American Mineralogist Crystal Structure Database

40 matching records for this search.

Nekoite
Download hom/nekoite.pdf
Alberti A, Galli E
Download am/vol65/AM65_1270.pdf
American Mineralogist 65 (1980) 1270-1276
The structure of nekoite, Ca3Si6O15*7H2O, a new type of sheet silicate
Locality: Caxias do Sul, Rio Grande do Sul, Brazil
_database_code_amcsd 0000803
7.588 9.793 7.339 111.77 103.50 86.53 P1
atom      x      y      z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca1   .5366  .1658  .4731      0.0136 0.0010 0.0075 0.0002 0.0013 0.0006
Ca2   .4671 -.1608  .5595      0.0133 0.0012 0.0068 0.0008 0.0024 0.0008
Ca3   .4493 -.1628  .0297      0.0138 0.0002 0.0072 0.0011 0.0016 0.0012
Si1   .1572  .1374  .0791  0.9
Si2  -.1287 -.1229 -.0428  1.7
Si3  -.1380 -.1058  .3978  1.0
Si4   .1602  .1414  .6624  1.2
Si5   .1802  .3783  .4897  1.2
Si6   .0695  .7051  .6358  1.3
O1   -.0218  .0291 -.0046  2.5
O2    .1023  .2796  .2485  2.2
O3   -.0366 -.2616 -.1835  2.1
O4    .3357  .0605  .1573  2.6
O5   -.3354 -.1078 -.1182  2.1
O6   -.0921 -.1487  .1810  2.9
O7    .1717  .1939 -.0926  1.7
O8   -.0323  .0384  .5439  2.6
O9   -.0697 -.2401  .4612  1.5
O10   .1169  .2931  .6219  1.4
O11  -.3558 -.0813  .3768  1.5
O12   .3313  .0589  .5923  2.3
O13   .0751  .5289  .5339  1.6
O14   .3995  .3923  .5464  2.2
O15   .2543  .7873  .7148  3.7
Wat1  .5054 -.4210 -.0770  3.9
Wat2  .5499 -.4132  .4586  4.9
Wat3  .7084  .2084  .8207  8.0
Wat4  .7141  .2183  .2877  7.4
Wat5  .0825  .5093  .0357  6.7
Wat6  .7598  .4588  .1661  5.2
Wat7  .2745 -.2432  .2251  2.2
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Terranovaite
 
