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Nekoite |
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Alberti A, Galli E |
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American Mineralogist 65 (1980) 1270-1276 |
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The structure of nekoite, Ca3Si6O15*7H2O, a new type of sheet silicate |
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Locality: Caxias do Sul, Rio Grande do Sul, Brazil |
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7.588 9.793 7.339 111.77 103.50 86.53 P1 |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca1 .5366 .1658 .4731 0.0136 0.0010 0.0075 0.0002 0.0013 0.0006 |
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Ca2 .4671 -.1608 .5595 0.0133 0.0012 0.0068 0.0008 0.0024 0.0008 |
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Ca3 .4493 -.1628 .0297 0.0138 0.0002 0.0072 0.0011 0.0016 0.0012 |
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Si1 .1572 .1374 .0791 0.9 |
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Si2 -.1287 -.1229 -.0428 1.7 |
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Si3 -.1380 -.1058 .3978 1.0 |
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Si4 .1602 .1414 .6624 1.2 |
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Si5 .1802 .3783 .4897 1.2 |
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Si6 .0695 .7051 .6358 1.3 |
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O1 -.0218 .0291 -.0046 2.5 |
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O2 .1023 .2796 .2485 2.2 |
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O3 -.0366 -.2616 -.1835 2.1 |
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O4 .3357 .0605 .1573 2.6 |
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O5 -.3354 -.1078 -.1182 2.1 |
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O6 -.0921 -.1487 .1810 2.9 |
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O7 .1717 .1939 -.0926 1.7 |
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O8 -.0323 .0384 .5439 2.6 |
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O9 -.0697 -.2401 .4612 1.5 |
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O10 .1169 .2931 .6219 1.4 |
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O11 -.3558 -.0813 .3768 1.5 |
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O12 .3313 .0589 .5923 2.3 |
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O13 .0751 .5289 .5339 1.6 |
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O14 .3995 .3923 .5464 2.2 |
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O15 .2543 .7873 .7148 3.7 |
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Wat1 .5054 -.4210 -.0770 3.9 |
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Wat2 .5499 -.4132 .4586 4.9 |
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Wat3 .7084 .2084 .8207 8.0 |
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Wat4 .7141 .2183 .2877 7.4 |
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Wat5 .0825 .5093 .0357 6.7 |
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Wat6 .7598 .4588 .1661 5.2 |
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Wat7 .2745 -.2432 .2251 2.2 |
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Terranovaite |
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Galli E, Quartieri S, Vezzalini G, Alberti A, Franzini M |
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American Mineralogist 82 (1997) 423-429 |
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Terranovaite from Antarctica: A new 'pentasil' zeolite |
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9.747 23.880 20.068 90 90 90 Cmcm |
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atom x y z occ Biso |
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Si1 0 .4524 .3281 .85 1.01 |
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Al1 0 .4524 .3281 .15 1.01 |
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Si2 0 .5440 .4396 .85 1.18 |
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Al2 0 .5440 .4396 .15 1.18 |
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Si3 .7919 .3604 .3728 .85 1.28 |
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Al3 .7919 .3604 .3728 .15 1.28 |
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Si4 .7917 .6392 .4694 .85 1.13 |
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Al4 .7917 .6392 .4694 .15 1.13 |
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Si5 0 .1806 .4414 .85 1.07 |
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Al5 0 .1806 .4414 .15 1.07 |
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Si6 0 .7321 .4365 .85 1.01 |
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Al6 0 .7321 .4365 .15 1.01 |
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Si7 0 .2697 .3272 .85 1.15 |
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Al7 0 .2697 .3272 .15 1.15 |
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Si8 0 .8252 .3289 .85 1.02 |
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Al8 0 .8252 .3289 .15 1.02 |
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O1 0 .4692 .25 3.41 |
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O2 0 .5113 .3679 3.97 |
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O3 .1367 .4160 .3453 3.74 |
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O4 0 .5 .5 5.66 |
