Cl H30 N7 O19 P6
Averbuch-Pouchot M, Durif A
European Journal of Solid State and Inorganic Chemistry 30 (1993) 447-459
(NH4)6P6O18.NH4X.H2O (X=Cl,Br,I). The first examples of
cyclohexaphosphate-halides
_cod_database_code 1007201
_database_code_amcsd 0012573
6.738 10.101 19.33 101.48 90.84 107.31 P-1
atom      x      y      z
N1    .0644  .2946  .3605
N2    .4354  .7135  .1413
N3    .0021  .8537  .2722
N4    .5178  .2046  .2258
N5    .7165  .5495  .4099
N6    .8159  .4533  .0797
N7       .5      0      0
N8        0      0     .5
P1   .27970 .70853 .45687
P2   .51262 .85868 .59077
P3    .5089 .85813 .35311
P4   .03196 .90136 .85140
P5    .7612 .71340 .93432
P6   .99034 .82591 .07175
O1    .5164  .1947 .49296
O2    .3101  .7858  .3916
O3    .3023  .5661  .4363
O4    .0888  .7269  .4892
O5    .5872  .0146  .4008
O6    .6212  .2508 .37474
O7    .2600  .0890  .3897
O8    .4308  .8628  .2820
O9    .6784  .7959  .3620
O10   .0776 -.0085  .1028
O11   .0629  .1323  .2218
O12   .7391  .0448  .1354
O13   .2375  .4291  .0579
O14   .4306  .2620  .0913
O15   .8337  .8238  .0083
O16   .8666  .7534  .1240
O17   .1687  .7792  .0443
O18   .0515  .2321  .1129
O19   .3903  .4846  .2486
Cl1   .9213  .5045 .25512
H1     .148   .391   .380
H2     .107   .246   .379
H3     .056   .259   .311
H4     .948   .284   .379
H5     .367   .748   .110
H6     .421   .749   .183
H7     .372   .610   .128
H8     .575   .746   .129
H9     .947   .816   .233
H10    .900   .825   .306
H11    .101   .825   .274
H12    .003   .958   .269
H13    .571   .210   .272
H14    .629   .291   .232
H15    .374   .175   .219
H16    .571   .147   .201
H17    .686   .457   .402
H18    .778   .542   .361
H19    .588   .571   .417
H20    .827   .602   .436
H21    .725   .390   .074
H22    .941   .429   .055
H23    .836   .562   .089
H24    .841   .463   .125
H25    .471   .566   .271
H26    .267   .498   .252