Galli E, Quartieri S, Vezzalini G, Alberti A, Franzini M
Download am/vol82/AM82_423.pdf
American Mineralogist 82 (1997) 423-429
Terranovaite from Antarctica: A new 'pentasil' zeolite
_database_code_amcsd 0001886
9.747 23.880 20.068 90 90 90 Cmcm
atom      x     y     z occ Biso
Si1       0 .4524 .3281 .85 1.01
Al1       0 .4524 .3281 .15 1.01
Si2       0 .5440 .4396 .85 1.18
Al2       0 .5440 .4396 .15 1.18
Si3   .7919 .3604 .3728 .85 1.28
Al3   .7919 .3604 .3728 .15 1.28
Si4   .7917 .6392 .4694 .85 1.13
Al4   .7917 .6392 .4694 .15 1.13
Si5       0 .1806 .4414 .85 1.07
Al5       0 .1806 .4414 .15 1.07
Si6       0 .7321 .4365 .85 1.01
Al6       0 .7321 .4365 .15 1.01
Si7       0 .2697 .3272 .85 1.15
Al7       0 .2697 .3272 .15 1.15
Si8       0 .8252 .3289 .85 1.02
Al8       0 .8252 .3289 .15 1.02
O1        0 .4692   .25     3.41
O2        0 .5113 .3679     3.97
O3    .1367 .4160 .3453     3.74
O4        0    .5    .5     5.66
O5    .8630 .5836 .4415     3.97
O6    .1958 .3683 .4512     5.04
O7    .6325 .3623 .3488     3.16
O8    .8661 .3057 .3415     3.47
O9    .3663 .6374 .4453     2.34
O10   .8655 .6932 .4377     3.03
O11       0 .2124 .3685     2.93
O12       0 .7751 .4970     3.09
O13       0 .7648 .3656     2.39
O14       0 .2515   .25     3.28
O15       0 .8123   .25     4.01
Na1       0 .0458 .4442 .05   .7
Ca1       0 .0458 .4442 .05   .7
Wat1      0 .0458 .4442 .37   .7
Na2       0 .0403   .25 .08  1.6
Ca2       0 .0403   .25 .08  1.6
Wat2      0 .0403   .25 .56  1.6
Na3   .3578 .4603   .25 .11  9.2
Ca3   .3578 .4603   .25 .11  9.2
Wat3  .3578 .4603   .25 .76  9.2
Na4   .1457 .0399 .3495 .08  9.5
Ca4   .1457 .0399 .3495 .08  9.5
Wat4  .1457 .0399 .3495 .58  9.5
Na5       0 .6982   .25 .06  9.5
Ca5       0 .6982   .25 .06  9.5
Wat5      0 .6982   .25 .44  9.5
Na6       0 .9509 .4405 .06  9.5
Ca6       0 .9509 .4405 .06  9.5
Wat6      0 .9509 .4405 .44  9.5
Na7   .9089 .1288   .25 .06  9.5
Ca7   .9089 .1288   .25 .06  9.5
Wat7  .9089 .1288   .25 .44  9.5
Na8   .3519 .4804 .4598 .04  8.2
Ca8   .3519 .4804 .4598 .04  8.2
Wat8  .3519 .4804 .4598 .29  8.2
Na9       0 .9651 .3547 .03  4.1
Ca9       0 .9651 .3547 .03  4.1
Wat9      0 .9651 .3547 .20  4.1
Na10      0 .5972   .25 .06 11.8
Ca10      0 .5972   .25 .06 11.8
Wat10     0 .5972   .25 .44 11.8
Na11  .3056 .1983   .25 .05  9.5
Ca11  .3056 .1983   .25 .05  9.5
Wat11 .3056 .1983   .25 .37  9.5
Na12  .1901 .0815 .1907 .02  8.7
Ca12  .1901 .0815 .1907 .02  8.7
Wat12 .1901 .0815 .1907 .16  8.7
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Albite
Download hom/albite.pdf
Meneghinello E, Alberti A, Cruciani G
Download am/vol84/AM84_1144.pdf
American Mineralogist 84 (1999) 1144-1151
Order-disorder process in the tetrahedral sites af albite
Sample: untreated
Locality: Stintino, Sardinia, Italy
_database_code_amcsd 0002264
8.133 12.773 7.159 94.23 116.64 87.72 C-1
atom     x     y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na   .2681 .9888 .1462 .996  .0152  .0476  .0320 -.0053  .0093 -.0219
Ca   .2681 .9888 .1462 .010  .0152  .0476  .0320 -.0053  .0093 -.0219
K    .2681 .9888 .1462 .004  .0152  .0476  .0320 -.0053  .0093 -.0219
Allo .0090 .1684 .2085  .96  .0089  .0080  .0070 -.0013  .0042  .0005
Silo .0090 .1684 .2085  .04  .0089  .0080  .0070 -.0013  .0042  .0005
Silm .0039 .8205 .2373  .97  .0080  .0073  .0063  .0010  .0038  .0011
Allm .0039 .8205 .2373  .03  .0080  .0073  .0063  .0010  .0038  .0011
Si2o .6917 .1103 .3150       .0078  .0061  .0083 -.0008  .0034  .0006
Si2m .6815 .8818 .3608  .99  .0071  .0063  .0084  .0005  .0038  .0013
Al2m .6815 .8818 .3608  .01  .0071  .0063  .0084  .0005  .0038  .0013
OA1  .0045 .1310 .9663       .0196  .0120  .0079  .0001  .0083  .0014
OA2  .5912 .9973 .2805       .0077  .0066  .0112  .0000  .0034  .0018
OBo  .8126 .1095 .1907       .0126  .0142  .0174 -.0037  .0105 -.0011
OBm  .8201 .8509 .2591       .0147  .0160  .0243  .0048  .0139  .0037
OCo  .0131 .3021 .2698       .0113  .0086  .0154 -.0020  .0063 -.0010
OCm  .0239 .6937 .2288       .0122  .0081  .0145  .0023  .0051  .0025
ODo  .2074 .1091 .3891       .0128  .0132  .0081  .0012  .0023  .0018
ODm  .1832 .8678 .4365       .0141  .0136  .0095 -.0025  .0000 -.0004
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Albite
Download hom/albite.pdf
Meneghinello E, Alberti A, Cruciani G
Download am/vol84/AM84_1144.pdf
American Mineralogist 84 (1999) 1144-1151
Order-disorder process in the tetrahedral sites af albite
Sample: 1050-3d
Locality: Stintino, Sardinia, Italy
_database_code_amcsd 0002265
8.141 12.795 7.145 94.04 116.56 87.98 C-1
atom     x     y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na   .2691 .9898 .1460 .996  .0150  .0592  .0355 -.0045  .0087 -.0262
Ca   .2691 .9898 .1460 .010  .0150  .0592  .0355 -.0045  .0087 -.0262
K    .2691 .9898 .1460 .004  .0150  .0592  .0355 -.0045  .0087 -.0262
Al1o .0088 .1690 .2090  .91  .0101  .0095  .0082 -.0015  .0045  .0008
Si1o .0088 .1690 .2090  .09  .0101  .0095  .0082 -.0015  .0045  .0008
Si1m .0039 .8200 .2366  .96  .0090  .0088  .0073  .0009  .0041  .0014
Al1m .0039 .8200 .2366  .04  .0090  .0088  .0073  .0009  .0041  .0014
Si2o .6921 .1104 .3159  .98  .0089  .0082  .0094 -.0002  .0038  .0010
Al2o .6921 .1104 .3159  .02  .0089  .0082  .0094 -.0002  .0038  .0010
Si2m .6825 .8816 .3600  .97  .0086  .0082  .0098  .0006  .0042  .0016
Al2m .6825 .8816 .3600  .03  .0086  .0082  .0098  .0006  .0042  .0016
OA1  .0048 .1320 .9681       .0206  .0156  .0092 -.0002  .0079  .0012
OA2  .5935 .9971 .2807       .0101  .0090  .0138  .0000  .0045  .0027
OBo  .8134 .1108 .1911       .0144  .0168  .0195 -.0039  .0112 -.0005
OBm  .8205 .8513 .2573       .0158  .0189  .0246  .0043  .0135  .0014
OCo  .0142 .3017 .2705       .0128  .0112  .0167 -.0024  .0062 -.0008
OCm  .0240 .6933 .2296       .0126  .0101  .0150  .0026  .0037  .0018
ODo  .2059 .1094 .3885       .0147  .0157  .0101  .0007  .0028  .0018
ODm  .1833 .8684 .4345       .0162  .0159  .0113 -.0025  .0010 -.0014
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Albite
Download hom/albite.pdf
Meneghinello E, Alberti A, Cruciani G
Download am/vol84/AM84_1144.pdf
American Mineralogist 84 (1999) 1144-1151
Order-disorder process in the tetrahedral sites af albite
Sample: 1060-6d
Locality: Stintino, Sardinia, Italy
_database_code_amcsd 0002266
8.170 12.811 7.141 93.79 116.53 88.09 C-1
atom     x     y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na   .2706 .9912 .1456 .996  .0147  .0668  .0419 -.0061  .0099 -.0331
Ca   .2706 .9912 .1456 .010  .0147  .0668  .0419 -.0061  .0099 -.0331
K    .2706 .9912 .1456 .004  .0147  .0668  .0419 -.0061  .0099 -.0331
Al1o .0091 .1692 .2102  .84  .0121  .0097  .0094 -.0029  .0058  .0004
Si1o .0091 .1692 .2102  .16  .0121  .0097  .0094 -.0029  .0058  .0004
Si1m .0042 .8194 .2356  .93  .0108  .0097  .0085  .0013  .0052  .0011
Al1m .0042 .8194 .2356  .07  .0108  .0097  .0085  .0013  .0052  .0011
Si2o .6930 .1109 .3179  .95  .0110  .0075  .0111 -.0009  .0050  .0006
Al2o .6930 .1109 .3179  .05  .0110  .0075  .0111 -.0009  .0050  .0006
Si2m .6842 .8815 .3588  .96  .0103  .0080  .0111 -.0003  .0049  .0011
Al2m .6842 .8815 .3588  .04  .0103  .0080  .0111 -.0003  .0049  .0011
OA1  .0046 .1335 .9711       .0253  .0156  .0134 -.0016  .0116  .0021
OA2  .5944 .9964 .2813       .0122  .0091  .0169 -.0008  .0054  .0012
OBo  .8144 .1126 .1936       .0177  .0191  .0230 -.0033  .0132  .0009
OBm  .8211 .8515 .2553       .0192  .0189  .0305  .0032  .0170 -.0001
OCo  .0154 .3013 .2697       .0146  .0147  .0194 -.0031  .0081 -.0021
OCm  .0244 .6926 .2308       .0149  .0103  .0194  .0024  .0062  .0019
ODo  .2036 .1111 .3900       .0173  .0146  .0137 -.0022  .0041  .0020
ODm  .1830 .8683 .4330       .0165  .0171  .0118 -.0020  .0018 -.0003
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Albite
Download hom/albite.pdf
Meneghinello E, Alberti A, Cruciani G
Download am/vol84/AM84_1144.pdf
American Mineralogist 84 (1999) 1144-1151
Order-disorder process in the tetrahedral sites af albite
Sample: 1070-7d
Locality: Stintino, Sardinia, Italy
_database_code_amcsd 0002267
8.140 12.791 7.132 93.94 116.54 88.46 C-1
atom     x     y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na   .2704 .9937 .1441 .996  .0161  .0811  .0470 -.0053  .0093 -.0413
Ca   .2704 .9937 .1441 .010  .0161  .0811  .0470 -.0053  .0093 -.0413
K    .2704 .9937 .1441 .004  .0161  .0811  .0470 -.0053  .0093 -.0413
Al1o .0089 .1681 .2105  .78  .0115  .0107  .0082 -.0028  .0049  .0005
Si1o .0089 .1681 .2105  .22  .0115  .0107  .0082 -.0028  .0049  .0005
Si1m .0039 .8185 .2348  .92  .0100  .0103  .0082  .0015  .0044  .0015
Al1m .0039 .8185 .2348  .08  .0100  .0103  .0082  .0015  .0044  .0015
Si2o .6921 .1100 .3172  .94  .0101  .0085  .0103 -.0010  .0042  .0007
Al2o .6921 .1100 .3172  .06  .0101  .0085  .0103 -.0010  .0042  .0007
Si2m .6837 .8807 .3585  .92  .0097  .0083  .0106  .0001  .0044  .0013
Al2m .6837 .8807 .3585  .08  .0097  .0083  .0106  .0001  .0044  .0013
OA1  .0057 .1331 .9728       .0241  .0185  .0132 -.0006  .0111  .0025
OA2  .5930 .9955 .2803       .0116  .0107  .0147 -.0011  .0042  .0024
OBo  .8153 .1109 .1933       .0171  .0217  .0203 -.0054  .0120 -.0003
OBm  .8206 .8501 .2546       .0173  .0207  .0252  .0034  .0134  .0009
OCo  .0140 .2992 .2720       .0142  .0159  .0172 -.0030  .0060 -.0015
OCm  .0237 .6920 .2279       .0156  .0111  .0176  .0022  .0049  .0019
ODo  .2035 .1102 .3882       .0165  .0166  .0122  .0003  .0040  .0024
ODm  .1842 .8682 .4324       .0178  .0170  .0122 -.0025  .0006 -.0009
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Albite
Download hom/albite.pdf
Meneghinello E, Alberti A, Cruciani G
Download am/vol84/AM84_1144.pdf
American Mineralogist 84 (1999) 1144-1151
Order-disorder process in the tetrahedral sites af albite
Sample: 1080-7d
Locality: Stintino, Sardinia, Italy
_database_code_amcsd 0002268
8.142 12.782 7.136 94.00 116.51 88.13 C-1
atom     x     y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na   .2699 .9911 .1453 .996  .0123  .0666  .0389 -.0036  .0070 -.0326
Ca   .2699 .9911 .1453 .010  .0123  .0666  .0389 -.0036  .0070 -.0326
K    .2699 .9911 .1453 .004  .0123  .0666  .0389 -.0036  .0070 -.0326
Al1o .0089 .1687 .2098  .90  .0093  .0091  .0068 -.0018  .0037  .0005
Si1o .0089 .1687 .2098  .10  .0093  .0091  .0068 -.0018  .0037  .0005
Si1m .0041 .8193 .2357  .95  .0085  .0085  .0066  .0012  .0037  .0010
Al1m .0041 .8193 .2357  .05  .0085  .0085  .0066  .0012  .0037  .0010
Si2o .6923 .1103 .3167  .98  .0082  .0071  .0086 -.0005  .0033  .0006
Al2o .6923 .1103 .3167  .02  .0082  .0071  .0086 -.0005  .0033  .0006
Si2m .6833 .8812 .3593  .97  .0081  .0071  .0088  .0004  .0036  .0011
Al2m .6833 .8812 .3593  .03  .0081  .0071  .0088  .0004  .0036  .0011
OA1  .0048 .1323 .9700       .0197  .0161  .0102  .0004  .0083  .0027
OA2  .5941 .9966 .2812       .0105  .0081  .0129  .0003  .0041  .0024
OBo  .8138 .1112 .1923       .0155  .0167  .0186 -.0037  .0108 -.0003
OBm  .8203 .8504 .2558       .0152  .0198  .0246  .0042  .0135  .0009
OCo  .0149 .3010 .2708       .0114  .0128  .0163 -.0022  .0053 -.0013
OCm  .0237 .6928 .2291       .0116  .0104  .0155  .0021  .0031  .0011
ODo  .2045 .1103 .3888       .0148  .0162  .0096  .0016  .0024  .0020
ODm  .1839 .8682 .4335       .0147  .0153  .0106 -.0014  .0000 -.0007
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Albite
Download hom/albite.pdf
Meneghinello E, Alberti A, Cruciani G
Download am/vol84/AM84_1144.pdf
American Mineralogist 84 (1999) 1144-1151
Order-disorder process in the tetrahedral sites af albite
Sample: 1080-10d
Locality: Stintino, Sardinia, Italy
_database_code_amcsd 0002269
8.154 12.794 7.129 93.81 116.54 88.48 C-1
atom     x     y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na   .2705 .9932 .1441 .996  .0148  .0793  .0496 -.0074  .0010 -.0427
Ca   .2705 .9932 .1441 .010  .0148  .0793  .0496 -.0074  .0010 -.0427
K    .2705 .9932 .1441 .004  .0148  .0793  .0496 -.0074  .0010 -.0427
Al1o .0095 .1685 .2109  .78  .0115  .0101  .0085 -.0032  .0055  .0001
Si1o .0095 .1685 .2109  .22  .0115  .0101  .0085 -.0032  .0055  .0001
Si1m .0045 .8186 .2343  .90  .0102  .0102  .0077  .0014  .0045  .0008
Al1m .0045 .8186 .2343  .10  .0102  .0102  .0077  .0014  .0045  .0008
Si2o .6922 .1102 .3180  .94  .0098  .0078  .0110 -.0009  .0046  .0004
Al2o .6922 .1102 .3180  .06  .0098  .0078  .0110 -.0009  .0046  .0004
Si2m .6843 .8808 .3581  .94  .0094  .0080  .0110 -.0007  .0048  .0007
Al2m .6843 .8808 .3581  .06  .0094  .0080  .0110 -.0007  .0048  .0007
OA1  .0052 .1337 .9735       .0258  .0146  .0156 -.0033  .0131  .0018
OA2  .5937 .9953 .2805       .0106  .0104  .0173 -.0016  .0055  .0016
OBo  .8154 .1113 .1942       .0182  .0194  .0244 -.0046  .0148 -.0007
OBm  .8199 .8504 .2527       .0182  .0201  .0323  .0020  .0179 -.0014
OCo  .0151 .2993 .2705       .0147  .0151  .0210 -.0047  .0083 -.0037
OCm  .0247 .6920 .2284       .0149  .0115  .0192  .0030  .0055  .0012
ODo  .2027 .1110 .3891       .0157  .0156  .0127 -.0010  .0040  .0018
ODm  .1848 .8686 .4315       .0152  .0168  .0124 -.0013  .0005 -.0017
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Albite
Download hom/albite.pdf
Meneghinello E, Alberti A, Cruciani G
Download am/vol84/AM84_1144.pdf
American Mineralogist 84 (1999) 1144-1151
Order-disorder process in the tetrahedral sites af albite
Sample: 1090-7d
Locality: Stintino, Sardinia, Italy
_database_code_amcsd 0002270
8.160 12.802 7.130 93.72 116.42 88.61 C-1
atom     x     y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na   .2711 .9946 .1432 .996  .0146  .0798  .0476 -.0018  .0070 -.0372
Ca   .2711 .9946 .1432 .010  .0146  .0798  .0476 -.0018  .0070 -.0372
K    .2711 .9946 .1432 .004  .0146  .0798  .0476 -.0018  .0070 -.0372
Al1o .0088 .1691 .2112  .75  .0122  .0120  .0089 -.0026  .0050  .0008
Si1o .0088 .1691 .2112  .25  .0122  .0120  .0089 -.0026  .0050  .0008
Si1m .0043 .8182 .2340  .90  .0112  .0116  .0088  .0013  .0050  .0016
Al1m .0043 .8182 .2340  .10  .0112  .0116  .0088  .0013  .0050  .0016
Si2o .6927 .1104 .3191  .92  .0109  .0091  .0115 -.0004  .0049  .0012
Al2o .6927 .1104 .3191  .08  .0109  .0091  .0115 -.0004  .0049  .0012
Si2m .6850 .8807 .3573  .93  .0107  .0090  .0114  .0007  .0047  .0015
Al2m .6850 .8807 .3573  .07  .0107  .0090  .0114  .0007  .0047  .0015
OA1  .0051 .1339 .9752       .0257  .0209  .0153  .0013  .0118  .0043
OA2  .5950 .9956 .2807       .0135  .0113  .0170 -.0002  .0053  .0027
OBo  .8158 .1123 .1952       .0182  .0239  .0232 -.0047  .0130  .0014
OBm  .8204 .8510 .2519       .0177  .0218  .0294  .0045  .0150  .0018
OCo  .0162 .2993 .2710       .0148  .0167  .0183 -.0026  .0054 -.0009
OCm  .0236 .6920 .2292       .0145  .0132  .0187  .0027  .0048  .0017
ODo  .2021 .1107 .3894       .0168  .0186  .0139  .0010  .0031  .0039
ODm  .1840 .8682 .4308       .0179  .0191  .0127 -.0023  .0013 -.0009
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Albite
Download hom/albite.pdf
Meneghinello E, Alberti A, Cruciani G
Download am/vol84/AM84_1144.pdf
American Mineralogist 84 (1999) 1144-1151
Order-disorder process in the tetrahedral sites af albite
Sample: 1090-12d
Locality: Stintino, Sardinia, Italy
_database_code_amcsd 0002271
8.152 12.831 7.110 93.46 116.52 89.72 C-1
atom     x     y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na   .2727 .0020 .1373 .996  .0141  .1261  .0703  .0037  .0052 -.0620
Ca   .2727 .0020 .1373 .010  .0141  .1261  .0703  .0037  .0052 -.0620
K    .2727 .0020 .1373 .004  .0141  .1261  .0703  .0037  .0052 -.0620
Al1o .0091 .1667 .2135  .43  .0117  .0130  .0096 -.0019  .0050  .0013
Si1o .0091 .1667 .2135  .57  .0117  .0130  .0096 -.0019  .0050  .0013
Si1m .0049 .8159 .2307  .75  .0112  .0126  .0093  .0026  .0050  .0020
Al1m .0049 .8159 .2307  .25  .0112  .0126  .0093  .0026  .0050  .0020
Si2o .6914 .1089 .3203  .83  .0112  .0105  .0122  .0003  .0051  .0014
Al2o .6914 .1089 .3203  .17  .0112  .0105  .0122  .0003  .0051  .0014
Si2m .6851 .8787 .3549  .85  .0114  .0100  .0121  .0010  .0052  .0020
Al2m .6851 .8787 .3549  .15  .0114  .0100  .0121  .0010  .0052  .0020
OA1  .0048 .1349 .9810       .0241  .0203  .0180  .0044  .0118  .0043
OA2  .5944 .9929 .2795       .0126  .0151  .0193  .0011  .0062  .0036
OBo  .8196 .1094 .1976       .0171  .0279  .0257 -.0031  .0129  .0037
OBm  .8183 .8487 .2475       .0167  .0292  .0316  .0072  .0149  .0051
OCo  .0177 .2929 .2740       .0147  .0213  .0191 -.0026  .0062 -.0015
OCm  .0218 .6895 .2223       .0158  .0170  .0202  .0039  .0050  .0024
ODo  .1983 .1113 .3889       .0181  .0204  .0151  .0031  .0058  .0043
ODm  .1872 .8681 .4282       .0180  .0192  .0162 -.0007  .0032 -.0028
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Boggsite
Download hom/boggsite.pdf
Zanardi S, Cruciani G, Alberti A, Galli E
Download am/vol89/AM89_1033.pdf
American Mineralogist 89 (2004) 1033-1042
Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study
Note: Wat represents an unknown distribution across the Wat sites of
[Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001,Wat8.06]
Note: Reported occupancies are discrepant with reported formula.
Sample: BOG-RT, T = 25 C
_database_code_amcsd 0003579
20.291 23.840 12.807 90 90 90 Imma
atom        x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
Al1    .18888 .18535  .6719  .24  .0252  .0267   .020  .0284 -.0007   .0024 -.0020
Si1    .18888 .18535  .6719  .76  .0252  .0267   .020  .0284 -.0007   .0024 -.0020
Al2    .19034 .02428  .3298  .33  .0276   .030  .0295  .0222  .0003  -.0020 -.0014
Si2    .19034 .02428  .3298  .67  .0276   .030  .0295  .0222  .0003  -.0020 -.0014
Al3    .07700 .18526  .8355  .26  .0250  .0264   .019  .0295  .0005   .0002  .0010
Si3    .07700 .18526  .8355  .74  .0250  .0264   .019  .0295  .0005   .0002  .0010
Al4    .07744 .02186  .1645  .26  .0257   .025  .0285  .0232  .0005   .0005  .0005
Si4    .07744 .02186  .1645  .74  .0257   .025  .0285  .0232  .0005   .0005  .0005
Al5    .22159 .08334  .5383  .07  .0257   .026   .024  .0262 -.0005   .0007 -.0032
Si5    .22159 .08334  .5383  .93  .0257   .026   .024  .0262 -.0005   .0007 -.0032
Al6    .12247 .08391  .9660  .05  .0250   .025   .023  .0262 -.0007  -.0000  .0047
Si6    .12247 .08391  .9660  .95  .0250   .025   .023  .0262 -.0007  -.0000  .0047
O1      .1887    .25  .6288        .039   .062   .019 .03577   .000  .00593   .000
O2      .1191  .1713  .7297        .044   .044   .041   .046  -.002    .010  -.004
O3      .1962  .1456  .5686        .044   .057   .032   .041   .006    .000  -.006
O4      .1897  .0703  .4254        .048   .065   .046   .033   .001   -.006  -.009
O5      .1183  .0321  .2727        .048   .038   .067   .038  -.000   -.006  -.006
O6      .0899    .25  .8737        .035   .042   .023 .03829   .000 -.00304   .000
O7          0  .1755  .8034        .043   .027   .044   .055   .000       0  -.010
O8          0  .0258  .1946        .048   .031   .070   .041   .000       0   .003
O9      .1960  .0388  .6221        .059   .099   .037   .039  -.005    .014   .008
O10     .0986  .1457  .9338        .048   .071   .029   .042   .002   -.005   .006
O11     .0950  .0721  .0820        .052   .073   .044   .037  -.004    .016   .009
O12     .2005  .0819  .9702        .078   .025   .099   .110  -.002    .000   .039
O13     .0952  .0385  .8859        .058   .096   .032   .045  -.005   -.016  -.010
O14       .25  .1752    .75        .051   .049   .048   .053   .000   -.019   .000
O15       .25 -.0395    .75        .054   .046   .071   .043   .000   -.005   .000
Wat1      0     .179   .108  .48   .144
Wat2   .190     .162   .207  .42   .101
Wat3   .194      .25   .045  .47   .110
Wat4   .110     .165   .403  .38   .131
Wat5      0     .164   .592  .36   .113
Wat6      0     .030   .410  .42   .137
Wat7   .071     .124   .402  .36   .109
Wat8   .050     .076   .619  .40   .140
Wat9   .153      .25   .235  .32   .057
Wat10  .130      .25   .082  .37   .144
Wat11  .208      .25   .405  .21   .125
Wat12    .197    .25   .233  .37   .091
Wat13       0   .086   .414  .24   .103
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Boggsite
Download hom/boggsite.pdf
Zanardi S, Cruciani G, Alberti A, Galli E
Download am/vol89/AM89_1033.pdf
American Mineralogist 89 (2004) 1033-1042
Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study
Note: Ca represents an unknown distribution across the Ca sites of
[Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001]
Note: Reported occupancies are discrepant with reported formula.
Sample: BOG-150, T = 150 C
_database_code_amcsd 0003580
20.299 23.746 12.814 90 90 90 Imma
atom        x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
Al1    .18772 .18509  .6730  .22  .0348  .0373  .0278  .0392 -.0004   .0042 -.0032
Si1    .18772 .18509  .6730  .78  .0348  .0373  .0278  .0392 -.0004   .0042 -.0032
Al2    .18924 .02419  .3300  .30  .0370  .0407  .0393  .0309  .0012  -.0049 -.0014
Si2    .18924 .02419  .3300  .70  .0370  .0407  .0393  .0309  .0012  -.0049 -.0014
Al3    .07707 .18423  .8381  .23  .0358  .0334  .0284  .0454  .0007   .0024  .0038
Si3    .07707 .18423  .8381  .77  .0358  .0334  .0284  .0454  .0007   .0024  .0038
Al4    .07787 .02185  .1628  .23  .0339  .0324  .0382  .0311  .0016  -.0009  .0027
Si4    .07787 .02185  .1628  .77  .0339  .0324  .0382  .0311  .0016  -.0009  .0027
Al5    .21928 .08334  .5382  .04  .0338  .0351  .0322  .0341 -.0016   .0002 -.0061
Si5    .21928 .08334  .5382  .96  .0338  .0351  .0322  .0341 -.0016   .0002 -.0061
Al6    .12439 .08374  .9624  .03  .0352  .0349  .0325  .0380 -.0021  -.0022  .0060
Si6    .12439 .08374  .9624  .97  .0352  .0349  .0325  .0380 -.0021  -.0022  .0060
O1      .1827    .25  .6340        .055   .081   .032   .050      0    .003      0
O2      .1190  .1666  .7333        .055   .049   .052   .062  -.004    .015  -.005
O3      .1948  .1453  .5706        .060   .085   .042   .052   .013    .000  -.017
O4      .1922  .0710  .4228        .059   .080   .051   .044   .002   -.015  -.011
O5      .1170  .0315  .2726        .065   .057   .086   .052   .008   -.016  -.011
O6      .0880    .25  .8667        .058   .075   .029   .069      0    .004      0
O7          0  .1696  .8097        .063   .033   .062   .092      0       0   .006
O8          0  .0261  .1915        .071   .030   .090   .091      0       0  -.017
O9      .1869  .0393  .6189        .073   .113   .051   .053  -.013    .015   .003
O10     .1020  .1467  .9367        .062   .095   .035   .054   .009   -.009   .006
O11     .0985  .0678  .0756        .071   .103   .061   .047  -.005    .014   .017
O12     .2029  .0778  .9580        .091   .040   .122   .111  -.002   -.003   .028
O13     .0925  .0427  .8759        .068   .087   .047   .068  -.010   -.004  -.014
O14       .25  .1756    .75        .064   .055   .055   .081      0   -.021      0
O15       .25 -.0320    .75        .073   .055   .110   .053      0   -.015      0
Ca1     .0717  .0787  .6767 .278   .068   .075   .048   .080  -.009   -.018   .005
Ca2         0  .0278  .3690 .031   .059
Ca3         0  .1453  .0865 .083   .083
Wat1     .038   .077   .639  .31   .115
Wat2     .297   .226   .493  .14   .109
Wat3     .051   .079   .483  .16   .126
Wat4        0   .151   .588  .09   .123
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Boggsite
Download hom/boggsite.pdf
Zanardi S, Cruciani G, Alberti A, Galli E
Download am/vol89/AM89_1033.pdf
American Mineralogist 89 (2004) 1033-1042
Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study
Note: Ca represents an unknown distribution across the Ca sites of
[Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001]
Note: Reported occupancies are discrepant with reported formula.
Sample: BOG-350, T = 350 C
_database_code_amcsd 0003581
20.053 23.838 12.850 90 90 90 Imma
atom        x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
Al1    .18703 .18526  .6745  .23  .0381  .0419  .0319  .0404  .0013   .0009 -.0040
Si1    .18703 .18526  .6745  .77  .0381  .0419  .0319  .0404  .0013   .0009 -.0040
Al2    .18929 .02486  .3301  .31  .0413  .0460  .0458  .0319  .0025  -.0037 -.0033
Si2    .18929 .02486  .3301  .69  .0413  .0460  .0458  .0319  .0025  -.0037 -.0033
Al3    .07692 .18450  .8410  .23  .0412  .0367  .0322  .0547  .0020   .0046  .0066
Si3    .07692 .18450  .8410  .77  .0412  .0367  .0322  .0547  .0020   .0046  .0066
Al4    .07832 .02062  .1630  .20  .0391  .0339  .0463  .0368  .0000  -.0000  .0008
Si4    .07832 .02062  .1630  .80  .0391  .0339  .0463  .0368  .0000  -.0000  .0008
Al5    .21870 .08387  .5390  .05  .0407  .0439  .0396  .0383 -.0030   .0002 -.0079
Si5    .21870 .08387  .5390  .95  .0407  .0439  .0396  .0383 -.0030   .0002 -.0079
Al6    .12429 .08451  .9639  .04  .0443  .0462  .0404  .0460 -.0038  -.0042  .0075
Si6    .12429 .08451  .9639  .96  .0443  .0462  .0404  .0460 -.0038  -.0042  .0075
O1      .1823    .25  .6386        .058   .082   .034   .056      0    .002      0
O2      .1200  .1655  .7383        .063   .061   .058   .070  -.006    .019  -.004
O3      .1922  .1439  .5741        .066   .087   .052   .057   .011   -.000  -.020
O4      .1916  .0690  .4263        .067   .088   .061   .050   .002   -.014  -.017
O5      .1176  .0301  .2715        .072   .060   .098   .057   .007   -.017  -.008
O6      .0873    .25  .8671        .066   .081   .034   .083      0    .002      0
O7          0  .1689  .8104        .068   .032   .076   .094      0       0  -.000
O8          0  .0221  .1882        .085   .039   .114   .100      0       0  -.021
O9      .1902  .0398  .6243        .087   .142   .057   .060  -.019    .014   .009
O10     .1007  .1465  .9392        .071   .104   .042   .064   .004   -.007   .011
O11     .0987  .0650  .0743        .078   .105   .071   .056  -.004    .015   .024
O12     .2030  .0806  .9588        .106   .041   .148   .128  -.004   -.011   .036
O13     .0950  .0439  .8735        .078   .104   .055   .073  -.020   -.004  -.014
O14       .25  .1745    .75        .071   .061   .074   .077      0   -.027      0
O15       .25 -.0339    .75        .079   .059   .120   .056      0   -.019      0
Ca1     .0785  .0797  .6956 .284   .084   .124   .055   .072  -.012   -.020   .003
Ca2         0  .0859  .7456 .135   .115
Ca3         0  .1388  .0729 .028   .070
Ca3b        0  .0862 -.0469 .022   .062
Ca4     .1944  .0807  .7831 .109   .069
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Boggsite
Download hom/boggsite.pdf
Zanardi S, Cruciani G, Alberti A, Galli E
Download am/vol89/AM89_1033.pdf
American Mineralogist 89 (2004) 1033-1042
Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study
Note: Ca represents an unknown distribution across the Ca sites of
[Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001]
Note: Reported occupancies are discrepant with reported formula.
Sample: BOG-500, T = 500 C
_database_code_amcsd 0003582
20.041 23.814 12.869 90 90 90 Imma
atom        x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
Al1    .18720 .18501  .6746  .22  .0427  .0475  .0363  .0441  .0009   .0012 -.0054
Si1    .18720 .18501  .6746  .78  .0427  .0475  .0363  .0441  .0009   .0012 -.0054
Al2    .18952 .02465  .3305  .30 .04557  .0487  .0519  .0359  .0024  -.0051 -.0027
Si2    .18952 .02465  .3305  .70 .04557  .0487  .0519  .0359  .0024  -.0051 -.0027
Al3    .07665 .18452  .8404  .24  .0463  .0405  .0371  .0613  .0023   .0061  .0073
Si3    .07665 .18452  .8404  .76  .0463  .0405  .0371  .0613  .0023   .0061  .0073
Al4    .07831 .01987  .1633  .23  .0442  .0380  .0533  .0410 -.0003   .0009  .0013
Si4    .07831 .01987  .1633  .77  .0442  .0380  .0533  .0410 -.0003   .0009  .0013
Al5    .21889 .08420  .5376  .04  .0448  .0468  .0451  .0422 -.0024   .0002 -.0080
Si5    .21889 .08420  .5376  .96  .0448  .0468  .0451  .0422 -.0024   .0002 -.0080
Al6    .12373 .08518  .9669  .04  .0483  .0489  .0459  .0499 -.0042  -.0044  .0081
Si6    .12373 .08518  .9669  .96  .0483  .0489  .0459  .0499 -.0042  -.0044  .0081
O1      .1841    .25  .6405        .067   .094   .036   .069      0    .004      0
O2      .1208  .1660  .7388        .072   .068   .067   .080  -.007    .024  -.007
O3      .1924  .1442  .5740        .072   .095   .057   .063   .012   -.001  -.021
O4      .1905  .0685  .4266        .072   .092   .070   .053   .004   -.014  -.021
O5      .1181  .0280  .2720        .077   .064   .106   .059   .003   -.018  -.006
O6      .0868    .25  .8666        .076   .095   .037   .094      0    .004      0
O7          0  .1687  .8087        .075   .037   .081   .104      0       0   .002
O8          0  .0194  .1903        .087   .046   .117   .098      0       0  -.006
O9      .1948  .0400  .6247        .100   .170   .062   .068  -.021    .017   .010
O10     .0991  .1465  .9394        .080   .113   .050   .075   .006   -.010   .016
O11     .0966  .0662  .0774        .081   .104   .077   .061  -.006    .015   .021
O12     .2027  .0829  .9641        .115   .041   .168   .133  -.005   -.006   .036
O13     .0967  .0436  .8776        .088   .122   .064   .077  -.018   -.007  -.013
O14       .25  .1716    .75        .079   .068   .084   .084      0   -.033      0
O15       .25 -.0344    .75        .088   .064   .135   .064      0   -.020      0
Ca1     .0772  .0803  .7043 .243   .098   .147   .063   .084  -.010   -.036   .003
Ca2         0  .0858  .7532 .120   .110
Ca3         0  .1267  .0550 .023   .066
Ca4     .1929  .0789  .7779 .166   .074
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Boggsite
Download hom/boggsite.pdf
Zanardi S, Cruciani G, Alberti A, Galli E
Download am/vol89/AM89_1033.pdf
American Mineralogist 89 (2004) 1033-1042
Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study
Note: Ca represents an unknown distribution across the Ca sites of
[Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001]
Note: Reported occupancies are discrepant with reported formula.
Sample: BOG-150-R, T = 150 C
_database_code_amcsd 0003583
20.087 23.800 12.805 90 90 90 Imma
atom        x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
Al1    .18746 .18525  .6732  .23  .0350  .0373  .0286  .0390  .0004   .0040 -.0033
Si1    .18746 .18525  .6732  .77  .0350  .0373  .0286  .0390  .0004   .0040 -.0033
Al2    .18913 .02434  .3300  .31  .0375  .0420  .0394  .0308  .0016  -.0062 -.0018
Si2    .18913 .02434  .3300  .69  .0375  .0420  .0394  .0308  .0016  -.0062 -.0018
Al3    .07719 .18446  .8389  .24  .0357  .0326  .0277  .0466  .0021   .0018  .0037
Si3    .07719 .18446  .8389  .76  .0357  .0326  .0277  .0466  .0021   .0018  .0037
Al4    .07795 .02185  .1630  .22  .0340  .0314  .0380  .0324  .0011  -.0002  .0022
Si4    .07795 .02185  .1630  .78  .0340  .0314  .0380  .0324  .0011  -.0002  .0022
Al5    .21920 .08338  .5392  .06  .0351  .0358  .0341  .0351 -.0020   .0004 -.0065
Si5    .21920 .08338  .5392  .94  .0351  .0358  .0341  .0351 -.0020   .0004 -.0065
Al6    .12437 .08371  .9614  .01  .0363  .0371  .0330  .0386 -.0021  -.0022  .0065
Si6    .12437 .08371  .9614  .99  .0363  .0371  .0330  .0386 -.0021  -.0022  .0065
O1      .1822    .25  .6347        .053   .079   .028   .050      0    .004      0
O2      .1191  .1664  .7341        .054   .047   .053   .059  -.004    .012  -.006
O3      .1942  .1448  .5714        .061   .085   .042   .054   .014   -.001  -.017
O4      .1927  .0704  .4237        .060   .083   .052   .043   .001   -.017  -.014
O5      .1165  .0316  .2729        .065   .061   .084   .050   .012   -.016  -.009
O6      .0885    .25  .8668        .058   .077   .029   .065      0    .002      0
O7          0  .1702  .8095        .061   .027   .069   .087      0       0   .012
O8          0  .0265  .1906        .072   .034   .088   .093      0       0  -.022
O9      .1863  .0395  .6210        .075   .116   .050   .057  -.014    .017   .004
O10     .1019  .1463  .9374        .060   .089   .034   .055   .005   -.009   .007
O11     .0995  .0667  .0749        .071   .103   .061   .047  -.006    .016   .017
O12     .2026  .0782  .9558        .092   .038   .118   .117  -.001   -.001   .025
O13     .0925  .0430  .8741        .068   .088   .046   .068  -.010   -.005  -.012
O14       .25  .1761    .75        .062   .051   .055   .080      0   -.016      0
O15       .25 -.0328    .75        .073   .056   .107   .054      0   -.010      0
Ca1     .0727  .0791  .6767 .289   .071   .080   .045   .086  -.006   -.013   .008
Ca2         0  .0161  .3770 .034   .085
Ca3         0   .142   .087 .063   .081
Wat1     .039   .078   .644  .38   .134
Wat2     .301   .218   .514  .12   .097
Wat3     .050   .078   .491  .19   .127
Wat4        0   .138   .589  .06   .101
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Boggsite
Download hom/boggsite.pdf
Zanardi S, Cruciani G, Alberti A, Galli E
Download am/vol89/AM89_1033.pdf
American Mineralogist 89 (2004) 1033-1042
Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study
Note: Ca represents an unknown distribution across the Ca sites of
[Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001]
Note: Reported occupancies are discrepant with reported formula.
Sample: BOG-RT-R, T = 25 C
_database_code_amcsd 0003584
20.295 23.843 12.802 90 90 90 Imma
atom        x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
Al1    .18883 .18540  .6721  .26  .0257   .028   .022   .026 -.0004   .0011 -.0022
Si1    .18883 .18540  .6721  .74  .0257   .028   .022   .026 -.0004   .0011 -.0022
Al2    .19043 .02428  .3300  .32  .0258   .031   .030   .020  .0003  -.0016 -.0009
Si2    .19043 .02428  .3300  .68  .0258   .031   .030   .020  .0003  -.0016 -.0009
Al3    .07696 .18537  .8355  .26  .0255   .027   .019   .029  .0006  -.0000  .0013
Si3    .07696 .18537  .8355  .74  .0255   .027   .019   .029  .0006  -.0000  .0013
Al4    .07748 .02163  .1648  .26  .0262   .026   .030   .021  .0002   .0007  .0010
Si4    .07748 .02163  .1648  .74  .0262   .026   .030   .021  .0002   .0007  .0010
Al5     .2219 .08343  .5383  .07  .0271   .028   .027   .025 -.0011   .0007 -.0036
Si5     .2219 .08343  .5383  .93  .0271   .028   .027   .025 -.0011   .0007 -.0036
Al6     .1221 .08402  .9664  .06  .0272   .029   .024   .027 -.0006  -.0001  .0046
Si6     .1221 .08402  .9664  .94  .0272   .029   .024   .027 -.0006  -.0001  .0046
O1      .1881    .25  .6282        .039   .060   .025   .033      0    .004      0
O2      .1190  .1709  .7304        .045   .046   .041   .046  -.004    .013  -.005
O3      .1957  .1454  .5687        .043   .060   .032   .035   .005    .002  -.005
O4      .1896  .0700  .4260        .047   .061   .045   .034   .003   -.008  -.009
O5      .1184  .0316  .2731        .049   .036   .070   .038      0   -.009  -.007
O6      .0899    .25  .8736        .036   .043   .024   .039      0   -.005      0
O7          0  .1755  .8031        .043   .025   .043   .061      0       0  -.011
O8          0  .0254  .1961        .048   .027   .075   .041      0       0   .003
O9      .1973  .0390  .6230        .060   .102   .038   .039  -.006    .012   .007
O10     .0980  .1458  .9342        .049   .073   .030   .041   .006   -.007   .007
O11     .0944  .0721  .0828        .052   .073   .043   .037  -.003    .016   .007
O12     .2002  .0826  .9715        .082   .027   .108   .109  -.000    .002   .040
O13     .0961  .0386  .8859        .058   .093   .032   .048  -.006   -.011  -.010
O14       .25  .1758    .75        .052   .046   .055   .053      0   -.020      0
O15       .25 -.0401    .75        .055   .046   .072   .045      0   -.010      0
Wat1        0   .179   .116  .35   .128
Wat2     .191   .162   .209  .29   .108
Wat3     .191    .25   .045  .34   .105
Wat4     .103   .158   .406  .26   .105
Wat5        0   .172   .578  .28   .100
Wat6        0   .032   .403 .336   .104
Wat7     .069   .123   .400  .35   .098
Wat8     .055  .0781   .618  .34   .102
Wat9     .155    .25   .123 .386   .058
Wat10    .125    .25   .108  .27   .121
Wat11    .194    .25   .140  .22   .143
Wat12    .200    .25   .122  .28   .089
Wat13       0   .103   .395  .24   .104
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Dachiardite-Ca
Download hom/dachiarditeca.pdf
Quartieri S, Vezzalini G, Alberti A
 