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O5 .8630 .5836 .4415 3.97 |
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O6 .1958 .3683 .4512 5.04 |
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O7 .6325 .3623 .3488 3.16 |
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O8 .8661 .3057 .3415 3.47 |
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O9 .3663 .6374 .4453 2.34 |
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O10 .8655 .6932 .4377 3.03 |
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O11 0 .2124 .3685 2.93 |
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O12 0 .7751 .4970 3.09 |
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O13 0 .7648 .3656 2.39 |
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O14 0 .2515 .25 3.28 |
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O15 0 .8123 .25 4.01 |
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Na1 0 .0458 .4442 .05 .7 |
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Ca1 0 .0458 .4442 .05 .7 |
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Wat1 0 .0458 .4442 .37 .7 |
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Na2 0 .0403 .25 .08 1.6 |
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Ca2 0 .0403 .25 .08 1.6 |
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Wat2 0 .0403 .25 .56 1.6 |
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Na3 .3578 .4603 .25 .11 9.2 |
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Ca3 .3578 .4603 .25 .11 9.2 |
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Wat3 .3578 .4603 .25 .76 9.2 |
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Na4 .1457 .0399 .3495 .08 9.5 |
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Ca4 .1457 .0399 .3495 .08 9.5 |
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Wat4 .1457 .0399 .3495 .58 9.5 |
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Na5 0 .6982 .25 .06 9.5 |
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Ca5 0 .6982 .25 .06 9.5 |
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Wat5 0 .6982 .25 .44 9.5 |
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Na6 0 .9509 .4405 .06 9.5 |
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Ca6 0 .9509 .4405 .06 9.5 |
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Wat6 0 .9509 .4405 .44 9.5 |
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Na7 .9089 .1288 .25 .06 9.5 |
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Ca7 .9089 .1288 .25 .06 9.5 |
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Wat7 .9089 .1288 .25 .44 9.5 |
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Na8 .3519 .4804 .4598 .04 8.2 |
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Ca8 .3519 .4804 .4598 .04 8.2 |
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Wat8 .3519 .4804 .4598 .29 8.2 |
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Na9 0 .9651 .3547 .03 4.1 |
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Ca9 0 .9651 .3547 .03 4.1 |
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Wat9 0 .9651 .3547 .20 4.1 |
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Na10 0 .5972 .25 .06 11.8 |
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Ca10 0 .5972 .25 .06 11.8 |
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Wat10 0 .5972 .25 .44 11.8 |
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Na11 .3056 .1983 .25 .05 9.5 |
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Ca11 .3056 .1983 .25 .05 9.5 |
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Wat11 .3056 .1983 .25 .37 9.5 |
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Na12 .1901 .0815 .1907 .02 8.7 |
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Ca12 .1901 .0815 .1907 .02 8.7 |
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Wat12 .1901 .0815 .1907 .16 8.7 |
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Albite |
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Meneghinello E, Alberti A, Cruciani G |
 |
American Mineralogist 84 (1999) 1144-1151 |
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Order-disorder process in the tetrahedral sites af albite |
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Sample: untreated |
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Note: this sample of feldspar is from Stintino, Sardinia, Italy |
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8.133 12.773 7.159 94.23 116.64 87.72 C-1 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Allo .0090 .1684 .2085 .96 .0089 .0080 .0070 -.0013 .0042 .0005 |
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Silo .0090 .1684 .2085 .04 .0089 .0080 .0070 -.0013 .0042 .0005 |
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Silm .0039 .8205 .2373 .97 .0080 .0073 .0063 .0010 .0038 .0011 |
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Allm .0039 .8205 .2373 .03 .0080 .0073 .0063 .0010 .0038 .0011 |
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Si2o .6917 .1103 .3150 .0078 .0061 .0083 -.0008 .0034 .0006 |
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Si2m .6815 .8818 .3608 .99 .0071 .0063 .0084 .0005 .0038 .0013 |
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Al2m .6815 .8818 .3608 .01 .0071 .0063 .0084 .0005 .0038 .0013 |
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Na .2681 .9888 .1462 .0152 .0476 .0320 -.0053 .0093 -.0219 |
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OA1 .0045 .1310 .9663 .0196 .0120 .0079 .0001 .0083 .0014 |
