American Mineralogist Crystal Structure Database

35 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
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
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View JMOL 3-D Structure
 
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
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
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View JMOL 3-D Structure
 
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
Note: this sample of feldspar is from Stintino, Sardinia, Italy
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)
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
Na   .2681 .9888 .1462      .0152  .0476  .0320 -.0053  .0093 -.0219
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
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View JMOL 3-D Structure
 
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
Note: this sample of feldspar is from Stintino, Sardinia, Italy
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)
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
Na   .2691 .9898 .1460      .0150  .0592  .0355 -.0045  .0087 -.0262
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)
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View JMOL 3-D Structure
 
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
Note: this sample of feldspar is from Stintino, Sardinia, Italy
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)
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
Na   .2706 .9912 .1456      .0147  .0668  .0419 -.0061  .0099 -.0331
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)
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View JMOL 3-D Structure
 
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
Note: this sample of feldspar is from Stintino, Sardinia, Italy
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)
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
Na   .2704 .9937 .1441      .0161  .0811  .0470 -.0053  .0093 -.0413
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
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View JMOL 3-D Structure
 
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
Note: this sample of feldspar is from Stintino, Sardinia, Italy
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)
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
Na   .2699 .9911 .1453      .0123  .0666  .0389 -.0036  .0070 -.0326
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
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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
Note: this sample of feldspar is from Stintino, Sardinia, Italy
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)
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
Na   .2705 .9932 .1441      .0148  .0793  .0496 -.0074  .0010 -.0427
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
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View JMOL 3-D Structure
 
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
Note: this sample of feldspar is from Stintino, Sardinia, Italy
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)
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
Na   .2711 .9946 .1432      .0146  .0798  .0476 -.0018  .0070 -.0372
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 -.0D47  .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)
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View JMOL 3-D Structure
 
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
Note: this sample of feldspar is from Stintino, Sardinia, Italy
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)
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
Na   .2727 .0020 .1373      .0141  .1261  .0703  .0037  .0052 -.0620
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Boggsite
Download hom/boggsite.pdf
Zanardi S, Cruciani G, Alberti A, Galli E
 
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
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)
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Boggsite
Download hom/boggsite.pdf
Zanardi S, Cruciani G, Alberti A, Galli E
 
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
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)
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View JMOL 3-D Structure
 
Boggsite
Download hom/boggsite.pdf
Zanardi S, Cruciani G, Alberti A, Galli E
 
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
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Boggsite
Download hom/boggsite.pdf
Zanardi S, Cruciani G, Alberti A, Galli E
 
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
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)
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View JMOL 3-D Structure
 
Boggsite
Download hom/boggsite.pdf
Zanardi S, Cruciani G, Alberti A, Galli E
 
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
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
 
Boggsite
Download hom/boggsite.pdf
Zanardi S, Cruciani G, Alberti A, Galli E
 
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
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
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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
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
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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
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
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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
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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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
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
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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
13.62 17.16 16.68 90 90 90 Amma
atom       x     y     z    occ 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
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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
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
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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
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
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Rinkite
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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
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
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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
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
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Amicite
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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
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