European Journal of Mineralogy 2 (1990) 187-193
Dachiardite from Hokiya-dake: evidence of a new topology
Locality: Hokiya-dake, Japan
_database_code_amcsd 0006381
18.625 7.508 10.247 90 108.056 90 C2/m
atom      x     y     z occ Biso
CaC1  .4902 .2391 .1335 .32  7.5
KC2   .5422     0 .5361 .15  6.3
NaC2  .5422     0 .5361 .09  6.3
KC3     1/2  .252     0 .08  6.6
NaC3    1/2  .252     0 .06  6.6
SiT1  .2872 .2063 .1578 .87  1.5
AlT1  .2872 .2063 .1578 .05  1.5
SiT1M  .288  .266  .168 .07  2.2
SiT2  .1917 .2959 .3554 .90  1.9
AlT2  .1917 .2959 .3554 .02  1.9
SiT2M  .188  .230  .356 .08  2.2
SiT3  .0964     0 .6995 .64  1.0
AlT3  .0964     0 .6995 .28  1.0
SiT3M  .089   1/2  .691 .05  2.2
AlT3M  .089   1/2  .691 .03  2.2
SiT4  .0809     0 .3792 .61  1.0
AlT4  .0809     0 .3792 .31  1.0
SiT4M  .078   1/2  .372 .05  2.2
AlT4M  .078   1/2  .372 .03  2.2
O1    .3636 .3204 .2181 .92  3.4
O1M    .376  .152  .226 .08  4.3
O2    .1152 .1791 .3284 .92  2.9
O2M    .113  .314  .316 .08  4.3
O3    .2264 .2563 .2338      5.8
O4    .0991     0 .5440 .92  3.4
O4M    .083   1/2  .528 .08  4.3
O5    .1669   1/2 .3461 .92  3.4
O5M    .171     0  .356 .08  4.3
O6    .3107     0 .1769 .92  3.3
O6M    .326   1/2  .199 .08  4.3
O7      1/4   1/4     0      6.3
O8      1/4   1/4   1/2      6.2
O9    .0102     0 .7079 .92  1.9
O9M    .004   1/2  .611 .08  4.3
Wat1  .4908     0 .2565 .92  6.3
Wat2  .0835     0 .0336 .54  5.0
Wat3  .0689 .1334 .0217 .23  8.1
Wat4  .0743 .6055 .0262 .26  5.6
Wat5  .0919   1/2 .0324 .48  7.1
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Natrolite
Download hom/natrolite.pdf
Alberti A, Cruciani G, Dauru I
 