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OA2 .5912 .9973 .2805 .0077 .0066 .0112 .0000 .0034 .0018 |
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OBo .8126 .1095 .1907 .0126 .0142 .0174 -.0037 .0105 -.0011 |
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OBm .8201 .8509 .2591 .0147 .0160 .0243 .0048 .0139 .0037 |
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OCo .0131 .3021 .2698 .0113 .0086 .0154 -.0020 .0063 -.0010 |
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OCm .0239 .6937 .2288 .0122 .0081 .0145 .0023 .0051 .0025 |
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ODo .2074 .1091 .3891 .0128 .0132 .0081 .0012 .0023 .0018 |
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ODm .1832 .8678 .4365 .0141 .0136 .0095 -.0025 .0000 -.0004 |
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|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
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|   |
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Albite |
 |
Meneghinello E, Alberti A, Cruciani G |
 |
American Mineralogist 84 (1999) 1144-1151 |
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Order-disorder process in the tetrahedral sites af albite |
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Sample: 1050-3d |
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Note: this sample of feldspar is from Stintino, Sardinia, Italy |
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8.141 12.795 7.145 94.04 116.56 87.98 C-1 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Al1o .0088 .1690 .2090 .91 .0101 .0095 .0082 -.0015 .0045 .0008 |
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Si1o .0088 .1690 .2090 .09 .0101 .0095 .0082 -.0015 .0045 .0008 |
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Si1m .0039 .8200 .2366 .96 .0090 .0088 .0073 .0009 .0041 .0014 |
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Al1m .0039 .8200 .2366 .04 .0090 .0088 .0073 .0009 .0041 .0014 |
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Si2o .6921 .1104 .3159 .98 .0089 .0082 .0094 -.0002 .0038 .0010 |
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Al2o .6921 .1104 .3159 .02 .0089 .0082 .0094 -.0002 .0038 .0010 |
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Si2m .6825 .8816 .3600 .97 .0086 .0082 .0098 .0006 .0042 .0016 |
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Al2m .6825 .8816 .3600 .03 .0086 .0082 .0098 .0006 .0042 .0016 |
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Na .2691 .9898 .1460 .0150 .0592 .0355 -.0045 .0087 -.0262 |
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OA1 .0048 .1320 .9681 .0206 .0156 .0092 -.0002 .0079 .0012 |
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OA2 .5935 .9971 .2807 .0101 .0090 .0138 .0000 .0045 .0027 |
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OBo .8134 .1108 .1911 .0144 .0168 .0195 -.0039 .0112 -.0005 |
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OBm .8205 .8513 .2573 .0158 .0189 .0246 .0043 .0135 .0014 |
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OCo .0142 .3017 .2705 .0128 .0112 .0167 -.0024 .0062 -.0008 |
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OCm .0240 .6933 .2296 .0126 .0101 .0150 .0026 .0037 .0018 |
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ODo .2059 .1094 .3885 .0147 .0157 .0101 .0007 .0028 .0018 |
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ODm .1833 .8684 .4345 .0162 .0159 .0113 -.0025 .0010 -.0014 |
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|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
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Albite |
 |
Meneghinello E, Alberti A, Cruciani G |
 |
American Mineralogist 84 (1999) 1144-1151 |
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Order-disorder process in the tetrahedral sites af albite |
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Sample: 1060-6d |
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Note: this sample of feldspar is from Stintino, Sardinia, Italy |
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8.170 12.811 7.141 93.79 116.53 88.09 C-1 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Al1o .0091 .1692 .2102 .84 .0121 .0097 .0094 -.0029 .0058 .0004 |
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Si1o .0091 .1692 .2102 .16 .0121 .0097 .0094 -.0029 .0058 .0004 |
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Si1m .0042 .8194 .2356 .93 .0108 .0097 .0085 .0013 .0052 .0011 |
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Al1m .0042 .8194 .2356 .07 .0108 .0097 .0085 .0013 .0052 .0011 |
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Si2o .6930 .1109 .3179 .95 .0110 .0075 .0111 -.0009 .0050 .0006 |
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Al2o .6930 .1109 .3179 .05 .0110 .0075 .0111 -.0009 .0050 .0006 |
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Si2m .6842 .8815 .3588 .96 .0103 .0080 .0111 -.0003 .0049 .0011 |
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Al2m .6842 .8815 .3588 .04 .0103 .0080 .0111 -.0003 .0049 .0011 |
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Na .2706 .9912 .1456 .0147 .0668 .0419 -.0061 .0099 -.0331 |
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OA1 .0046 .1335 .9711 .0253 .0156 .0134 -.0016 .0116 .0021 |
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OA2 .5944 .9964 .2813 .0122 .0091 .0169 -.0008 .0054 .0012 |
