American Mineralogist Crystal Structure Database

1 matching records for this search.

Gottardiite
 
Alberti A, Vezzalini G, Galli E, Quartieri S
 
European Journal of Mineralogy 8 (1996) 69-75
The crystal structure of gottardiite, a new natural zeolite
Note: occupancies altered to match chemical formula
_database_code_amcsd 0006612
13.698 25.213 22.660 90 90 90 Cmca
atom      x     y     z   occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
SiT1      0 .0804 .1973  .861 1.18   .013   .013   .019      0      0  -.002
AlT1      0 .0804 .1973  .138 1.18   .013   .013   .019      0      0  -.002
FeT1      0 .0804 .1973  .001 1.18   .013   .013   .019      0      0  -.002
SiT2      0 .1784 .2828  .861 1.47   .014   .021   .021      0      0  -.004
AlT2      0 .1784 .2828  .138 1.47   .014   .021   .021      0      0  -.004
FeT2      0 .1784 .2828  .001 1.47   .014   .021   .021      0      0  -.004
SiT3      0 .2884 .2204  .861 1.39   .021   .015   .017      0      0  -.003
AlT3      0 .2884 .2204  .138 1.39   .021   .015   .017      0      0  -.003
FeT3      0 .2884 .2204  .001 1.39   .021   .015   .017      0      0  -.003
SiT4      0 .3841 .3023  .861 1.34   .012   .022   .017      0      0  -.007
AlT4      0 .3841 .3023  .138 1.34   .012   .022   .017      0      0  -.007
FeT4      0 .3841 .3023  .001 1.34   .012   .022   .017      0      0  -.007
SiT5      0 .4818 .2235  .861 1.68   .030   .019   .015      0      0   .004
AlT5      0 .4818 .2235  .138 1.68   .030   .019   .015      0      0   .004
FeT5      0 .4818 .2235  .001 1.68   .030   .019   .015      0      0   .004
SiT6  .2102 .0023 .3160  .861 1.95   .020   .030   .024   .004  -.005   .001
AlT6  .2102 .0023 .3160  .138 1.95   .020   .030   .024   .004  -.005   .001
FeT6  .2102 .0023 .3160  .001 1.95   .020   .030   .024   .004  -.005   .001
SiT7  .1934 .0978 .1253  .861 1.34   .014   .019   .018  -.005   .006  -.003
AlT7  .1934 .0978 .1253  .138 1.34   .014   .019   .018  -.005   .006  -.003
FeT7  .1934 .0978 .1253  .001 1.34   .014   .019   .018  -.005   .006  -.003
SiT8  .2122 .1948 .3174  .861 1.11   .011   .014   .017   .001  -.004   .001
AlT8  .2122 .1948 .3174  .138 1.11   .011   .014   .017   .001  -.004   .001
FeT8  .2122 .1948 .3174  .001 1.11   .011   .014   .017   .001  -.004   .001
SiT9  .2143 .3111 .1846  .861 1.32   .018   .012   .020  -.005   .001   .001
AlT9  .2143 .3111 .1846  .138 1.32   .018   .012   .020  -.005   .001   .001
FeT9  .2143 .3111 .1846  .001 1.32   .018   .012   .020  -.005   .001   .001
SiT10 .1873 .4049 .3752  .861 1.18   .015   .015   .015   .002   .004  -.004
AlT10 .1873 .4049 .3752  .138 1.18   .015   .015   .015   .002   .004  -.004
FeT10 .1873 .4049 .3752  .001 1.18   .015   .015   .015   .002   .004  -.004
SiT11 .1151 .0634 .0009  .861 1.53   .025   .019   .014  -.007   .005  -.004
AlT11 .1151 .0634 .0009  .138 1.53   .025   .019   .014  -.007   .005  -.004
FeT11 .1151 .0634 .0009  .001 1.53   .025   .019   .014  -.007   .005  -.004
O1        0 .0208 .2214       3.92   .088   .015   .046      0      0  -.004
O2    .0969 .0897 .1594        .84   .025   .084   .113   .002   .049   .009
O3        0 .1213 .2499        .76   .075   .041   .027      0      0  -.015
O4    .0955 .1833 .3238        .63   .020   .059   .021  -.001   .001  -.012
O5        0 .2249 .2361       3.11   .046   .012   .060      0      0  -.014
O6    .0928 .3040 .1810       2.87   .017   .054   .038  -.008   .007   .010
