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Natrolite |
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Baur W H, Kassner D, Kim C, Sieber N H W |
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European Journal of Mineralogy 2 (1990) 761-769 |
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Flexibility and distortion of the framework of natrolite: crystal |
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structures of ion-exchanged natrolites |
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Sample: Li-natrolite, LI |
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_database_code_amcsd 0006391 |
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17.678 18.509 6.488 90 90 90 Fdd2 |
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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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Li .2192 .5376 .1222 .83 .0650 .0690 .0320 -.0070 -.0100 -.0140 |
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Na .2192 .5376 .1222 .17 .0650 .0690 .0320 -.0070 -.0100 -.0140 |
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Si1 0 0 0 .0400 .0170 .0020 .0040 0 0 |
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Si2 .1487 .2147 .6217 .0410 .0150 .0030 .0030 -.0020 -.0020 |
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Al .2139 .3431 .8656 .0430 .0130 .0030 .0000 .0000 .0020 |
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O1 .0122 .073 .8672 .0480 .0160 .0120 -.0010 .0130 .0040 |
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O2 .1851 .4319 .8516 .0420 .0210 .0040 .0000 -.0020 -.0010 |
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O3 .1452 .2838 .7723 .0510 .0180 .0050 -.0030 .0000 -.0060 |
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O4 .2927 .3451 .7050 .0490 .0220 .0080 .0050 .0100 .0030 |
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O5 .9260 .0095 .1406 .0400 .0280 .0140 -.0040 .0010 -.0040 |
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OW .2079 .4497 .3619 .0610 .0310 .0300 -.0010 .0180 .0000 |
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H1 .035 .159 .125 .0240 |
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H2 .086 .198 .166 .0190 |
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Natrolite |
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Baur W H, Kassner D, Kim C, Sieber N H W |
| |
European Journal of Mineralogy 2 (1990) 761-769 |
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Flexibility and distortion of the framework of natrolite: crystal |
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structures of ion-exchanged natrolites |
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Sample: natrolite, NA |
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_database_code_amcsd 0006392 |
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18.307 18.623 6.5872 90 90 90 Fdd2 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na .2207 .5307 .1180 .0203 .0205 .0204 -.0030 .0027 -.0001 |
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Al .2124 .3438 .8657 .0083 .0081 .0090 .0008 .0014 -.0006 |
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Si1 0 0 0 .0135 .0111 .0084 -.0006 0 0 |
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Si2 .1535 .2113 .6234 .0087 .0107 .0079 -.0012 .0003 -.0007 |
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O1 .0226 .0682 .8656 .0214 .0152 .0108 -.0023 -.0006 -.0025 |
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O2 .1794 .4313 .8613 .0135 .0129 .0089 -.0007 .0006 -.0028 |
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O3 .1520 .2852 .7517 .0127 .0181 .0165 -.0015 -.0029 -.0078 |
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O4 .2929 .3472 .7256 .0147 .0207 .0139 .0014 .0048 .0018 |
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O5 .9307 .0226 .1393 .0142 .0223 .0104 .0035 .0036 -.0007 |
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OW .1934 .4395 .3620 .0271 |
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H1 .051 .138 .033 .1270 |
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H2 .094 .196 .160 .0930 |
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Natrolite |
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Baur W H, Kassner D, Kim C, Sieber N H W |
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European Journal of Mineralogy 2 (1990) 761-769 |
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Flexibility and distortion of the framework of natrolite: crystal |
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structures of ion-exchanged natrolites |
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Sample: K-natrolite, KK |
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_database_code_amcsd 0006393 |
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19.27 19.66 6.469 90 90 90 Fdd2 |
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atom x y z |
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K .2185 .5310 .121 |
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Al .2023 .3359 .859 |
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Si1 0 0 0 |
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Si2 .1614 .2028 .620 |
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O1 .0418 .0541 .859 |
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O2 .1633 .4155 .860 |
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O3 .1541 .2789 .713 |
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O4 .2859 .3416 .761 |
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O5 .9447 .0409 .141 |
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Wat .1743 .4241 .370 |
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Hentschelite |
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Sieber N H W, Tillmanns E, Hofmeister W |
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Acta Crystallographica C43 (1987) 1855-1857 |
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Structure of hentschelite, CuFe2(PO4)2(OH)2, a new member of the lazulite group |
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Locality: silicified barite vein, Reichenbach, Odenwald, Germany |
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_database_code_amcsd 0010052 |
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6.984 7.786 7.266 90 117.68 90 P2_1/n |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Cu 0 0 0 .0090 .0058 .0103 .0098 -.0015 .0026 .0037 |
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Fe .2799 .2738 .0122 .0068 .0075 .0061 .0073 .0000 .0040 .0001 |
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P .5002 .0970 .7485 .0047 .0049 .0041 .0060 .0005 .0033 .0007 |
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O1 .2928 -.0102 .6348 .0093 .0068 .0088 .0117 -.0019 .0037 -.0031 |
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O2 .4751 .2153 .9026 .0113 .0122 .0127 .0121 -.0018 .0084 -.0052 |
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O3 .6901 -.0318 .8626 .0093 .0060 .0078 .0121 .0010 .0026 .0038 |
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O4 .5503 .2035 .5990 .0103 .0113 .0101 .0126 .0013 .0083 .0039 |
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OH5 .5226 .3711 .2703 .0072 .0083 .0077 .0066 -.0003 .0042 -.0001 |
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Hentschelite |
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Sieber N H W, Hofmeister W, Tillmanns E, Abraham K |
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Fortschritte der Mineralogie 62 (1984) 231-232 |
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Neue mineraldaten fur kupferphosphate und -arsenate von Reichenbach/Odw |
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Locality: Reichenbach, Germany |
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_database_code_amcsd 0012651 |
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6.977 7.781 7.260 90 117.68 90 P2_1/n |
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atom x y z Uiso |
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Cu 0 0 0 .0090 |
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Fe .28000 .27388 .01234 .0068 |
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P .50023 .09689 .74830 .0047 |
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O1 .2931 .9895 .6352 .0093 |
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O2 .4757 .2150 .9023 .0113 |
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O3 .6903 .9683 .8625 .0093 |
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O4 .5505 .2036 .5991 .0103 |
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OH5 .5232 .3714 .2712 .0072 |
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Cornubite |
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Sieber N H W, Hofmeister W, Tillmanns E, Abraham K |
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Fortschritte der Mineralogie 62 (1984) 231-232 |
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Neue mineraldaten fur kupferphosphate und -arsenate von Reichenbach/Odw |
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Locality: Reichenbach, Germany |
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_database_code_amcsd 0012652 |
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6.121 6.251 6.790 92.93 111.30 107.47 P-1 |
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atom x y z Biso |
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Cu1 0 0 0 .54 |
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Cu2 .99594 .32402 .33203 .62 |
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Cu3 .50677 .32154 .32393 .54 |
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As .44718 .17614 .79809 .48 |
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O2 .8386 .9905 .2147 .71 |
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O3 .6034 .0162 .7386 .74 |
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O5 .3818 .3395 .6067 .67 |
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O6 .3650 .6572 .9623 .78 |
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OH1 .8327 .6883 .8602 .56 |
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OH4 .8383 .3443 .5329 .59 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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