Ca3SiO5
Golovastikov N, Matveeva R, Belov N
Kristallografiya 20 (1975) 721-729
Crystal structure of tricalcium silicate, 3CaO.SiO2 = C3S
_database_code_amcsd 0017826
11.67 14.24 13.72 105.5 94.33 90. P-1
atom     x     y     z Biso
Ca1  .7102 .0039  .975  .40
Ca2  .3541 .1525 .6527  .45
Ca3  .6751 .3207 .3351  .51
Ca4  .8454 .1667 .1697  .40
Ca5  .1908 .3284 .8152  .40
Ca6  .3328 .4107 .6483  .45
Ca7  .6476 .0817 .3340  .25
Ca8  .0536 .1663 .6176  .33
Ca9  .6438 .1808 .7226  .43
Ca10 .3830 .3474 .3033  .33
Ca11 .9650 .3339 .3678  .32
Ca12 .0498 .3977 .6244  .33
Ca13 .3604 .0547 .2888  .30
Ca14 .6220 .4145 .7117  .51
Ca15 .9682 .1048 .3762  .37
Ca16 .4651 .0913 .8506  .37
Ca17 .2141 .2419 .4658  .32
Ca18 .8040 .2472 .5175  .33
Ca19 .5363 .4148 .1508  .27
Ca20 .7012 .4880 .9589  .28
Ca21 .7241 .2378 .9700  .31
Ca22 .3039 .2766 .0251  .54
Ca23 .8729 .0824 .8173  .30
Ca24 .1371 .4262 .1848  .34
Ca25 .0205 .2604 .9897  .50
Ca26     0     0     0  .41
Ca27     0    .5     0  .30
Ca28    .5     0    .5  .13
Ca29    .5    .5    .5  .12
Si1  .8322 .4165 .1646  .20
Si2  .4748 .3440 .8710  .21
Si3  .1616 .0800 .8192  .04
Si4  .8002 .0183 .5467  .23
Si5  .1922 .4972 .4486  .25
Si6  .5221 .1553 .1222  .15
Si7  .1492 .1806 .2057  .17
Si8  .8709 .3207 .7842  .17
Si9  .4977 .2486 .5043  .23
O1   .0339 .1943 .2619  .41
O2   .5127 .2655 .1925  .67
O3   .6528 .1486 .0807  .62
O4   .1584 .0685 .1427  .59
O5   .2204 .2685 .6427  .34
O6   .5037 .0541 .6743  .31
O7   .4211 .1297 .0254  .60
O8   .2625 .2060 .2903  .54
O9   .6673 .0923 .8532  .57
O10  .0105 .2584 .4944  .38
O11  .5133 .0806 .1910  .45
O12  .1592 .2553 .1291  .55
O13  .8279 .3950 .4729  .48
O14  .3124 .4978 .4018  .37
O15  .1825 .4137 .5105  .59
O16  .3379 .4353 .1771  .50
O17  .1610 .3931 .9860  .28
O18  .0880 .4729 .3560  .53
O19  .2777 .0582 .7617  .52
O20  .9492 .4026 .1070  .59
O21  .1610 .1919 .8857  .39
O22  .1468 .0064 .8928  .42
O23  .8031 .1819 .3337  .33
O24  .8955 .1402 .9995  .37
O25  .5583 .4518 .3380  .46
O26  .0487 .0587 .7321  .40
O27  .6123 .2397 .4460  .36
O28  .7683 .0509 .6645  .48
O29  .4446 .3903 .9879  .39
O30  .6109 .3254 .8630  .57
O31  .9981 .3075 .7361  .49
O32  .6869 .0169 .4682  .83
O33  .8604 .2449 .8521  .52
O34  .7189 .3952 .0860  .36
O35  .7741 .3028 .6875  .56
O36  .8915 .0963 .5267  .52
O37  .8639 .4292 .8575  .35
O38  .4144 .1476 .4653  .59
O39  .1459 .0887 .4737  .65
O40  .8270 .3351 .2302  .43
O41  .3964 .2440 .8327  .56
O42  .5193 .2654 .6264  .46
O43  .4178 .3379 .4840  .42
O44  .1820 .4733 .7596  .36
O45  .4400 .4192 .8047  .41