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OBo .8144 .1126 .1936 .0177 .0191 .0230 -.0033 .0132 .0009 |
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OBm .8211 .8515 .2553 .0192 .0189 .0305 .0032 .0170 -.0001 |
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OCo .0154 .3013 .2697 .0146 .0147 .0194 -.0031 .0081 -.0021 |
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OCm .0244 .6926 .2308 .0149 .0103 .0194 .0024 .0062 .0019 |
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ODo .2036 .1111 .3900 .0173 .0146 .0137 -.0022 .0041 .0020 |
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ODm .1830 .8683 .4330 .0165 .0171 .0118 -.0020 .0018 -.0003 |
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|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Albite |
 |
Meneghinello E, Alberti A, Cruciani G |
 |
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 |
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8.140 12.791 7.132 93.94 116.54 88.46 C-1 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Al1o .0089 .1681 .2105 .78 .0115 .0107 .0082 -.0028 .0049 .0005 |
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Si1o .0089 .1681 .2105 .22 .0115 .0107 .0082 -.0028 .0049 .0005 |
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Si1m .0039 .8185 .2348 .92 .0100 .0103 .0082 .0015 .0044 .0015 |
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Al1m .0039 .8185 .2348 .08 .0100 .0103 .0082 .0015 .0044 .0015 |
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Si2o .6921 .1100 .3172 .94 .0101 .0085 .0103 -.0010 .0042 .0007 |
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Al2o .6921 .1100 .3172 .06 .0101 .0085 .0103 -.0010 .0042 .0007 |
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Si2m .6837 .8807 .3585 .92 .0097 .0083 .0106 .0001 .0044 .0013 |
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Al2m .6837 .8807 .3585 .08 .0097 .0083 .0106 .0001 .0044 .0013 |
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Na .2704 .9937 .1441 .0161 .0811 .0470 -.0053 .0093 -.0413 |
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OA1 .0057 .1331 .9728 .0241 .0185 .0132 -.0006 .0111 .0025 |
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OA2 .5930 .9955 .2803 .0116 .0107 .0147 -.0011 .0042 .0024 |
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OBo .8153 .1109 .1933 .0171 .0217 .0203 -.0054 .0120 -.0003 |
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OBm .8206 .8501 .2546 .0173 .0207 .0252 .0034 .0134 .0009 |
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OCo .0140 .2992 .2720 .0142 .0159 .0172 -.0030 .0060 -.0015 |
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OCm .0237 .6920 .2279 .0156 .0111 .0176 .0022 .0049 .0019 |
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ODo .2035 .1102 .3882 .0165 .0166 .0122 .0003 .0040 .0024 |
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ODm .1842 .8682 .4324 .0178 .0170 .0122 -.0025 .0006 -.0009 |
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|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Albite |
 |
Meneghinello E, Alberti A, Cruciani G |
 |
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 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Al1o .0089 .1687 .2098 .90 .0093 .0091 .0068 -.0018 .0037 .0005 |
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Si1o .0089 .1687 .2098 .10 .0093 .0091 .0068 -.0018 .0037 .0005 |
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Si1m .0041 .8193 .2357 .95 .0085 .0085 .0066 .0012 .0037 .0010 |
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Al1m .0041 .8193 .2357 .05 .0085 .0085 .0066 .0012 .0037 .0010 |
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Si2o .6923 .1103 .3167 .98 .0082 .0071 .0086 -.0005 .0033 .0006 |
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Al2o .6923 .1103 .3167 .02 .0082 .0071 .0086 -.0005 .0033 .0006 |
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Si2m .6833 .8812 .3593 .97 .0081 .0071 .0088 .0004 .0036 .0011 |
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Al2m .6833 .8812 .3593 .03 .0081 .0071 .0088 .0004 .0036 .0011 |
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Na .2699 .9911 .1453 .0123 .0666 .0389 -.0036 .0070 -.0326 |
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OA1 .0048 .1323 .9700 .0197 .0161 .0102 .0004 .0083 .0027 |
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OA2 .5941 .9966 .2812 .0105 .0081 .0129 .0003 .0041 .0024 |
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OBo .8138 .1112 .1923 .0155 .0167 .0186 -.0037 .0108 -.0003 |
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OBm .8203 .8504 .2558 .0152 .0198 .0246 .0042 .0135 .0009 |
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OCo .0149 .3010 .2708 .0114 .0128 .0163 -.0022 .0053 -.0013 |
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OCm .0237 .6928 .2291 .0116 .0104 .0155 .0021 .0031 .0011 |
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ODo .2045 .1103 .3888 .0148 .0162 .0096 .0016 .0024 .0020 |
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ODm .1839 .8682 .4335 .0147 .0153 .0106 -.0014 .0000 -.0007 |
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|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Albite |
 |
Meneghinello E, Alberti A, Cruciani G |
 |
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 |
