Logar N Z, Mrak M, Kaucic V
Journal of Solid State Chemistry 156 (2001) 480-486
Syntheses and structures of two ammonium zinc gallophosphates: analcime
and paracelsian analogs
Sample: Paracelsian analog
_database_code_amcsd 0013993
9.406 9.881 8.612 90 90.58 90 P2_1/a
atom x y z occ Uiso
Zn1 .42888 .68297 .42092 .47 .0118
Ga1 .42888 .68297 .42092 .53 .0118
Zn2 .29326 .40952 .07177 .53 .0125
Ga2 .29326 .40952 .07177 .47 .0125
P1 .41784 .69354 .05396 .0113
P2 .27541 .40125 .44178 .0119
N .4090 .0751 .2519 .0255
O1 .3025 .5909 .0070 .0231
O2 .3105 .5451 .4942 .0243
O3 .3538 .8360 .0521 .0216
O4 .3440 .8522 .4530 .0223
O5 .5377 .6881 -.0647 .0233
O6 .5941 .6900 .5452 .0228
O7 .4784 .6589 .2141 .0242
O8 .2205 .3977 .2745 .0261
H1 .50 .075 .271 .06
H2 .40 .01 .23 .10
H3 .38 .13 .32 .10
H4 .36 .11 .18 .14
Sample: analcime analog
Note: changed O1(x,y) and O3(x,y,z) to match reported bond distances
_database_code_amcsd 0013994
13.456 13.456 13.456 90 90 90 I2_13
Zn .42149 .62197 .84935 2/3 .0140
Ga .42149 .62197 .84935 1/3 .0140
P .3680 .8301 .9055 .0140
O1 .3782 .7222 .9419 .020
O2 .5575 .6475 .8215 .019
O3 .3523 .7424 .8361 .031
O4 .4026 .4895 .8905 .031
N1 .3576 .3576 .3576 .0250
N2 .6234 .6234 .6234 .032
H1 .3410 .4405 .3707 .029
H2 .3167 .3167 .3167 .029
H3 .5886 .6420 .7008 .029
H4 .5779 .5779 .5779 .029
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