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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
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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 |
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_database_code_amcsd 0009941 |
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23.5180 23.5180 5.0263 90 90 90 P2_12_12 |
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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 .10820 .05357 .5006 .0132 .0139 .0120 .0136 .0006 .0007 -.0018 |
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Ca2 .11500 .39195 .4888 .0150 .0121 .0148 .0180 .0007 .0014 -.0006 |
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Ca3 .05507 .22526 .4983 .0139 .0141 .0130 .0146 -.0021 .0006 .0021 |
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Ca4 .27532 .11121 .5111 .0137 .0138 .0115 .0158 -.0012 .0002 -.0002 |
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Ca5 .26916 .45062 .4757 .0150 .0172 .0105 .0171 -.0028 .0003 -.0014 |
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Ca6 .21553 .26589 .5205 .0159 .0145 .0180 .0151 .0029 -.0001 .0014 |
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Ca7 .44149 .05279 .5221 .0163 .0178 .0133 .0177 .0028 -.0009 .0001 |
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Ca8 .45043 .39740 .5132 .0153 .0150 .0170 .0138 .0035 .0030 -.0023 |
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Ca9 .40127 .21271 .4951 .0152 .0168 .0105 .0183 -.0025 .0003 .0007 |
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Co1 0 0 -.0059 .90 .0115 .0128 .0089 .0128 -.0011 0 0 |
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Zn1 0 0 -.0059 .10 .0115 .0128 .0089 .0128 -.0011 0 0 |
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Co2 .00651 .33616 .0069 .90 .0114 .0114 .0092 .0136 .0007 -.0010 .0009 |
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Zn2 .00651 .33616 .0069 .10 .0114 .0114 .0092 .0136 .0007 -.0010 .0009 |
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Co3 .16332 .16158 .0100 .90 .0117 .0111 .0098 .0142 -.0005 .0005 -.0013 |
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Zn3 .16332 .16158 .0100 .10 .0117 .0111 .0098 .0142 -.0005 .0005 -.0013 |
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Co4 .33358 .00207 .0105 .90 .0127 .0114 .0092 .0173 .0007 .0002 -.0001 |
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Zn4 .33358 .00207 .0105 .10 .0127 .0114 .0092 .0173 .0007 .0002 -.0001 |
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Co5 .33476 .33043 .0049 .90 .01260 .0107 .0093 .0178 .0006 -.0008 .0014 |
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Zn5 .33476 .33043 .0049 .10 .01260 .0107 .0093 .0178 .0006 -.0008 .0014 |
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Si1 .04227 .12069 -.0725 .0120 .0107 .0097 .0157 -.0012 -.0002 -.0015 |
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Si2 .04896 .45591 -.0822 .0124 .0123 .0113 .0135 .0003 -.0003 .0003 |
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Si3 .12568 .28568 .0680 .0114 .0087 .0122 .0133 -.0017 .0004 -.0005 |
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Si4 .21245 .04163 .0737 .0115 .0102 .0128 .0114 -.0007 .0024 .0005 |
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Si5 .21494 .38200 .0454 .0113 .0080 .0104 .0154 -.0012 -.0015 -.0006 |
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Si6 .28315 .20981 -.0427 .0116 .0093 .0140 .0116 -.0007 -.0004 .0028 |
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Si7 .38118 .12307 -.0531 .0120 .0101 .0113 .0147 .0012 -.0004 .0014 |
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Si8 .38259 .45151 -.0519 .0110 .0087 .0128 .0116 .0007 -.0010 -.0006 |
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Si9 .45545 .28014 .0585 .0132 .0101 .0102 .0194 -.0019 -.0009 .0006 |
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O1 -.0077 .1650 .8211 .0162 |
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O2 .1740 -.0145 .1769 .0157 |
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O3 .1788 .3266 .1690 .0160 |
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O4 .3388 .1753 .8348 .0181 |
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O5 .5 0 .201 .015 |
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O6 .0430 .1191 .241 .021 |
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O7 .0505 .4577 .2360 .0154 |
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O8 .1235 .2826 .753 .021 |
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O9 .2160 .0430 .7517 .0137 |
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O10 .2094 .3838 .7248 .0140 |
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O11 .2775 .2035 .2734 .0158 |
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O12 .3854 .1223 .2634 .0148 |
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O13 .3868 .4587 .2623 .0155 |
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O14 .4611 .2756 .7465 .0219 |
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O15 .0246 .0627 .7697 .0168 |
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O16 .0988 .1430 .7793 .0175 |
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O17 .0334 .3964 .7707 .0157 |
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O18 .1047 .4789 .7639 .0153 |
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O19 .1384 .2262 .2229 .0170 |
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O20 .0708 .3119 .2203 .0130 |
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O21 .1831 .0954 .2315 .0167 |
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O22 .2720 .0292 .2311 .0142 |
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O23 .1861 .4359 .2058 .0129 |
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O24 .2783 .3778 .1714 .0185 |
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O25 .2874 .2725 .8290 .0155 |
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O26 .2311 .1803 .7981 .0162 |
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O27 .3558 .0673 .7931 .0124 |
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O28 .4404 .1369 .7894 .0137 |
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O29 .3800 .3885 .8242 .0160 |
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O30 .4345 .4818 .7833 .0162 |
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O31 .4837 .2268 .2258 .0124 |
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O32 .3922 .2848 .1753 .0185 |
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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
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