Heulandite
Yang P, Armbruster T
European Journal of Mineralogy 10 (1998) 461-471
X-ray single-crystal structure refinement of NH4-exchanged
heulandite at 100 K
_database_code_amcsd 0006729
17.738 17.974 7.416 90 115.91 90 C2/m
atom       x      y      z  occ  Biso
N1     .0072  .1010   .403   .5   6.8
N3    -.2416    1/2 -.0544        3.4
N14     .507      0   .414  .24  3.27
SiT1  .17857 .16916  .0971 .857   .99
AlT1  .17857 .16916  .0971 .143   .99
SiT2  .28355 .08899  .4890  .52  1.00
AlT2  .28355 .08899  .4890  .48  1.00
SiT3  .29252 .30907  .2865 .808   .97
AlT3  .29252 .30907  .2865 .192   .97
SiT4  .06787 .29826  .4213 .887  1.09
AlT4  .06787 .29826  .4213 .113  1.09
SiT5       0 .22078      0 .659  1.39
AlT5       0 .22078      0 .341  1.39
O1     .3029      0  .5399       2.13
O2     .2332  .1210  .6155       2.35
O3     .1899  .1559 -.1062       2.54
O4     .2248  .1005  .2445       2.60
O5         0  .3256    1/2       2.86
O6     .0803  .1657  .0457       2.90
O7     .3789  .2723  .4512       2.71
O8     .0154  .2749  .1895       3.60
O9     .2182  .2478  .2026       2.07
O10    .1253  .3698  .4393       3.11
Wat1   .0709      0   .161  .81   9.4
Wat2    .473      0   .846  .29   9.7
Wat3    .072      0  -.243  .50  12.2
Wat4       0   .436      0  .16   5.3
Wat5    .390    1/2   .375  .36  8.76
Wat8    .387  -.104   .108  .24  7.68
Wat9    .451   .544   .737  .24 14.90
Wat10   .400  -.101   .029  .13   .70
Wat11   .575  -.088   .002  .34   8.9
Wat12   .077   .436  -.111  .26  6.56
Wat14   .482      0   .480  .34   7.1
H11        0   .126    1/2   .5  9.47
H12     .043   .063   .461   .5  9.47
H13    -.042   .082    .32   .5  9.47
H14     .029   .131    .34   .5  9.47
H31    -.216    1/2   -.13       9.47
H32    -.298    1/2   -.13       9.47
H33    -.227   .536   .035       9.47