European Journal of Mineralogy 7 (1995) 501-508
Order-disorder in natrolite-group minerals
_database_code_amcsd 0006590
18.347 18.561 6.587 90 90 90 Fdd2
atom     x     y     z  occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na   .2208 .0301 .6209      1.22  .0162  .0166  .0207 -.0021 -.0027 -.0023
Si1      0     0     0 .765  .61  .0088  .0089  .0055      0      0      0
Al1      0     0     0 .235  .61  .0088  .0089  .0055      0      0      0
Si2  .1542 .2113 .6251 .815  .52  .0060  .0078  .0070 -.0005  .0000 -.0006
Al2  .1542 .2113 .6251 .185  .52  .0060  .0078  .0070 -.0005  .0000 -.0006
Al   .0378 .0940 .6179 .661  .54  .0084  .0063  .0071 -.0003 -.0004 -.0006
Si   .0378 .0940 .6179 .339  .54  .0084  .0063  .0071 -.0003 -.0004 -.0006
O1   .0229 .0693 .8640      1.28   .026   .012   .013  -.002   .001  -.000
O2   .0704 .1804 .6169       .79   .009   .009   .013  -.001  -.001   .000
O3   .0981 .0362 .5062      1.13   .012   .012   .018   .002   .001  -.004
O4   .2088 .1529 .7306      1.12   .014   .012   .015   .001  -.003   .001
O5   .1797 .2274 .3920      1.37   .014   .025   .012  -.002   .003   .000
OW   .0570 .1910 .1180      2.02   .025   .024   .025   .002  -.001  -.001
H1    .058  .156  .078       1.7
H2    .095  .190  .191        .7
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Barrerite
Download hom/barrerite.pdf
Meneghinello E, Alberti A, Cruciani G, Sacerdoti M, McIntyre G,
Ciambelli P, Rapascciuolo M T
 
