American Mineralogist Crystal Structure Database

1 matching records for this search.

Ca2Co.9Zn.1Si2O7
 
Jia Z H, Schaper A K, Massa W, Treutmann W, Rager H
Acta Crystallographica B62 (2006) 547-555
Structure and phase transitions in Ca2CoSi2O7-Ca2ZnSi2O7 solid-solution
crystals
_database_code_amcsd 0009940
23.5180 23.5180 5.0263 90 90 90 P-4
atom       x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1   .11459 .39725  .5275     .0299  .0338  .0397  .0162  .0192  .0045  .0007
Ca2   .11046 .05725  .4985     .0214  .0240  .0218  .0183  .0068 -.0011 -.0035
Ca3   .45227 .06563  .4916     .0281  .0233  .0313  .0298  .0099  .0084  .0163
Ca4   .78025 .06078  .5128     .0361  .0356   .046  .0267  .0194  .0082  .0170
Ca5   .43341 .38085  .5181     .0104  .0086  .0029  .0198 -.0051  .0049 -.0011
Ca6  -.22187 .38985  .5064     .0185  .0091  .0189  .0277 -.0006  .0058  .0053
Ca7   .11870 .73067  .5179     .0256  .0216  .0378  .0174  .0080 -.0066 -.0090
Ca8  -.56018 .71942  .4942     .0125  .0093  .0095  .0187 -.0066 -.0016 -.0008
Ca9  -.22220 .72146  .5002     .0202  .0231  .0147  .0226  .0073  .0047 -.0026
Co1        0      0      0 .90 .0293  .0416  .0416  .0047      0      0      0
Zn1        0      0      0 .10 .0293  .0416  .0416  .0047      0      0      0
Co2   .33662 .00264 -.0009 .90 .0194  .0258  .0085  .0237  .0021 -.0010 -.0015
Zn2   .33662 .00264 -.0009 .10 .0194  .0258  .0085  .0237  .0021 -.0010 -.0015
Co3   .32869 .33019  .0039 .90 .0148  .0131  .0123  .0190 -.0011 -.0028  .0005
Zn3   .32869 .33019  .0039 .10 .0148  .0131  .0123  .0190 -.0011 -.0028  .0005
Co4   .16388 .16851 -.0122 .90 .0153  .0164  .0136  .0160 -.0008 -.0021  .0017
Zn4   .16388 .16851 -.0122 .10 .0153  .0164  .0136  .0160 -.0008 -.0021  .0017
Co5   .49935 .17160 -.0029 .90 .0180  .0180  .0053  .0306  .0026  .0080  .0022
Zn5   .49935 .17160 -.0029 .10 .0180  .0180  .0053  .0306  .0026  .0080  .0022
Co6       .5     .5      0 .90 .0167  .0150  .0150  .0202      0      0      0
Zn6       .5     .5      0 .10 .0167  .0150  .0150  .0202      0      0      0
Si1   .04924 .45692  .9520     .0125  .0121  .0123  .0130 -.0007 -.0018 -.0053
Si2   .04350 .12221  .9346     .0198  .0140  .0242   .021  .0042 -.0059 -.0047
Si3  -.05094 .21362  .9588     .0197  .0201  .0195   .019  .0029  .0056  .0039
Si4    .3824  .1221  .9321     .0247  .0224   .022   .030  .0065  .0051 -.0019
Si5  -.28617 .78817  .9263     .0126  .0112  .0052  .0214 -.0040  .0012  .0020
Si6   .71235 .11521  .9380     .0166  .0168  .0157  .0173  .0010  .0025  .0051
Si7   .62263  .2108  .9235     .0183  .0167  .0227  .0154  .0012  .0002 -.0016
Si8   .37917 .44871  .9548     .0148  .0107  .0120   .022  .0015 -.0006  .0001
Si9   .29357 .54833  .9333     .0152  .0092  .0148  .0215 -.0021  .0002  .0028
O1         0     .5   .840      .039
O2     .0538  .4600   .281      .026
O3     .0404  .3934   .831      .048
O4     .1060  .4775  .7987     .0183
O5     .0028  .1751   .830      .061
O7     .6639  .1586  .8177     .0206
O8     .3466  .5063  .8342     .0057
O6     .3289  .1600   .808     .0172
O24    .5605  .1977  .7641     .0176
O18   -.2858  .7871   .245     .0191
O26    .6217  .2116   .230      .035
O21    .7124  .1220   .263      .043
O31    .2919  .5528  .2479     .0118
O27    .3718  .4441  .2632     .0106
O32    .3049  .6065  .7837     .0142
O20   -.3072  .7323   .783     .0175
O15    .4394  .1495  .7704     .0183
O30    .2381  .5199  .7829     .0094
O25    .6484  .2639   .776     .0196
O13   -.0516  .2120   .266      .029
O19   -.2263  .8076  .7643     .0166
O11    .0457  .1216   .253     .0178
O17    .3885  .1275  .2468     .0225
O12   -.1035  .1849   .783     .0194
O29    .3476  .3964  .7892     .0138
O10    .1017  .1401   .764     .0208
O28    .4425  .4521  .8280     .0089
O16    .3782  .0609  .8098     .0238
O22    .7675  .1446   .787      .036
O9     .0197  .0692   .784      .039
O23    .7099  .0546   .831      .034
O14   -.0434  .2765   .813      .033
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