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