Ca4Al2(OH)12CO3*5H2O
Francois M, Renaudin G, Evrard O
Acta Crystallographica C54 (1998) 1214-1217
A cementitious compound with composition 3CaO*Al2O3*CaCO3*11H2O
_cod_database_code 1000459
_database_code_amcsd 0010316
5.7747 8.4689 9.923 64.77 82.75 81.43 P1
atom      x      y       z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1  .51859 .12026  .80513  .0079  .0099  .0069  .0001 -.0027 -.0012
Ca2  .47978 .88820  .19288  .0077  .0095  .0071 -.0011 -.0018 -.0009
Ca3  .01418 .62138  .30979  .0078  .0098  .0070 -.0002 -.0029 -.0011
Ca4  .97700 .38122  .69525  .0081  .0096  .0069 -.0011 -.0021 -.0007
Al1       0 .00021 -.00018  .0061  .0077  .0050 -.0002 -.0021 -.0012
Al2   .4929 .50613  .50349  .0066  .0074  .0051 -.0002 -.0018 -.0010
O1    .1537  .2112   .9215   .012  .0098  .0097 -.0024 -.0019 -.0042
O2    .8474  .7896   .0808  .0112  .0099  .0078 -.0019 -.0026 -.0035
O3    .3064  .8910   .9790  .0089  .0102  .0115  .0016 -.0032 -.0047
O4    .6953  .1150   .0185  .0089  .0093  .0115  .0003 -.0021 -.0042
O5    .3452  .2925   .5784  .0109  .0102  .0076 -.0015 -.0033 -.0035
O6    .6416  .7186   .4259  .0129  .0111  .0091 -.0023 -.0022 -.0036
O7    .7985  .3945   .4857  .0094  .0101  .0080  .0012 -.0028 -.0040
O8    .1862  .6129   .5262  .0088   .009  .0099  .0000 -.0014 -.0027
O9    .0678  .9336   .2025  .0101  .0108  .0069 -.0005 -.0027 -.0034
O10   .9301  .0676   .7998  .0106  .0136  .0052  .0019 -.0026 -.0040
O11   .4271  .5743   .3012  .0107   .012  .0052  .0018 -.0024 -.0035
O12   .5640  .4347   .7062  .0106  .0125  .0067 -.0007 -.0023 -.0035
O13   .5887  .9018   .6866  .0261  .0288  .0318  .0032 -.0090 -.0159
O14   .4084  .1055   .3088  .0207  .0196  .0243  -.004 -.0017 -.0110
O15   .9112  .6001   .8143  .0253  .0226  .0225 -.0053  .0006 -.0096
O16   .3436  .5562   .9531  .0242  .0306  .0243  .0005 -.0047 -.0132
O17   .1221  .9433   .5596  .0405  .0269  .0250 -.0003 -.0042 -.0127
O18   .7565  .4126   .0904  .0261  .0298  .0232 -.0010 -.0092 -.0085
O19   .0767  .3952   .2037  .0138  .0203  .0233 -.0028 -.0042 -.0094
O20   .8248  .1929   .3118  .0206  .0226  .0236 -.0042 -.0023 -.0122
C1    .8852  .3334   .2016  .0127  .0171  .0175  .0020 -.0020 -.0126
H1     .181   .241    .992
H2     .842   .719    .032
H3     .309   .807    .942
H4     .690   .218    .022
H5     .347   .225    .526
H6     .664   .746    .503
H7     .798   .314    .445
H8     .173   .724    .519
H9     .004   .968    .277
H10    .025   .005    .755
H11    .502   .499    .268
H12    .504   .468    .782
H13    .676   .798    .736
H14    .430   .853    .695
H15    .308   .205    .268
H16    .543   .143    .313
H17    .049   .627    .817
H18    .872   .534    .914
H19    .490   .490    .996
H20    .233   .496    .032
H21   -.022   .983    .519
H22    .241   .988    .488