Nitrocalcite
Leclaire A, Monier J C
Acta Crystallographica B33 (1977) 1861-1866
Liaisons hydrogene dans les cristaux de Ca(NO3)2*4H2Oalpha
Locality: synthetic
_database_code_amcsd 0009594
6.2786 9.1551 14.8999 90 106.22 90 P2_1/c
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    .32775 .41024 .36704          .01149 .00516 .00190 -.00027 .00139 -.00029
N1    .07165 .37196 .16956          .01428 .00680 .00242 -.00158 .00175 -.00057
O11   .05757 .48374 .21718          .02769 .00679 .00267  .00346 .00074 -.00073
O12   .18733 .26869 .21202          .02296 .00587 .00389  .00125 .00200 -.00024
O13  -.02525 .36516 .08576          .02321 .01469 .00220 -.00092 .00054 -.00148
N2    .48048 .73285 .40676          .01436 .00534 .00223 -.00070 .00197  .00031
O21   .54009 .62111 .45857          .02457 .00503 .00236 -.00094 .00084  .00061
O22   .54900 .85477 .43477          .02875 .00510 .00386 -.00325 .00196  .00003
O23   .35068 .71221 .32758          .01701 .00897 .00226  .00007 .00088  .00016
Ow1   .59973 .46279 .28249          .02180 .00768 .00393 -.00284 .00500 -.00141
Ow2   .03795 .53620 .41525          .02289 .00698 .00359  .00322 .00476  .00131
Ow3   .08003 .22224 .39698          .02946 .00722 .00310 -.00411 .00227 -.00032
Ow4   .57447 .19691 .38527          .03691 .01251 .00548  .01060 .00856  .00337
H11    .6203  .3934  .2512     3.19
H12    .5884  .5413  .2489     5.44
H21    .0252  .6130  .4109     3.62
H22    .0745  .5148  .4697  .5 3.81
H23   -.1226  .5006  .3575  .5 5.02
H31    .0765  .1437  .3661     3.95
H32    .1411  .1855  .4506     3.42
H41    .5789  .1456  .4220     4.28
H42    .7103  .2093  .3861     6.37