European Journal of Mineralogy 12 (2000) 1123-1129
Single crystal neutron diffraction study of the natural zeolite barrerite
in its ND4-exchanged form
_database_code_amcsd 0006847
13.601 18.232 17.810 90 90 90 Fmmm
atom      x     y     z    occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
SiT1  .3856 .3077 .3761  .7915        .027   .036   .040      0  -.002  -.002
AlT1  .3856 .3077 .3761  .2085        .027   .036   .040      0  -.002  -.002
SiT3  .3010 .4107    .5  .7915        .028   .035   .040  -.003      0      0
AlT3  .3010 .4107    .5  .2085        .028   .035   .040  -.003      0      0
SiT4  .3882 .1840    .5  .7915        .024   .037   .036   .006      0      0
AlT4  .3882 .1840    .5  .2085        .024   .037   .036   .006      0      0
SiT5    .25   .25   .25  .7915        .020   .057   .029      0      0      0
AlT5    .25   .25   .25  .2085        .020   .057   .029      0      0      0
O1    .3176 .3042 .3013               .046   .063   .055  -.011  -.015   .017
O3    .3720 .2318 .4256               .041   .063   .058  -.009  -.008   .021
O4    .3563 .3799 .4247               .064   .059   .070  -.009   .024  -.020
O7       .5 .3162 .3489               .032   .058   .061      0      0  -.003
O8    .3153 .1138    .5               .033   .043   .075  -.005      0      0
O9    .3093    .5    .5               .047   .037   .075      0      0      0
O10      .5 .1506    .5               .023   .056   .054      0      0      0
Wat1   .461  .122  .306    .21 .062
Wat2     .5  .130  .307    .25 .036
Wat3   .474     0  .431    .34  .14
Wat4   .405     0  .386    .26  .11
Wat6   .389     0  .319    .19  .07
Wat8     .5    .5  .372               .058   .049    .13      0      0      0
Wat11  .398  .094  .316    .15  .08
NaC1     .5     0  .291 .10625  .03
KC1      .5     0  .291    .03  .03
MgC1     .5     0  .291  .0475  .03
CaC1     .5     0  .291  .1625  .03
BaC1     .5     0  .291  .0025  .03
NH4C2  .291  .058  .292 .00875  .13
ND42     .5  .090  .273    .12  .19
ND43   .337  .028  .234    .11  .12
ND44   .338  .068  .331    .15  .09
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Stellerite
Download hom/stellerite.pdf
Alberti A, Rinaldi R, Vezzalini G
 
Physics and Chemistry of Minerals 2 (1978) 365-375
Dynamics of dehydration in stilbite-type structures; stellerite phase B
Sample: Stellerite phase B
_database_code_amcsd 0007338
13.62 17.16 16.68 90 90 90 Amma
atom       x     y     z    occ  Uiso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
SiT1   .1344 .3541 .1373   .779        .0015  .0050  .0035 -.0009  .0001 -.0004
AlT1   .1344 .3541 .1373   .221        .0015  .0050  .0035 -.0009  .0001 -.0004
SiT1P  .1390 .2690 .3833  .7011        .0011  .0020  .0024  .0001 -.0002 -.0001
AlT1P  .1390 .2690 .3833  .1989        .0011  .0020  .0024  .0001 -.0002 -.0001
SiT3   .0513 .4109 .3045   .779        .0020  .0023  .0039 -.0006 -.0002  .0002
AlT3   .0513 .4109 .3045   .221        .0020  .0023  .0039 -.0006 -.0002  .0002
SiT4   .1394 .1861 .2188  .7011        .0011  .0021  .0024 -.0002  .0001 -.0008
AlT4   .1394 .1861 .2188  .1989        .0011  .0021  .0024 -.0002  .0001 -.0008
SiT5       0 .3222     0   .779        .0018  .0023  .0031      0  .0004      0
AlT5       0 .3222     0   .221        .0018  .0023  .0031      0  .0004      0
SiT1PD  .141  .302  .434  .0779 .0007
AlT1PD  .141  .302  .434  .0221 .0007
SiT4D   .149  .168  .174  .0779 .0002
AlT4D   .149  .168  .174  .0221 .0002
O1     .0637 .3769 .0649               .0058  .0045  .0035      0 -.0033 -.0006
O1P    .0741 .2343 .4579               .0082  .0073  .0031 -.0028  .0012  .0012
O3     .1284 .2569 .1525               .0054  .0037  .0041  .0009  .0005  .0005
O3P    .1226 .2156 .3063     .9        .0063  .0037  .0028  .0024  .0005 -.0015
O4     .1080 .4006 .2173               .0058  .0037  .0029 -.0011  .0003 -.0017
O4P    .1030 .3567 .3693               .0064  .0044  .0082  .0028 -.0019  .0036
O7       .25 .3829 .1119               .0076  .0065  .0043      0      0 -.0034
O7P      .25 .2675 .4149               .0009  .0085  .0071      0      0  .0014
O8     .0678 .1194 .1998               .0026  .0046  .0086 -.0006 -.0009  .0009
O9     .0519    .5 .3311               .0088  .0016  .0080      0      0      0
O10      .25 .1552 .2063               .0001  .0062  .0094      0      0 -.0037
OH1     .150  .130  .010    .10 .0005
OH2     .160  .130  .080    .10 .0005
CaC1     .25  .252  .050 .26908 .0007
NaC1     .25  .252  .050 .03658 .0007
KC1      .25  .252  .050 .00279 .0007
MgC1     .25  .252  .050 .00155 .0007
CaC2    .216     0  .188  .0868 .0008
NaC2    .216     0  .188  .0118 .0008
KC2     .216     0  .188  .0009 .0008
MgC2    .216     0  .188  .0005 .0008
CaC3       0     0    .5  .1302 .0011
NaC3       0     0    .5  .0177 .0011
KC3        0     0    .5 .00135 .0011
MgC3       0     0    .5 .00075 .0011
CaC4     .25    .5  .211 .54684 .0005
NaC4     .25    .5  .211 .07434 .0005
KC4      .25    .5  .211 .00567 .0005
MgC4     .25    .5  .211 .00315 .0005
Wat1     .25     0  .355    .24 .0003
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Brewsterite-Sr
Download hom/brewsteritesr.pdf
Alberti A, Sacerdoti M, Quartieri S, Vezzalini G
 