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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 |
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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 |
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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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Albite |
 |
Meneghinello E, Alberti A, Cruciani G |
 |
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Albite |
 |
Meneghinello E, Alberti A, Cruciani G |
 |
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Boggsite |
 |
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Boggsite |
 |
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Boggsite |
 |
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Boggsite |
 |
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Boggsite |
 |
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 |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Dachiardite-Ca |
 |
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 |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Barrerite |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Stellerite |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Brewsterite-Sr |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Pumpellyite-(Mg) |
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Galli E, Alberti A |
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Acta Crystallographica B25 (1969) 2276-2281 |
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On the crystal structure of pumpellyite |
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8.83 5.9 19.17 90 97.12 90 A2/m |
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atom x y z occ Biso |
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Al .5 .25 .25 .50 .57 |
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Mg .5 .25 .25 .35 .57 |
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Fe .5 .25 .25 .15 .57 |
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Ca1 .2502 .5 .3395 .95 .35 |
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Mg1 .2502 .5 .3395 .05 .35 |
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Ca2 .1895 .5 .1550 .95 .95 |
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Mg2 .1895 .5 .1550 .05 .95 |
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Si1 .0484 0 .0907 .93 .33 |
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Al1 .0484 0 .0907 .07 .33 |
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Si2 .1674 0 .2482 .93 .38 |
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Al2 .1674 0 .2482 .07 .38 |
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Si3 .4661 0 .4021 .93 .11 |
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Al3 .4661 0 .4021 .07 .11 |
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Al .2541 .2454 .4964 .08 |
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O1 .1360 .2218 .0685 .56 |
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O2 .2674 .2318 .2444 .86 |
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O3 .3684 .222 .4209 .58 |
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O4 .1304 .5 .4448 .27 |
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OH5 .1283 0 .4558 .38 |
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O6 .3695 .5 .0445 .37 |
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OH7 .3665 0 .0338 .07 |
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O8 .0376 0 .1779 .31 |
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O9 .4746 .5 .1764 .40 |
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O10 .0667 0 .3152 .40 |
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OH11 .4992 .5 .3129 .24 |
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Rinkite |
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Galli E, Alberti A |
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Acta Crystallographica B27 (1971) 1277-1284 |
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The crystal structure of rinkite |
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7.437 5.664 18.8430 90 101.38 90 P2_1/c |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ti 0 0 0 .515 .0027 .0286 .0013 -.0023 .0006 -.004 |
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Nb 0 0 0 .327 .0027 .0286 .0013 -.0023 .0006 -.004 |
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Al 0 0 0 .089 .0027 .0286 .0013 -.0023 .0006 -.004 |
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Zr 0 0 0 .069 .0027 .0286 .0013 -.0023 .0006 -.004 |
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Na .5 0 0 .66 .0099 .0162 .0004 .0002 .0001 -.0006 |
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Ca .5 0 0 .19 .0099 .0162 .0004 .0002 .0001 -.0006 |
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K1 .5 0 0 .02 .0099 .0162 .0004 .0002 .0001 -.0006 |
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Na2 .7500 .5012 .0004 .759 .0086 .0097 .0021 .0006 .0010 .0016 |
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Ca2 .7500 .5012 .0004 .219 .0086 .0097 .0021 .0006 .0010 .0016 |
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K2 .7500 .5012 .0004 .022 .0086 .0097 .0021 .0006 .0010 .0016 |
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Ca3 .0938 .6605 .1918 .685 .0038 .0113 .0010 .0000 .0003 .0004 |
