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