Physics and Chemistry of Minerals 26 (1999) 181-186
Heating-induced phase transformation in zeolite brewsterite:
new 4- and 5-coordinated (Si,Al) sites
Sample: BR280R
_database_code_amcsd 0008168
6.676 16.547 7.543 90 94.41 90 P2_1/m
atom      x     y     z  occ Uiso
Sr1    .570   1/4  .066 .338 .127
Sr2    .067   1/4  .568 .236 .098
Sr3    .833  .132  .083 .118  .27
Sr4    .055   1/4  .398 .160  .29
Sr5    .716   1/4 -.054 .064  .10
SiT1   .318 .0856  .829  .69 .055
AlT11  .231  .160  .847  .31 .055
SiT2   .407 .0650  .195  .80 .074
AlT21  .227  .375  .207  .20 .074
SiT3   .567 .1602  .540  .75 .074
AlT3   .567 .1602  .540  .25 .074
SiT4   .912 .0427  .652  .75 .066
AlT4   .912 .0427  .652  .25 .066
O1     .347  .118  .014       .12
O2     .473  .139  .341       .15
O3     .769  .115  .591       .17
O4     .414  .145  .697       .13
O5     .078  .085  .773       .15
O6     .199  .019  .236       .13
O7     .396  .996  .811  .80  .09
Wat71  .103   1/4  .785  .91  .17
Wat72  .231   1/4  .186  .67  .06
O73   -.032  .154  .219  .20  .16
O8        0     0   1/2       .09
O9     .633   1/4  .525       .11
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pumpellyite-(Mg)
Download hom/pumpellyitemg.pdf
Galli E, Alberti A
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=25&spage=2276
Acta Crystallographica B25 (1969) 2276-2281
On the crystal structure of pumpellyite
_database_code_amcsd 0009365
8.83 5.9 19.17 90 97.12 90 A2/m
atom     x     y     z occ Biso
Al      .5   .25   .25 .50  .57
Mg      .5   .25   .25 .35  .57
Fe      .5   .25   .25 .15  .57
Ca1  .2502    .5 .3395 .95  .35
Mg1  .2502    .5 .3395 .05  .35
Ca2  .1895    .5 .1550 .95  .95
Mg2  .1895    .5 .1550 .05  .95
Si1  .0484     0 .0907 .93  .33
Al1  .0484     0 .0907 .07  .33
Si2  .1674     0 .2482 .93  .38
Al2  .1674     0 .2482 .07  .38
Si3  .4661     0 .4021 .93  .11
Al3  .4661     0 .4021 .07  .11
Al   .2541 .2454 .4964      .08
O1   .1360 .2218 .0685      .56
O2   .2674 .2318 .2444      .86
O3   .3684  .222 .4209      .58
O4   .1304    .5 .4448      .27
OH5  .1283     0 .4558      .38
O6   .3695    .5 .0445      .37
OH7  .3665     0 .0338      .07
O8   .0376     0 .1779      .31
O9   .4746    .5 .1764      .40
O10  .0667     0 .3152      .40
OH11 .4992    .5 .3129      .24
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Rinkite
Download hom/rinkite.pdf
Galli E, Alberti A
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=27&spage=1277
Acta Crystallographica B27 (1971) 1277-1284
The crystal structure of rinkite
Locality: Kangerdluarsuk, Greenland
_database_code_amcsd 0009396
7.437 5.664 18.8430 90 101.38 90 P2_1/c
atom     x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ti       0     0     0 .515  .0027  .0286  .0013 -.0023  .0006  -.004
Nb       0     0     0 .327  .0027  .0286  .0013 -.0023  .0006  -.004
Al       0     0     0 .089  .0027  .0286  .0013 -.0023  .0006  -.004
Zr       0     0     0 .069  .0027  .0286  .0013 -.0023  .0006  -.004
Na      .5     0     0  .66  .0099  .0162  .0004  .0002  .0001 -.0006
Ca      .5     0     0  .19  .0099  .0162  .0004  .0002  .0001 -.0006
K1      .5     0     0  .02  .0099  .0162  .0004  .0002  .0001 -.0006
Na2  .7500 .5012 .0004 .759  .0086  .0097  .0021  .0006  .0010  .0016
Ca2  .7500 .5012 .0004 .219  .0086  .0097  .0021  .0006  .0010  .0016
K2   .7500 .5012 .0004 .022  .0086  .0097  .0021  .0006  .0010  .0016
Ca3  .0938 .6605 .1918 .685  .0038  .0113  .0010  .0000  .0003  .0004
Ce3  .0938 .6605 .1918 .262  .0038  .0113  .0010  .0000  .0003  .0004
Fe3  .0938 .6605 .1918 .053  .0038  .0113  .0010  .0000  .0003  .0004
Ca4  .5969 .6630 .1902 .685  .0054  .0190  .0011  .0003  .0005  .0003
Ce4  .5969 .6630 .1902 .262  .0054  .0190  .0011  .0003  .0005  .0003
Fe4  .5969 .6630 .1902 .053  .0054  .0190  .0011  .0003  .0005  .0003
Si1  .3515 .1541 .1403       .0039  .0132  .0006 -.0003  .0001 -.0001
Si2  .7831 .1530 .1379       .0041  .0109  .0006 -.0007  .0003  .0001
O1   .2172 .1488 .0609       .0093  .0122  .0011 -.0019 -.0008  .0001
O2   .8306 .1410 .0578       .0088  .0289  .0008  .0015  .0007  .0009
O3   .3379 .3971 .1849       .0086  .0160  .0021  .0005  .0015 -.0015
O4   .8436 .3949 .1797       .0089  .0125  .0022 -.0016  .0013 -.0022
O5   .3355 .9311 .1918       .0087  .0139  .0011  .0014  .0007  .0003
O6   .8559 .9365 .1903       .0087  .0116  .0012  .0006  .0003  .0005
O7   .5581 .1413 .1206        .007  .0324  .0015  .0002  .0007 -.0014
O8   .0308 .7052 .0617  .25  .0115  .0296  .0014 -.0041  .0006  .0000
F8   .0308 .7052 .0617  .75  .0115  .0296  .0014  .0041  .0006  .0000
O9   .5303 .6546 .0642  .25  .0156  .0155  .0014  .0017  .0008  .0003
F9   .5303 .6546 .0642  .75  .0156  .0155  .0014  .0017  .0008  .0003
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ferrisicklerite
Download hom/ferrisicklerite.pdf
Alberti A
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=32&spage=2761
Acta Crystallographica B32 (1976) 2761-2764
Crystal structure of ferrisicklerite, Li<1(Fe3+,Mn2+)PO4
Locality: Sidi-Bou-Othmane, Jebilet, Morocco
_database_code_amcsd 0009574
5.918 10.037 4.798 90 90 90 Pmnb
atom        x      y       z   occ  Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3)  B(2,3)
LiM1        0      0       0  .301   2.0
NaM1        0      0       0 .0135   2.0
Fe3+M2    .25 .27815 -.03639  .607   .63  .0047  .0016  .0085      0      0  -.0006
MnM2      .25 .27815 -.03639  .333   .63  .0047  .0016  .0085      0      0  -.0006
MgM2      .25 .27815 -.03639  .036   .63  .0047  .0016  .0085      0      0  -.0006
CaM2      .25 .27815 -.03639  .017   .63  .0047  .0016  .0085      0      0  -.0006
Fe2+M2    .25 .27815 -.03639  .007   .63  .0047  .0016  .0085      0      0  -.0006
P         .25 .09593  .41110  .965   .54  .0045  .0012  .0070      0      0  -.0001
O1        .25 .11485 -.27659        1.22  .0090  .0036  .0088      0      0  -.0005
O2        .25 .44926  .17125        1.19  .0081  .0018  .0183      0      0   .0010
O3     .04701 .16877  .26785        1.17  .0076  .0030  .0122  .0011 -.0014   .0004
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Amicite
Download hom/amicite.pdf
Alberti A, Vezzalini G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=35&spage=2866
Acta Crystallographica B35 (1979) 2866-2869
The crystal structure of amicite, a zeolite
Locality: basaltic rock at Howenegg in Hegau, southern West Germany
_database_code_amcsd 0009695
10.226 10.422 9.884 90 88.19 90 I2
atom      x      y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
K     .3071 -.0040 .9692     2.09  .0060  .0046  .0046  .0017 -.0009 -.0010
Na    .4312  .2559 .6716     2.53  .0050  .0076  .0056  .0027 -.0006 -.0017
Al1   .1546  .2491 .1546     0.43  .0009  .0011  .0011  .0000  .0000  .0002
Al2   .1582  .0027 .6512     0.44  .0012  .0009  .0011  .0002  .0000 -.0002
Si1   .1523 -.0133 .3261     0.46  .0012  .0010  .0011  .0004  .0001  .0001
Si2   .1534  .2615 .8263     0.40  .0010  .0009  .0010  .0001  .0000  .0001
O1    .0010 -.0471 .3037     1.21  .0014  .0033  .0041 -.0002 -.0001 -.0006
O2   -.0030  .2956 .2047     1.14  .0016  .0037  .0030  .0004  .0001 -.0006
O3    .2031  .1401 .7354     0.96  .0028  .0020  .0022  .0003 -.0003 -.0006
O4    .1810  .0304 .4785     1.18  .0041  .0027  .0017 -.0005 -.0001  .0004
O5    .1712  .2264 .9833     1.13  .0036  .0028  .0016 -.0001  .0000  .0005
O6    .1989  .1018 .2263     1.00  .0034  .0011  .0028  .0005  .0002  .0006
O7    .2620  .3610 .2184     1.09  .0031  .0017  .0031 -.0007 -.0003  .0002
O8    .7558  .3812 .2177     0.73  .0020  .0015  .0018  .0008 -.0004 -.0002
Wat1  .3435  .2507 .4539     2.65  .0064  .0074  .0054 -.0022 -.0020  .0010
Wat2  .4779  .0682 .2179     2.76  .0044  .0054  .0103 -.0002  .0017  .0004
Wat3      0  .3191    .5     2.70  .0069  .0058  .0070      0 -.0015      0
Wat4     .5  .4729    .5 .53 2.35  .0084  .0041  .0046      0 -.0018      0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ferrierite-Mg
 
Alberti A, Sabelli C
Download zk/vol178/ZK178_249.pdf
Zeitschrift fur Kristallographie 178 (1987) 249-256
Statistical and true symmetry of ferrierite:
possible absence of straight T-O-T bridging bonds
Locality: Monastir, Sardinia, Italy
_database_code_amcsd 0010964
19.2310 14.145 7.499 90 90 90 Immm
atom     x     y     z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K    .4254     0     0 .41  5.8   .060   .057   .102      0      0      0
Mg       0     0    .5      2.8   .035   .053   .019      0      0      0
Si1  .1550     0     0 .88  1.3   .024   .014   .013      0      0      0
Al1  .1550     0     0 .12  1.3   .024   .014   .013      0      0      0
Si2  .0838 .2023     0 .69  1.1   .020   .013   .009  -.002      0      0
Al2  .0838 .2023     0 .31  1.1   .020   .013   .009  -.002      0      0
Si3  .2715     0 .2922 .88  1.6   .030   .019   .013      0  -.001      0
Al3  .2715     0 .2922 .12  1.6   .030   .019   .013      0  -.001      0
Si4  .3231 .2026 .2069 .96  1.2   .023   .017   .005   .000  -.001  -.001
Al4  .3231 .2026 .2069 .04  1.2   .023   .017   .005   .000  -.001  -.001
O1       0 .2158     0      2.6   .022   .037   .039      0      0      0
O2   .2495     0    .5      2.9   .068   .034   .008      0      0      0
O3   .1029 .0892     0      4.0   .044   .030   .078   .010      0      0
O4   .2019     0 .1777      4.8   .045   .098   .037      0  -.021      0
O5     .25   .25   .25      4.0   .046   .051   .055   .021   .001  -.004
O6   .1564 .2813    .5      3.2   .063   .058   .000  -.015      0      0
O7   .1151 .2505 .1822      3.0   .042   .071   .025  -.009  -.011  -.028
O8   .3209 .0912 .2470      3.5   .062   .024   .051   .000   .012  -.013
Wat1     0     0 .2351      3.4   .039   .071   .020      0      0      0
Wat2 .0982 .0668    .5  .5  5.1   .040   .131   .022  -.031      0      0
Wat3 .0458 .1329    .5  .5 10.5   .210   .137   .050  -.141      0      0
Wat4     0 .4212 .2071  .5 25.5   .180   .320   .469      0      0  -.275
Wat5     0 .6568 .3670  .5 16.6   .030   .309   .291      0      0   .201
Wat6 .0538    .5 .2564 .39  5.8   .036   .067   .117      0  -.019      0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tschernichite
Download hom/tschernichite.pdf
Alberti A, Cruciani G, Galli E, Merlino S, Millini R, Quartieri S, Vezzalini G, Zanardi S
 
Journal of Physical Chemistry B106 (2002) 10277-10284
Crystal structure of tetragonal and monoclinic polytypes of tschernichite,
the natural counterpart of synthetic zeolite beta
Locality: Mt. Adamson, Northern Victoria Land, Antarctica
Sample: large crystal, monoclinic
_database_code_amcsd 0013153
17.983 17.966 14.625 90 114.31 90 C2/c
atom      x     y     z  occ Uiso
Na1   .1438 .3576 .0005  .09 .039
K1    .1438 .3576 .0005 .023 .039
Mg1   .1438 .3576 .0005 .023 .039
Ca1   .1438 .3576 .0005  .44 .039
Ca2    .305  .521 -.004 .073  .03
Ca3    .474  .696  .004 .079  .03
Si1   .1708 .8334 .8880  .68 .014
Al1   .1708 .8334 .8880  .32 .014
Si2   .2070 .5437 .1145  .79 .017
Al2   .2070 .5437 .1145  .21 .017
Si3   .1924 .4185 .2512  .73 .016
Al3   .1924 .4185 .2512  .27 .016
Si4   .3940 .0186 .6136  .68 .018
Al4   .3940 .0186 .6136  .32 .018
Si5   .5201 .1450 .6140  .73 .018
Al5   .5201 .1450 .6140  .27 .018
Si6      .5 .2743   .75  .78 .014
Al6      .5 .2743   .75  .22 .014
Si7   .2971 .2926 .3892  .75 .014
Al7   .2971 .2926 .3892  .25 .014
Si8   .4193 .1693 .3862  .74 .016
Al8   .4193 .1693 .3862  .26 .016
Si9      .5 .1116   .25  .69 .016
Al9      .5 .1116   .25  .31 .016
O1    .2077 .9163 .8753      .032
O2    .5784 .3306 .8014      .034
O3    .2246 .7652 .8738      .033
O4    .6681 .3329 .9996      .027
O5    .2337 .4827 .2040      .032
O6    .1451 .6024 .1324      .039
O7    .1650 .5016 .0076      .026
O8    .1672 .4554 .3359      .039
O9    .2655 .3563 .3029      .041
O10   .1153 .3825 .1592      .037
O11   .4629 .0805 .6252      .047
O12   .0637 .5621 .3419      .045
O13   .5106 .2245 .6639      .041
O14   .4987 .1623 .4944      .018
O15   .3748 .2513 .3779      .032
O16   .4506 .1689 .2959      .030
Wat1   .156  .224 -.114  .58  .12
Wat2   .118  .254 -.111  .45  .09
Wat3   .286  .347  .117  .41  .07
Wat4   .242  .378 -.108  .62  .11
Wat5   .396  .427  .126  .17  .18
Wat6   .478  .641 -.165  .26  .09
Wat7   .013  .140  .025  .56  .14
Wat8   .011  .021 -.019  .40  .04
Wat9   .145  .011  .007  .61  .14
Wat10  .091  .011  .194  .58  .14
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tschernichite
Download hom/tschernichite.pdf
Alberti A, Cruciani G, Galli E, Merlino S, Millini R, Quartieri S, Vezzalini G, Zanardi S
 