O7        0 .3225 .2802       2.53   .055   .017   .024      0      0  -.003
O8    .0840 .3950 .3443       6.37   .050   .110   .082  -.001  -.044  -.041
O9        0 .4225 .2462       6.55   .205   .008   .036      0      0  -.016
O10   .0928 .4920 .1818       3.74   .033   .076   .033   .003   .010  -.006
O11   .2280 .1576 .1350       2.66   .027   .038   .036  -.002  -.007  -.006
O12   .2242 .0598 .3504       3.61   .042   .027   .068  -.003  -.009   .005
O13   .2381 .4586 .3559       5.90   .094   .032   .098  -.012   .073   .014
O14   .1754 .0893 .0555       3.00   .026   .079   .009  -.010  -.001  -.014
O15   .2329 .2564 .3357       3.16   .055   .028   .037  -.015   .003  -.004
O16     .25 .1829   .25       2.03   .037   .031   .009      0   .004      0
O17   .2381 .3553 .1332       2.79   .049   .036   .021  -.031  -.016   .012
O18     .25 .3290   .25       1.89   .029   .017   .026      0   .003      0
O19     .25 .0050   .25       5.66   .033   .146   .036      0   .003      0
O20       0 .0807 .0048       2.82   .036   .029   .042      0      0  -.003
O21   .1276     0     0       3.26   .033   .021   .070      0      0  -.005
O22   .1627 .4084 .4406       5.34   .102   .058   .043   .050   .025   .004
NaX1      0  .386  .999 .0186  1.7
KX1       0  .386  .999 .0013  1.7
MgX1      0  .386  .999  .023  1.7
CaX1      0  .386  .999 .0356  1.7
WatX1     0  .386  .999 .6824  1.7
NaX2      0  .183  .430 .0186  4.6
KX2       0  .183  .430 .0013  4.6
MgX2      0  .183  .430  .023  4.6
CaX2      0  .183  .430 .0356  4.6
WatX2     0  .183  .430 .6824  4.6
NaX3      0  .263  .996 .0186  3.9
KX3       0  .263  .996 .0013  3.9
MgX3      0  .263  .996  .023  3.9
CaX3      0  .263  .996 .0356  3.9
WatX3     0  .263  .996 .6824  3.9
NaX4      0  .081  .404 .0186  6.5
KX4       0  .081  .404 .0013  6.5
MgX4      0  .081  .404  .023  6.5
CaX4      0  .081  .404 .0356  6.5
WatX4     0  .081  .404 .6824  6.5
NaX5   .067  .281  .421 .0186  9.1
KX5    .067  .281  .421 .0013  9.1
MgX5   .067  .281  .421  .023  9.1
CaX5   .067  .281  .421 .0356  9.1
WatX5  .067  .281  .421 .6824  9.1
NaX6   .121  .458  .019 .0186  3.9
KX6    .121  .458  .019 .0013  3.9
MgX6   .121  .458  .019  .023  3.9
CaX6   .121  .458  .019 .0356  3.9
WatX6  .121  .458  .019 .6824  3.9
NaX7      0  .192  .071 .0186 11.0
KX7       0  .192  .071 .0013 11.0
MgX7      0  .192  .071  .023 11.0
CaX7      0  .192  .071 .0356 11.0
WatX7     0  .192  .071 .6824 11.0
NaX8   .151  .349  .994 .0186  6.6
KX8    .151  .349  .994 .0013  6.6
MgX8   .151  .349  .994  .023  6.6
CaX8   .151  .349  .994 .0356  6.6
WatX8  .151  .349  .994 .6824  6.6
NaX9      0  .390  .103 .0186  8.9
KX9       0  .390  .103 .0013  8.9
MgX9      0  .390  .103  .023  8.9
CaX9      0  .390  .103 .0356  8.9
WatX9     0  .390  .103 .6824  8.9
NaX10  .120  .268  .558 .0186  9.4
KX10   .120  .268  .558 .0013  9.4
MgX10  .120  .268  .558  .023  9.4
CaX10  .120  .268  .558 .0356  9.4
WatX10 .120  .268  .558 .6824  9.4
NaX11  .193  .271  .473 .0186 12.3
KX11   .193  .271  .473 .0013 12.3
MgX11  .193  .271  .473  .023 12.3
CaX11  .193  .271  .473 .0356 12.3
WatX11 .193  .271  .473 .6824 12.3
NaX12     0  .301  .064 .0186  8.9
KX12      0  .301  .064 .0013  8.9
MgX12     0  .301  .064  .023  8.9
CaX12     0  .301  .064 .0356  8.9
WatX12    0  .301  .064 .6824  8.9
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Total number of retrieved datasets: 1
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