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Ce3 .0938 .6605 .1918 .262 .0038 .0113 .0010 .0000 .0003 .0004 |
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Fe3 .0938 .6605 .1918 .053 .0038 .0113 .0010 .0000 .0003 .0004 |
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Ca4 .5969 .6630 .1902 .685 .0054 .0190 .0011 .0003 .0005 .0003 |
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Ce4 .5969 .6630 .1902 .262 .0054 .0190 .0011 .0003 .0005 .0003 |
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Fe4 .5969 .6630 .1902 .053 .0054 .0190 .0011 .0003 .0005 .0003 |
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Si1 .3515 .1541 .1403 .0039 .0132 .0006 -.0003 .0001 -.0001 |
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Si2 .7831 .1530 .1379 .0041 .0109 .0006 -.0007 .0003 .0001 |
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O1 .2172 .1488 .0609 .0093 .0122 .0011 -.0019 -.0008 .0001 |
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O2 .8306 .1410 .0578 .0088 .0289 .0008 .0015 .0007 .0009 |
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O3 .3379 .3971 .1849 .0086 .0160 .0021 .0005 .0015 -.0015 |
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O4 .8436 .3949 .1797 .0089 .0125 .0022 -.0016 .0013 -.0022 |
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O5 .3355 .9311 .1918 .0087 .0139 .0011 .0014 .0007 .0003 |
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O6 .8559 .9365 .1903 .0087 .0116 .0012 .0006 .0003 .0005 |
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O7 .5581 .1413 .1206 .007 .0324 .0015 .0002 .0007 -.0014 |
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O8 .0308 .7052 .0617 .25 .0115 .0296 .0014 -.0041 .0006 .0000 |
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F8 .0308 .7052 .0617 .75 .0115 .0296 .0014 .0041 .0006 .0000 |
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O9 .5303 .6546 .0642 .25 .0156 .0155 .0014 .0017 .0008 .0003 |
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F9 .5303 .6546 .0642 .75 .0156 .0155 .0014 .0017 .0008 .0003 |
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Ferrisicklerite |
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Alberti A |
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Acta Crystallographica B32 (1976) 2761-2764 |
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Crystal structure of ferrisicklerite, Li<1(Fe3+,Mn2+)PO4 |
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Locality: Sidi-Bou-Othmane, Jebilet, Morocco |
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5.918 10.037 4.798 90 90 90 Pmnb |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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LiM1 0 0 0 .301 2.0 |
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NaM1 0 0 0 .0135 2.0 |
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Fe3+M2 .25 .27815 -.03639 .607 .63 .0047 .0016 .0085 0 0 -.0006 |
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MnM2 .25 .27815 -.03639 .333 .63 .0047 .0016 .0085 0 0 -.0006 |
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MgM2 .25 .27815 -.03639 .036 .63 .0047 .0016 .0085 0 0 -.0006 |
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CaM2 .25 .27815 -.03639 .017 .63 .0047 .0016 .0085 0 0 -.0006 |
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Fe2+M2 .25 .27815 -.03639 .007 .63 .0047 .0016 .0085 0 0 -.0006 |
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P .25 .09593 .41110 .965 .54 .0045 .0012 .0070 0 0 -.0001 |
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O1 .25 .11485 -.27659 1.22 .0090 .0036 .0088 0 0 -.0005 |
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O2 .25 .44926 .17125 1.19 .0081 .0018 .0183 0 0 .0010 |
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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 |
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Acta Crystallographica B35 (1979) 2866-2869 |
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The crystal structure of amicite, a zeolite |
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Locality: basaltic rock at Howenegg in Hegau, southern West Germany |
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10.226 10.422 9.884 90 88.19 90 I2 |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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K .3071 -.0040 .9692 2.09 .0060 .0046 .0046 .0017 -.0009 -.0010 |
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Na .4312 .2559 .6716 2.53 .0050 .0076 .0056 .0027 -.0006 -.0017 |
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Al1 .1546 .2491 .1546 0.43 .0009 .0011 .0011 .0000 .0000 .0002 |
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Al2 .1582 .0027 .6512 0.44 .0012 .0009 .0011 .0002 .0000 -.0002 |
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Si1 .1523 -.0133 .3261 0.46 .0012 .0010 .0011 .0004 .0001 .0001 |
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Si2 .1534 .2615 .8263 0.40 .0010 .0009 .0010 .0001 .0000 .0001 |
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O1 .0010 -.0471 .3037 1.21 .0014 .0033 .0041 -.0002 -.0001 -.0006 |
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O2 -.0030 .2956 .2047 1.14 .0016 .0037 .0030 .0004 .0001 -.0006 |
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O3 .2031 .1401 .7354 0.96 .0028 .0020 .0022 .0003 -.0003 -.0006 |
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O4 .1810 .0304 .4785 1.18 .0041 .0027 .0017 -.0005 |