Journal of Physical Chemistry B106 (2002) 10277-10284
Crystal structure of tetragonal and monoclinic polytypes of tschernichite,
the natural counterpart of synthetic zeolite beta
Locality: Mt. Adamson, Northern Victoria Land, Antarctica
Sample: small crystal, tetragonal
Note: Mg position adjusted to match reported bond lengths
_database_code_amcsd 0013154
12.634 12.634 26.608 90 90 90 P4_122
atom      x      y     z occ Uiso
Na    -.291  -.300  .123 .04  .04
Mg    -.291  -.300  .123 .04  .04
K1        0  -.123     0 .04  .11
Ca1       0  -.123     0 .32  .11
K2        0   .449     0 .03  .05
Ca2       0   .449     0 .25  .05
K3      -.5  -.318     0 .04  .10
Ca3     -.5  -.318     0 .32  .10
Si1   .4579  .2945 .0562 .70 .020
Al1   .4579  .2945 .0562 .30 .020
Si2   .4573  .0422 .0541 .90 .018
Al2   .4573  .0422 .0541 .10 .018
Si3   .2111  .2935 .0565 .85 .016
Al3   .2111  .2935 .0565 .15 .016
Si4   .2113  .0419 .0575 .83 .017
Al4   .2113  .0419 .0575 .17 .017
Si5   .8360  .2938 .0566 .99 .019
Al5   .8360  .2938 .0566 .01 .019
Si6   .8355  .0411 .0577 .76 .018
Al6   .8355  .0411 .0577 .24 .018
Si7   .0271  .3583 .1251 .78 .021
Al7   .0271  .3583 .1251 .22 .021
Si8   .0262 -.0262  .125 .71 .016
Al8   .0262 -.0262  .125 .29 .016
Si9   .6403  .3597  .125 .93 .019
Al9   .6403  .3597  .125 .07 .019
O1       .5  .3395     0     .023
O2    .4691  .1639 .0608     .035
O3    .3363  .3310 .0631     .039
O4    .5267  .3542 .0994     .037
O5       .5   .080     0     .030
O6    .3340  .0018 .0626     .037
O7    .5227 -.0180 .0993     .033
O8    .2017  .1679 .0661     .047
O9    .1643  .3224 .0018     .028
O10   .1468  .3539 .1004     .036
O11   .1641  .0056 .0024     .039
O12   .1458 -.0208 .0998     .033
O13   .8348  .1696 .0639     .050
O14   .9374  .3480 .0809     .036
O15   .7298  .3481 .0828     .057
O16   .7296 -.0163 .0822     .035
O17   .9412 -.0094 .0789     .050
Wat1  -.186  -.229  .057 .55  .09
Wat2  -.167  -.416  .056 .93  .22
Wat3      0   .546     0 .38  .10
Wat4  -.359  -.206  .005 .86  .19
Wat6  -.463  -.323  .090 .67  .18
Wat7  -.361  -.478  .006 .31  .11
Wat10 -.155  -.346 -.002 .30  .06
Wat11 -.334  -.334 -.125 .34  .08
Wat13     0  -.203     0 .38  .05
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Clinoptilolite-Ca
 
Alberti A
 
Tschermaks Mineralogische und Petrographische Mitteilungen 22 (1975) 25-37
The crystal structure of two clinoptilolites
Locality: Agoura, California, USA
_database_code_amcsd 0015651
17.646 17.898 7.397 90 116.37 90 C2/m
atom     x     y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca1  .1418     0 .6673 .34       .0088  .0027  .0304      0  .0050      0
Ca2  .0382    .5 .2088 .34       .0011  .0021  .0153      0 -.0007      0
Ca3      0     0     0 .22 20.5
Si1  .1795 .1692 .0956           .0009  .0011  .0050  .0000  .0011  .0001
Al2  .2117 .4103 .5034 .30       .0012  .0008  .0062  .0001  .0013  .0001
Si2  .2117 .4103 .5034 .70       .0012  .0008  .0062  .0001  .0013  .0001
Si3  .2091 .1903 .7153           .0011  .0010  .0045  .0001  .0011  .0001
Si4  .0659 .2975 .4135           .0009  .0011  .0049  .0000  .0011 -.0001
Si5      0 .2146     0           .0010  .0012  .0047      0  .0009      0
O1   .1945    .5 .4554           .0032  .0011  .0103      0  .0025      0
O2   .2346 .1220 .6132           .0030  .0019  .0155  .0000  .0044 -.0016
O3   .1853 .1546 .8845           .0037  .0022  .0120 -.0003  .0047  .0001
O4   .2355 .1056 .2528           .0024  .0018  .0102  .0007  .0014  .0009
O5       0 .3218    .5           .0033  .0028  .0191      0  .0063      0
O6   .0809 .1604 .0567           .0016  .0015  .0156  .0001  .0025  .0002
O7   .1277 .2326 .5461           .0025  .0028  .0142  .0009  .0005  .0016
O8   .0123 .2682 .1859           .0026  .0028  .0097  .0001  .0014 -.0021
O9   .2126 .2518 .1842           .0021  .0020  .0155 -.0007  .0028 -.0015
O10  .1176 .3709 .4129           .0023  .0016  .0187 -.0006  .0031  .0001
Wat1 .2332    .5 .0333      3.4
Wat2 .0865     0 .8133 .49 15.7
Wat3 .0792 .4175 .9622 .91  8.1
Wat4     0    .5    .5      7.7
Wat5 .0226 .0897 .4655 .48 20.9
Wat6 .0794     0 .2570 .68 16.4
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Clinoptilolite-Na
Download hom/clinoptilolitena.pdf
Alberti A
 
Tschermaks Mineralogische und Petrographische Mitteilungen 22 (1975) 25-37
The crystal structure of two clinoptilolites
Locality: Alpe di Siusi, Italy
_database_code_amcsd 0015652
17.6410 18.0310 7.402 90 116.43 90 C2/m
atom     x     y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Na1  .1475     0 .6648 .54       .0085  .0027  .0224      0  .0048      0
Na2  .0400    .5 .2215 .44       .0011  .0021  .0226      0 -.0026      0
Na3      0     0     0 .10 28.6
Si1  .1789 .1711 .0961           .0006  .0013  .0048  .0001  .0009  .0003
Si2  .2143 .4102 .5039 .60       .0010  .0009  .0063  .0000  .0011  .0001
Al2  .2143 .4102 .5039 .40       .0010  .0009  .0063  .0000  .0011  .0001
Si3  .2076 .1912 .7144           .0009  .0011  .0046  .0001  .0010  .0001
Si4  .0656 .3002 .4130           .0007  .0012  .0046  .0000  .0008 -.0004
Si5      0 .2170     0           .0007  .0012  .0047      0  .0007      0
O1   .2001    .5 .4622           .0028  .0016  .0109      0  .0018      0
O2   .2307 .1219 .6131           .0022  .0021  .0144 -.0002  .0038 -.0018
O3   .1836 .1568 .8858           .0037  .0020  .0093 -.0003  .0047 -.0002
O4   .2342 .1081 .2495           .0022  .0015  .0108  .0005  .0019  .0015
O5       0 .3259    .5           .0027  .0021  .0162      0  .0053      0
O6   .0808 .1627 .0586           .0009  .0015  .0147  .0002  .0018  .0002
O7   .1275 .2349 .5485           .0022  .0026  .0160  .0010  .0009  .0024
O8   .0115 .2699 .1851           .0025  .0027  .0099  .0001  .0016 -.0021
O9   .2120 .2523 .1836           .0016  .0018  .0143 -.0006  .0018 -.0009
O10  .1172 .3723 .4067           .0021  .0015  .0150 -.0003  .0027 -.0004
Wat1 .2350    .5 .0293      3.1
Wat2 .0826     0 .8341 .61 20.3
Wat3 .0786 .4165 .9686      9.1
Wat4     0    .5    .5      6.9
Wat5 .0155 .0962 .4572 .52 21.2
Wat6 .0833     0 .2558 .63  9.8
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Levyne-Ca
Download hom/levyneca.pdf
Merlino S, Galli E, Alberti A
 
Tschermaks Mineralogische und Petrographische Mitteilungen 22 (1975) 117-129
The crystal structure of levyne
Note: a zeolite mineral
Locality: small cavity in andesite from Nurri, Nuoro, Sardinia
_database_code_amcsd 0015653
13.338 13.338 23.0140 90 90 120 R-3m
atom     x      y      z   occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca1      0      0  .1389             .0056  .0056  .0021  .0028      0      0
Ca2      0      0  .2782 .1288  3.4
Na       0      0  .2782 .1148  3.4
K1       0      0  .2782 .0364  3.4
Ca3      0      0  .4095 .1242  9.4
Na2      0      0  .4095 .1107  9.4
K2       0      0  .4095 .0351  9.4
Ca4      0      0  .4498  .069   .7
Na3      0      0  .4498 .0615   .7
K3       0      0  .4498 .0195   .7
Ca5      0      0     .5  .115   .7
Na4      0      0     .5 .1025   .7
K4       0      0     .5 .0325   .7
Si   .0001  .2322  .0697   .65       .0008   .001  .0014  .0001      0      0
Al1  .0001  .2322  .0697   .35       .0008   .001  .0014  .0001      0      0
Si2  .2396      0     .5   .65       .0007  .0008  .0015  .0004      0      0
Al2  .2396      0     .5   .35       .0007  .0008  .0015  .0004      0      0
O1   .0339  .3493  .1079             .0062   .003  .0013  .0016 -.0006 -.0010
O2   .0920 -.0920  .0827             .0033  .0033  .0023  .0009  .0002 -.0002
O3   .1275 -.1275 -.0910             .0026  .0026  .0029 -.0007  .0005 -.0005
O4   .2643      0      0             .0054  .0048  .0028  .0024  .0001  .0002
O5   .2219 -.2219  .1793             .0024  .0024  .0025 -.0003  .0004 -.0004
Wat1 .2567 -.2567 -.1241        4.8
Wat2 .1222 -.1222  .2852   .73  8.0
Wat3 .2547 -.2547  .0187   .54  6.5
Wat4 .5429 -.5429 -.0445   .27  5.7
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Chabazite-Ca
Download hom/chabaziteca.pdf
Alberti A, Galli E, Vezzalini G, Passaglia E, Zanazzi P F
 
Zeolites 2 (1982) 303-309
Position of cations and water molecules in hydrated chabazite.
Natural and Na-, Ca-, Sr- and K-exchanged chabazites
Locality: Keller, Nidda, Germany
Note: Natural chabazite
_database_code_amcsd 0017686
9.428 9.428 9.428 94.14 94.14 94.14 R-3m
atom     x      y     z occ  Biso
K1       0      0     0 .01  4.80
Mg1      0      0     0 .02  4.80
Ca1      0      0     0  .1  4.80
Sr1      0      0     0 .02  4.80
K2   .1965  .1965 .1965 .03   2.0
Mg2  .1965  .1965 .1965 .08   2.0
Ca2  .1965  .1965 .1965 .29   2.0
Sr2  .1965  .1965 .1965 .06   2.0
K3    .406   .406  .406 .02   3.9
Mg3   .406   .406  .406 .05   3.9
Ca3   .406   .406  .406 .19   3.9
Sr3   .406   .406  .406 .04   3.9
K4    .579   .579  .233 .01   4.3
Mg4   .579   .579  .233 .02   4.3
Ca4   .579   .579  .233 .09   4.3
Sr4   .579   .579  .233 .02   4.3
Al1  .1035  .3338 .8741 .32   .82
Si1  .1035  .3338 .8741 .68   .82
O1   .2651 -.2651     0      2.64
O2   .1536 -.1536    .5      1.72
O3   .2494  .2494 .8947      2.68
O4   .0214  .0214 .3234      2.53
Wat1    .5     .5     0      10.9
Wat2  .256   .256  .509 .54 11.40
Wat3  .199   .357  .507 .33  13.0
Wat4  .367  -.367    .5 .29 11.80
Wat5  .585   .585  .316 .26  10.5
Wat6  .248   .248  .248 .77   5.3
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Chabazite-Na
 
Alberti A, Galli E, Vezzalini G, Passaglia E, Zanazzi P F
 
Zeolites 2 (1982) 303-309
Position of cations and water molecules in hydrated chabazite.
Natural and Na-, Ca-, Sr- and K-exchanged chabazites
Locality: Keller, Nidda, Germany
Note: Na-exchanged
_database_code_amcsd 0017687
9.425 9.425 9.425 94.06 94.06 94.06 R-3m
atom     x      y     z occ  Biso
Na1  .2013  .2013 .2013 .62   3.7
Na2   .431   .431  .431 .21   3.2
Na3   .572   .572  .223 .17   6.5
Na4   .602   .504  .185 .04   3.1
Al1  .1032  .3311 .8763 .31  1.01
Si1  .1032  .3311 .8763 .69  1.01
O1   .2640 -.2640     0      2.45
O2   .1443 -.1443    .5      2.29
O3   .2546  .2546 .8873       2.5
O4   .0250  .0250 .3078      2.41
Wat1    .5     .5     0 .90   9.8
Wat2  .277   .277  .539 .17   6.6
Wat3  .197   .305  .469 .22   5.8
Wat4  .354  -.354    .5 .23  13.2
Wat5  .621   .621  .386 .15   4.5
Wat6  .253   .253  .253 .25   4.0
Wat7  .368   .368  .193 .09  6.60
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Chabazite-K
 
