Wohlerite
Mellini M, Merlino S
Tschermaks Mineralogische und Petrographische Mitteilungen 26 (1979) 109-123
Refinement of the crystal structure of wohlerite
Locality: Brevig, Norway
_database_code_amcsd 0015674
10.823 10.244 7.290 90 109.00 90 P2_1
atom      x      y      z Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Na1  .12210 .06891 .68654 1.25 .00323 .00187 .00911  .00121  .00232  .00137
Na2  .36673 .91655 .55120 1.06 .00251 .00303 .00496  .00038  .00160  .00040
Ca1  .34605 .30037 .55184  .78 .00187 .00184 .00406 -.00059  .00087 -.00048
Zr   .34201 .28972 .05379  .42 .00098 .00122 .00185  .00016  .00046  .00000
Nb   .13104 .05243 .19173  .74 .00231 .00138 .00426 -.00023  .00165 -.00003
Ca2  .14570  .6815 .19979  .56 .00128 .00169 .00259 -.00046  .00089 -.00026
Ca3  .36750 .91284 .05383  .73 .00155 .00213 .00316 -.00009  .00052 -.00034
Ca4  .15345  .6836 .69983  .62 .00153 .00153 .00304 -.00031  .00076 -.00015
Si1  .07971 .37343 .19749  .42 .00103 .00099 .00206  .00015  .00034  .00017
Si2  .07238 .36493 .63666  .44 .00121 .00097 .00223  .00006  .00059  .00012
Si3  .43941 .61333 .56312  .49 .00124 .00125 .00242 -.00005  .00074  .00001
Si4  .43303  .6126 .12460  .44 .00120 .00101 .00200 -.00009  .00044 -.00009
O1    .0095  .2364  .1200  .82 .00216 .00159 .00408   .0000  .00047  .00000
O2   -.0197  .2413  .6175  .82 .00177 .00178 .00518 -.00029  .00108 -.00008
O3    .0056  .5017  .0851  .95 .00272 .00162 .00440  .00067  .00030  .00088
O4    .0185  .4994  .6984  .93 .00218 .00149 .00741  .00002  .00230 -.00113
O5    .2322  .3754  .2078  .95 .00184 .00280 .00586  .00010  .00206 -.00033
O6    .2209  .3363  .7744  .99 .00161 .00335 .00456  .00030  .00030  .00084
O7    .4892  .4720  .6505 1.02 .00198 .00185 .00492 -.00019 -.00050  .00061
O8    .4573  .4644  .0718  .91 .00225 .00146 .00722 -.00007  .00244 -.00042
O9    .4746  .2359  .3195  .87 .00190 .00197 .00387  .00018 -.00033  .00080
O10   .4630  .2165  .9120 1.12 .00285 .00259 .00652  .00072  .00234 -.00070
O11   .2865  .6398  .5154 1.24 .00187 .00438 .00592  .00061  .00127 -.00042
O12   .2888  .6700  .0234 1.01 .00155 .00297 .00556  .00075  .00057  .00070
O13   .2449  .1173  .0435  .92 .00250 .00139 .00616 -.00025  .00156 -.00007
O14   .2236  .1183  .4363  .77 .00160 .00164 .00459 -.00063  .00048 -.00091
F15   .2393  .8891  .7435  .91 .00223 .00216 .00400  .00019  .00046  .00030
O16   .2136  .8927  .2241  .77 .00248 .00108 .00503 -.00024  .00192  .00000
O17   .0867  .3950  .4228 1.39 .00505 .00375 .00342 -.00061  .00239 -.00013
O18   .5230  .1240  .6400 1.10 .00284 .00362 .00323  .00024  .00117  .00007