Tilleyite
Grice J D
The Canadian Mineralogist 43 (2005) 1489-1500
The structure of spurrite, tilleyite and scawtite,
and relationships to other silicate-carbonate minerals
Locality: Cornet Hill, Apuseni Mountains, Romania
_database_code_amcsd 0006060
15.082 10.236 7.572 90 105.17 90 P2_1/a
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1 .00343 .99395 .75024 .00896 .0096 .0096 .0084 -.0021 .0037 -.0012
Ca2 .17682 .21349 .09115 .00912 .0099 .0100 .0077 .0018 .0027 .0008
Ca3 .18116 .20649 .60855 .00882 .0100 .0080 .0087 .0010 .0029 -.0002
Ca4 .12417 .58934 .04534 .00810 .0090 .0082 .0076 .0003 .0031 -.0005
Ca5 .13621 .57880 .55926 .00905 .0108 .0076 .0092 -.0013 .0035 -.0004
Si1 .20174 .92086 .13855 .00603 .0077 .0053 .0058 .0003 .0031 .0000
Si2 .20390 .91414 .56867 .00603 .0077 .0054 .0057 .0003 .0031 .0001
C1 .0301 .3088 .3388 .0093 .0105 .0091 .0098 .0001 .0055 .0023
C2 .0220 .3027 .8176 .0094 .0119 .0079 .0103 .0004 .0064 .00134
O1 .07397 .2081 .29945 .0117 .0139 .0083 .0144 .0013 .0066 -.00059
O2 .07153 .2047 .7882 .0104 .0119 .0082 .0121 .0015 .0049 -.0007
O3 .06991 .3767 .4799 .0150 .0210 .0092 .0146 -.0021 .0044 -.0025
O4 .05589 .3760 -.0424 .0143 .0194 .0099 .0137 -.0002 .0046 -.0033
O5 .05021 .6655 .7530 .0191 .0115 .0340 .0117 .0076 .0030 .0049
O6 .05884 .6805 .2792 .0159 .0106 .0249 .0122 .0056 .0030 .0012
O7 .22519 .7744 .0876 .0100 .0122 .0069 .0121 -.0002 .0054 -.0019
O8 .22688 .7642 .6289 .0108 .0118 .0073 .0126 -.0004 .0019 .0023
O9 .09944 .9761 .0560 .0123 .0115 .0149 .0106 .0036 .0032 .0005
O10 .10274 .9720 .5534 .0115 .0106 .0132 .0118 .0028 .0045 -.0000
O11 .22507 .5306 .8846 .0109 .0127 .0078 .0145 .0019 .0076 -.0009
O12 .22205 .5210 .3213 .0112 .0114 .0096 .0123 .0017 .0024 .0030
O13 .22538 .9174 .3651 .0132 .0157 .0185 .0063 .0008 .0045 .0000
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Tilleyite
Smith J V
Acta Crystallographica 6 (1953) 9-18
The crystal structure of tilleyite
_database_code_amcsd 0009150
15.025 10.269 7.628 90 105.83 90 P2_1/a
atom x y z Biso
Ca1 .0056 0 .7542 2.4
Ca2 .1810 .2112 .0978 2.4
Ca3 .1806 .2112 .6148 2.4
Ca4 .1280 .5867 .0520 2.4
Ca5 .1325 .5867 .5561 2.4
Si1 .2071 .9153 .1502 2.4
Si2 .2052 .9153 .5792 2.4
C1 .0297 .2992 .3470 2.4
C2 .0205 .2992 .8220 2.4
O1 .0770 .2093 .2860 2.4
O2 .0681 .2093 .7580 2.4
O3 .0713 .3625 .4790 2.4
O4 .0580 .3625 .9580 2.4
O5 .0622 .6742 .7724 2.4
O6 .0671 .6742 .3094 2.4
O7 .2295 .7732 .0700 2.4
O8 .2255 .7732 .6188 2.4
O9 .1050 .9708 .0575 2.4
O10 .1000 .9708 .5390 2.4
O11 .2176 .5263 .8800 2.4
O12 .2282 .5263 .3444 2.4
O13 .2206 .9153 .3679 2.4
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