Alberti A, Galli E, Vezzalini G, Passaglia E, Zanazzi P F
 
Zeolites 2 (1982) 303-309
Position of cations and water molecules in hydrated chabazite.
Natural and Na-, Ca-, Sr- and K-exchanged chabazites
Locality: Keller, Nidda, Germany
Note: K-exchanged
_database_code_amcsd 0017688
9.442 9.442 9.442 94.29 94.29 94.29 R-3m
atom     x      y     z occ  Biso
Na1  .2249  .2249 .2249 .12   2.4
K1   .2249  .2249 .2249 .84   2.4
Na2   .388   .388  .388 .01  8.40
K2    .388   .388  .388 .07  8.40
Na3   .561   .561  .239 .01   9.4
K3    .561   .561  .239  .1   9.4
Na4   .529   .529  .107 .02   5.9
K4    .529   .529  .107  .1   5.9
Al1  .1040  .3332 .8755  .3   .84
Si1  .1040  .3332 .8755  .7   .84
O1   .2642 -.2642     0      2.59
O2   .1494 -.1494    .5      1.91
O3   .2497  .2497 .8919      2.12
O4   .0226  .0226 .3200      2.15
Wat1    .5     .5     0 .82  13.4
Wat2  .264   .264  .526 .33   4.6
Wat3  .196   .341  .518 .20   6.0
Wat4  .352  -.379  .432 .19 11.10
Wat5  .370   .370  .086 .15  9.60
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Chabazite-Ca
Download hom/chabaziteca.pdf
Alberti A, Galli E, Vezzalini G, Passaglia E, Zanazzi P F
 
Zeolites 2 (1982) 303-309
Position of cations and water molecules in hydrated chabazite.
Natural and Na-, Ca-, Sr- and K-exchanged chabazites
Locality: Keller, Nidda, Germany
Note: Ca-exchanged
_database_code_amcsd 0017689
9.401 9.401 9.401 94.39 94.39 94.39 R-3m
atom     x      y     z occ  Biso
Ca1      0      0     0 .10   4.5
Ca2   .193   .193  .193 .15   3.3
Ca3   .408   .408  .408 .17   2.8
Ca4   .579   .579  .231 .17   3.8
Al1  .1046  .3336 .8763  .3  1.09
Si1  .1046  .3336 .8763  .7  1.09
O1   .2611 -.2611     0      2.87
O2   .1533 -.1533    .5      2.23
O3   .2545  .2545 .8927      2.81
O4   .0268  .0268 .3262      2.91
Wat1    .5     .5     0 .97  10.6
Wat2  .237   .237  .519 .28  12.6
Wat3  .246   .342  .543 .23   9.8
Wat4  .365  -.365    .5 .09  5.20
Wat5  .584   .584  .334 .13  4.70
Wat6  .251   .251  .251 .60   4.9
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Chabazite-Sr
 
Alberti A, Galli E, Vezzalini G, Passaglia E, Zanazzi P F
 
Zeolites 2 (1982) 303-309
Position of cations and water molecules in hydrated chabazite.
Natural and Na-, Ca-, Sr- and K-exchanged chabazites
Locality: Keller, Nidda, Germany
Note: Sr-exchanged
_database_code_amcsd 0017690
9.416 9.416 9.416 93.87 93.87 93.87 R-3m
atom     x      y     z occ  Biso
Sr1      0      0     0 .11   4.4
Sr2  .1918  .1918 .1918 .31   2.8
Sr3  .4133  .4133 .4133 .35   3.1
Sr4   .571   .571  .270 .10   4.6
Al1  .1030  .3338 .8726  .3   .98
Si1  .1030  .3338 .8726  .7   .98
O1   .2662 -.2662     0      2.52
O2   .1541 -.1541    .5      1.93
O3   .2465  .2465 .8933      2.64
O4   .0196  .0196 .3253      2.13
Wat1    .5     .5     0 .60  10.7
Wat2  .238   .238  .496 .50   8.8
Wat3  .148   .382  .502 .26 12.60
Wat4  .354  -.354    .5 .23 12.30
Wat5  .237   .237  .237 .55   2.6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Gismondine
Download hom/gismondine.pdf
Vezzalini G, Quartieri S, Alberti A
 
Zeolites 13 (1993) 34-42
Structural modifications induced by dehydration in the zeolite gismondine
Locality: Montalto di Castro, Italy
Sample: dehydration t = 1 hr
_database_code_amcsd 0015868
9.989 10.616 9.820 90 92.57 90 *P2_1
0 0 .25
atom      x     y     z  Uiso
Ca    .7155 .0689 .3579  .022
CaP   .2837 .9337 .6407  .022
Al1   .0965 .1149 .1679 .0069
Al1f  .0965 .3851 .6679 .0069
Al2   .5873 .8645 .1468 .0064
Al2f  .5873 .6355 .6468 .0064
Si1   .4163 .1129 .1836 .0062
Si1f  .4163 .3871 .6836 .0062
Si2   .9073 .8717 .1616 .0058
Si2f  .9073 .6283 .6616 .0058
O1    .0810 .1576 .9972  .014
O1f   .0810 .3424 .4972  .014
O2    .2619 .0807 .2146  .013
O2f   .2619 .4193 .7146  .013
O3    .4400 .1478 .0253  .011
O3f   .4400 .3522 .5253  .011
O4    .2487 .4021 .3037  .013
O4f   .2487 .0979 .8037  .013
O5    .9969 .9883 .2135  .013
O5f   .9969 .5117 .7135  .013
O6    .0435 .2486 .2560  .009
O6f   .0435 .2514 .7560  .009
O7    .4704 .2258 .2788  .010
O7f   .4704 .2742 .7788  .010
O8    .5088 .9912 .2283  .010
O8f   .5088 .5088 .7283  .010
Wat1  .2556 .1184 .4997  .026
Wat1P .7480 .8992 .5069  .021
Wat2  .5931 .1196 .5541  .017
Wat2P .4034 .8553 .4582  .012
Wat3  .9011 .1370 .4995  .013
Wat3P .0846 .8948 .4948  .018
Wat4  .7743 .2537 .2557  .023
Wat7P .2286 .7763 .7834  .028
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Gismondine
Download hom/gismondine.pdf
Vezzalini G, Quartieri S, Alberti A
 
Zeolites 13 (1993) 34-42
Structural modifications induced by dehydration in the zeolite gismondine
Locality: Montalto di Castro, Italy
Sample: dehydration t = 24 hr
_database_code_amcsd 0015869
13.902 8.892 13.952 90 90 90 *P2_12_12_1
.25 .25 .25
atom     x     y     z Uiso
Ca1  .8233 .8366 .1344 .016
Ca2  .6105 .0773 .5755 .028
Al1  .7480 .7488 .9306 .014
Al2  .2456 .7602 .1389 .014
Al3  .4648 .1010 .1419 .011
Al4  .9646 .1181 .6465 .014
Si1  .8119 .9880 .4995 .010
Si2  .3810 .5056 .5019 .012
Si3  .9012 .1352 .2143 .011
Si4  .3985 .1474 .7174 .012
O1    .737  .081  .433 .021
O2    .240  .090  .923 .010
O3    .303  .637  .519 .006
O4    .829  .656  .005 .013
O5    .871  .860  .439 .009
O6    .380  .893  .948 .017
O7    .917  .966  .250 .008
O8    .425  .977  .749 .021
O9    .006  .714  .338 .008
O10   .495  .701  .821 .010
O11   .867  .742  .695 .012
O12   .351  .765  .207 .013
O13   .548  .984  .094 .008
O14   .070  .028  .603 .012
O15   .829  .116  .120 .015
O16   .307  .129  .646 .016
Wat1  .992  .611  .571 .029
Wat2  .496  .640  .072 .047
Wat3  .819  .604  .238 .030
Wat4  .691  .881  .246 .039
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Mutinaite
 
Vezzalini G, Quartieri S, Galli E, Alberti A, Cruciani G, Kvick A
 
Zeolites 19 (1997) 323-325
Crystal structure of the zeolite mutinaite, the natural analog of ZSM-5
Locality: Mt. Adamson, Northern Victoria Land, Antarctica
Note: reported occupancies do not match reported chemistry
_database_code_amcsd 0015873
20.201 19.991 13.469 90 90 90 Pnma
atom      x      y      z  occ Uiso
Si1   .4254  .0571  .6788 .883 .018
Al1   .4254  .0571  .6788 .117 .018
Si2   .3177  .0298  .8333 .883 .022
Al2   .3177  .0298  .8333 .117 .022
Si3   .2783  .0626  .0495 .883 .023
Al3   .2783  .0626  .0495 .117 .023
Si4   .1226  .0629  .0443 .883 .018
Al4   .1226  .0629  .0443 .117 .018
Si5   .0757  .0299  .8312 .883 .016
Al5   .0757  .0299  .8312 .117 .016
Si6   .1964  .0583  .6936 .883 .021
Al6   .1964  .0583  .6936 .117 .021
Si7   .4277  .8292  .6911 .883 .018
Al7   .4277  .8292  .6911 .117 .018
Si8   .3177  .8718  .8369 .883 .020
Al8   .3177  .8718  .8369 .117 .020
Si9   .2712  .8274  .0452 .883 .019
Al9   .2712  .8274  .0452 .117 .019
Si10  .1175  .8269  .0393 .883 .018
Al10  .1175  .8269  .0393 .117 .018
Si11  .0739  .8716  .8304 .883 .019
Al11  .0739  .8716  .8304 .117 .019
Si12  .1973  .8274  .7041 .883 .020
Al12  .1973  .8274  .7041 .117 .020
O1    .3865  .0561  .7848      .043
O2    .3176  .0617 -.0559      .044
O3    .2018  .0604  .0292      .054
O4    .0882  .0621 -.0641      .051
O5    .1266  .0597  .7506      .046
O6    .2560  .0572  .7697      .063
O7    .3850  .8438  .7906      .040
O8    .3146  .8435 -.0545      .052
O9    .1941  .8451  .0283      .034
O10   .0808  .8404 -.0629      .050
O11   .1273  .8400  .7553      .057
O12   .2553  .8489  .7716      .059
O13   .3182 -.0493   .838      .103
O14   .0837 -.0503  .8367      .057
O15   .4146  .1297  .6267      .046
O16   .4011 -.0006  .6084      .048
O17   .3992  .8669  .5960      .040
O18   .1986  .1303  .6354      .050
O19   .1985 -.0008  .6143      .059
O20   .1999  .8687  .6000      .052
O21   .0030  .0500  .7937      .035
O22   .0026  .8521  .7847      .035
O23   .4272    .75   .666      .048
O24   .2031    .75   .675      .061
O25   .2811    .75   .077      .041
O26   .1082    .75   .070      .031
Ca    .4840    .25   .923  .21 .023
CaX1   .458   .035   .091 .016 .072
NaX1   .458   .035   .091 .015 .072
WatX1  .458   .035   .091 .299 .072
CaX2   .070    .25   .459 .047 .082
NaX2   .070    .25   .459 .044 .082
WatX2  .070    .25   .459 .889 .082
CaX3   .457    .25   .113 .025 .051
NaX3   .457    .25   .113 .024 .051
WatX3  .457    .25   .113 .481 .051
CaX4   .191    .25   .010 .022 .111
NaX4   .191    .25   .010 .021 .111
WatX4  .191    .25   .010 .417 .111
CaX5   .047   .163   .648 .034 .176
NaX5   .047   .163   .648 .032 .176
WatX5  .047   .163   .648 .644 .176
CaX7   .060   .056   .519 .019 .219
NaX6   .060   .056   .519 .017 .219
WatX6  .060   .056   .519 .354 .219
CaX7   .010   .059   .400 .016 .099
NaX7   .010   .059   .400 .015 .099
WatX7  .010   .059   .400 .299 .099
CaX8   .419   .154   .955 .020 .121
NaX8   .419   .154   .955 .019 .121
WatX8  .419   .154   .955 .381 .121
CaX9   .999   .138   .424 .010 .100
NaX9   .999   .138   .424 .009 .100
WatX9  .999   .138   .424 .191 .100
CaX10  .486   .076   .904 .011 .093
NaX10  .486   .076   .904 .010 .093
WatX10 .486   .076   .904 .199 .093
CaX11  .291    .25   .949 .010 .031
NaX11  .291    .25   .949 .009 .031
WatX11 .291    .25   .949 .181 .031
CaX12  .435   .183   .038 .010 .041
NaX12  .435   .183   .038 .009 .041
WatX12 .435   .183   .038 .191 .041
CaX13  .425    .25   .818 .015 .166
NaX13  .425    .25   .818 .014 .166
WatX13 .425    .25   .818 .281 .166
CaX14  .157    .25   .786 .024 .174
NaX14  .157    .25   .786 .022 .174
WatX14 .157    .25   .786 .444 .174
CaX15  .278   .218   .818 .016 .087
NaX15  .278   .218   .818 .015 .087
WatX15 .278   .218   .818 .309 .087
CaX16  .058   .220   .922 .014 .125
NaX16  .058   .220   .922 .014 .125
WatX16 .058   .220   .922 .272 .125
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Download in:

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 40
View in amc, download in amc

Return to AMCSD Home Page