H96 N8 O68 P16 Zn8
Reinert P, Zabukovec Logar N, Patarin J, Kaucic V
European Journal of Solid State and Inorganic Chemistry 35 (1998) 373-387
Synthesis and structure of (Zn8 (H P O4)8 (H2 P O4)8) ((C2 H8 N)8)*4(H2 O)
_cod_database_code 1004025
_database_code_amcsd 0012623
12.6450 10.8477 14.6311 90 98.793 90 Cc
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Zn1  .89857 .11832 .42272  .0148  .0186  .0143 -.0006 -.0016 -.0012
Zn2  .15261 .36613 .50127  .0146  .0217  .0143 -.0024 -.0013 -.0025
P1    .9153  .3713  .5415  .0120  .0185  .0189 -.0004 -.0031 -.0026
P2    .1350  .1087  .3845  .0137  .0188  .0169  .0035 -.0009 -.0010
P3    .1809  .5128 .31305  .0138  .0220  .0122 -.0030 -.0018 -.0003
P4    .3676  .4755 .61224  .0147  .0190  .0131  .0012 -.0011  .0008
O1    .0357  .3900  .5716   .015   .042   .012  -.002  -.002  -.004
O2    .1583  .1977  .4632   .042   .024   .024   .005  -.005  -.003
O3    .2667  .3990  .6005   .028   .054   .022  -.018  -.004  -.004
O4    .1380  .4800  .4006   .037   .037   .019   .007   .012   .012
O5    .0139  .0950  .3512   .008   .042   .019   .007  -.007   .001
O6    .8881  .2867  .4605   .035   .020   .025   .000  -.010  -.013
O7    .4072  .5002  .5213   .037   .031   .025   .009   .012   .009
O8    .2731  .6025  .3269   .019   .032   .020  -.008  -.018   .002
O9    .1856 -.0170  .4093   .023   .022   .030   .003  -.007  -.002
O10   .3539  .5936  .6659   .044   .020   .033  -.002   .018  -.002
O11   .0853  .5796  .2520   .022   .081   .019   .006  -.004   .008
O12   .8663  .5009  .5178   .026   .021   .034   .001  -.011  -.008
O13   .8634  .3256  .6264   .039   .033   .036  -.009   .020  -.007
O14   .4600  .3980  .6680   .033   .048   .024   .017  -.004   .000
O15   .2111  .3961  .2629   .064   .024   .051  -.014   .044  -.013
O16   .1865  .1543  .2995   .027   .033   .024  -.002   .008  -.001
N1    .2633  .8549  .2619   .040   .036   .026   .003  -.005   .001
C1    .8678   .399  .2482   .051   .067   .046  -.003   .008   .018
C2     .178  .8852  .1836   .075   .042   .037   .001  -.013  -.007
N2    .5444  .3133  .4744   .038   .033   .067   .001   .022  -.008
C3     .470   .257   .398   .052   .051   .092   .005   .001  -.011
C4    .5991   .226  .5403   .051   .051   .057   .015   .005  -.002
H1     .102   .594   .201
H2     .808   .505   .534
H3     .891   .362   .673
H4     .469   .419   .722
H5     .243  .4159   .221
H6     .243   .117   .298
H7    .2463  .8884  .3141
H8    .2661  .7726  .2695
H9     .889   .359   .196
H10    .919   .382   .302
H11    .865   .486   .238
H12    .110   .857   .197
H13    .193   .845   .128
H14    .175  -.027   .174
H15   .5938  .3571  .4501
H16   .5075  .3662  .5049
H17    .437   .321   .358
H18    .416   .211   .423
H19    .509   .203   .363
H20    .547   .181   .569
H21    .647   .269   .587
H22    .639   .169   .509