Analcime
Pechar F
Zeitschrift fur Kristallographie 184 (1988) 63-69
The crystal structure of natural monoclinic analcime (NaAlSi2O6*H2O)
Locality: Husa u Marcinova, Bohemia, Czech Republic
Note: z(H1) adjusted to match reported bond angle
_database_code_amcsd 0010978
13.689 13.676 13.665 90 90.38 90 I2/a
atom      x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1   .1318 .9997 .2561 .45  .0100  .0102  .0121 -.0008 -.0013 -.0017
Na2     .25 .1203     0 .90  .0110  .0085  .0129  .0029  .0000 -.0045
Na3     .75 .3763     0  .9  .0174  .0086  .0080 -.0008  .0024  .0020
Na4   .0115 .2474 .1160 .45  .0125  .0110  .0138  .0028  .0012  .0048
Al1   .1753 .4112 .1370  .9  .0058  .0056  .0072  .0001  .0005 -.0004
Al2  -.1526 .0856 .1176  .9  .0062  .0053  .0076 -.0005  .0008 -.0003
Si1   .1122 .1580 .4175      .0064  .0068  .0061  .0002 -.0001 -.0000
Si2   .4221 .1310 .1599      .0049  .0064  .0075 -.0002 -.0003 -.0010
Si3  -.1286 .3381 .4056      .0049  .0064  .0065 -.0018  .0009  .0001
Si4  -.4029 .3728 .1682      .0065  .0069  .0062  .0001 -.0001  .0000
O1    .1099 .3434 .2274      .0172  .0084  .0079 -.0006  .0022  .0018
O2   -.0905 .1464 .2150      .0197  .0081  .0112 -.0005 -.0027 -.0028
O3    .1166 .3624 .0340      .0054  .0070  .0131 -.0013 -.0011 -.0011
O4   -.0983 .1499 .0209      .0070  .0076  .0140 -.0022  .0002  .0006
O5    .2029 .1165 .3575      .0110  .0085  .0129  .0029  .0000 -.0045
O6   -.2237 .3999 .3796      .0125  .0110  .0139  .0029  .0018  .0050
O7    .1645 .5357 .1452      .0082  .0097  .0154  .0017 -.0042 -.0005
O8   -.1282 .9626 .1137      .0093  .0126  .0135  .0030  .0044  .0007
O9    .3976 .2243 .0891      .0095  .0167  .0121 -.0019  .0036  .0016
O10  -.3556 .2780 .1144      .0079  .0171  .0087  .0000 -.0006 -.0026
O11   .0132 .1104 .3720      .0094  .0128  .0136  .0032  .0042  .0008
O12  -.0405 .3782 .3361      .0071  .0078  .0142 -.0024  .0004  .0008
Ow13  .1344 .1264 .1348      .0280  .0421  .0207 -.0068  .0108 -.0101
Ow14  .8858 .3703 .1169      .0159  .0137  .0434  .0005 -.0044  .0049
H1    .0899 .0949 .0896      .0400  .0534  .0345 -.0014  .0180  .0042
H2    .1790 .1610 .0920      .0463  .0681  .0445 -.0141  .0053 -.0172
H3    .8413 .3388 .0719      .0262  .0579  .0681  .0012  .0031  .0042
H4    .9353 .4018 .0789      .0472  .0205  .0475  .0020 -.0087 -.0001