database_code_amcsd 0019061
14.018 14.133 7.840 90 109.40 90 C2
atom        x    y    z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca       .253 .252 .040  .91       .0005  .0011   .033   .003   .004  .0002
Na       .253 .252 .040  .09       .0005  .0011   .033   .003   .004  .0002
Zr       .252   .0 .002  .96       .0031  .0027   .024   .001  .0077  .0003
Y        .252   .0 .002  .03       .0031  .0027   .024   .001  .0077  .0003
Ti       .252   .0 .002  .01       .0031  .0027   .024   .001  .0077  .0003
Si       .177 .137 .335             .003   .001   .011   .001   .001   .002
Si(2)    .199 .367 .345             .006   .002   .013   .001   .006   .001
Si(3)    .340 .364 .735             .002   .002   .014   .001   .003 -.0002
Si(4)    .336 .142 .717             .001   .001   .020  .0002   .005   .004
Si(5)   -.002 .005 .301             .005   .005    .01  -.002   .001  -.001
Si(6)    .008 .491 .296             .002   .003   .006   .001 -.0001   .003
O(1)       .5 .478   .5        .1
O(2)       .0 .494   .5        .5
O(3)     .268 .118 .516        .5
O(4)     .250 .396 .553        .6
O(5)     .212 .105 .180        .8
O(6)     .310 .377 .913        .1
O(7)     .242 .415 .199       1.4
O(8)     .284 .112 .861        .3
O(9)     .182 .250 .320       .53
O(10)    .369 .253 .721        .4
O(11)    .064 .104 .320       1.2
O(12)    .450 .421 .777        .6
O(13)    .085 .403 .300       1.2
O(14)    .444 .092 .736        .2
O(15)   -.091 .475 .120       1.1
O(16)   -.114 .027 .182        .4
Wat(17)  .098 .242 .780       3.8
Wat(18)  .430 .227 .197       2.2
Wat(19)    .0 .320  1.0       4.9
Wat(20)    .0 .178   .5       3.2