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Prehnite |
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Papike J J, Zoltai T |
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American Mineralogist 52 (1967) 974-984 |
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Ordering of tetrahedral aluminium in prehnite, Ca2(Al,Fe)[Si3AlO10](OH)2 |
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_database_code_amcsd 0000157 |
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4.646 5.483 18.486 90 90 90 Pncm |
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atom x y z occ Biso |
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Ca 0 .5 .0992 .41 |
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Al 0 0 0 .26 |
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Si1 .5 0 .1195 .25 |
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Si2 .1895 .25 .25 .5 .20 |
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Al2 .1895 .25 .25 .5 .20 |
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O1 .7511 .1323 .0739 .45 |
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O2 .3686 .2130 .1716 .59 |
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O3 0 0 .2687 1.55 |
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OH .2054 .3018 0 .68 |
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Prehnite |
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Balic-Zunic T, Scavnicar S, Molin G |
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European Journal of Mineralogy 2 (1990) 731-734 |
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Crystal structure of prehnite from Komiza |
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Locality: Komiza |
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_database_code_amcsd 0006388 |
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4.646 5.491 18.52 90 90 90 P2cm |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca 0 .7601 .1507 1.9 .0290 .0132 .0291 .0004 0 .0010 |
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Si1 .799 .5 0 1.6 .0250 .0090 .0260 0 0 .0010 |
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Si2 .490 .2509 .1302 1.6 .0225 .0109 .0281 .0005 .0030 0 |
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Al1 .179 0 0 1.7 .0230 .0100 .0310 0 0 .0010 |
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Al2 -.002 .2628 .25 .83 1.8 .0230 .0120 .0320 -.0030 0 0 |
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Fe2 -.002 .2628 .25 .17 1.8 .0230 .0120 .0320 -.0030 0 0 |
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O1 -.018 .739 .0196 2.1 .0310 .0150 .0320 0 -.0040 0 |
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O2 .611 .459 .0730 2.6 .0330 .0180 .0470 .0020 -.0010 0 |
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O3 .350 .032 .0825 1.4 .0160 .0130 .0230 -.0010 -.0050 -.0030 |
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O4 .245 .392 .1758 1.3 .0170 .0160 .0160 .0030 .0060 .0010 |
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O5 .745 .130 .1766 2.7 .0400 .0090 .0550 0 .0070 -.0040 |
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OH1 .206 .960 .25 2.0 .0350 .0180 .0220 -.0040 0 0 |
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OH2 .790 .565 .25 1.7 .0220 .0020 .0410 .0030 0 0 |
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Prehnite |
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Detrie T A, Ross N L, Angel R J, Gatta G D |
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European Journal of Mineralogy 21 (2009) 561-570 |
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Equation of state and structure of prehnite to 9.8 GPa |
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Locality: N'Chwaning II mine, Kuruman, South Africa |
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Note: P = 0.0001 GPa |
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_database_code_amcsd 0007288 |
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4.6248 5.4825 18.475 90 90 90 Pncm |
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atom x y z occ Uiso |
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Ca 0 .5 .0986 .013 |
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Al 0 0 0 .008 |
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SiT1 .5 0 .1201 .007 |
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AlT2 .1918 .75 .25 .5 .006 |
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SiT2 .1918 .75 .25 .5 .006 |
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O1 -.7514 .1323 .0708 .008 |
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O2 -.3688 .2148 .1714 .011 |
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O3 0 .5 .227 .018 |
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OH -.2060 .2985 0 .009 |
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Prehnite |
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Detrie T A, Ross N L, Angel R J, Gatta G D |
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European Journal of Mineralogy 21 (2009) 561-570 |
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Equation of state and structure of prehnite to 9.8 GPa |
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Locality: N'Chwaning II mine, Kuruman, South Africa |
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Note: P = 1.952 GPa |
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_database_code_amcsd 0007289 |
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4.5905 5.4508 18.3970 90 90 90 Pncm |
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atom x y z occ Uiso |
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Ca 0 .5 .0996 .013 |
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Al 0 0 0 .008 |
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SiT1 .5 0 .1192 .006 |
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AlT2 .1933 .75 .25 .5 .006 |
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SiT2 .1933 .75 .25 .5 .006 |
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O1 -.7506 .1348 .0717 .011 |
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O2 -.3709 .2160 .1717 .012 |
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O3 0 .5 .2302 .019 |
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OH -.2081 .3028 0 .009 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Prehnite |
|
Detrie T A, Ross N L, Angel R J, Gatta G D |
| |
European Journal of Mineralogy 21 (2009) 561-570 |
|
Equation of state and structure of prehnite to 9.8 GPa |
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Locality: N'Chwaning II mine, Kuruman, South Africa |
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Note: P = 4.279 GPa |
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_database_code_amcsd 0007290 |
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4.5539 5.4148 18.317 90 90 90 Pncm |
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atom x y z occ Uiso |
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Ca 0 .5 .0996 .013 |
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Al 0 0 0 .007 |
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SiT1 .5 0 .1192 .007 |
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AlT2 .1934 .75 .25 .5 .006 |
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SiT2 .1934 .75 .25 .5 .006 |
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O1 -.7506 .1348 .0717 .011 |
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O2 -.3709 .2160 .1717 .011 |
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O3 0 .5 .2302 .018 |
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OH -.2081 .3028 0 .009 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Prehnite |
|
Detrie T A, Ross N L, Angel R J, Gatta G D |
| |
European Journal of Mineralogy 21 (2009) 561-570 |
|
Equation of state and structure of prehnite to 9.8 GPa |
|
Locality: N'Chwaning II mine, Kuruman, South Africa |
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Note: P = 5.111 GPa |
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_database_code_amcsd 0007291 |
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4.5414 5.4023 18.2913 90 90 90 Pncm |
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atom x y z occ Uiso |
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Ca 0 .5 .0996 .012 |
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Al 0 0 0 .008 |
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SiT1 .5 0 .1187 .006 |
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AlT2 .1963 .75 .25 .5 .005 |
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SiT2 .1963 .75 .25 .5 .005 |
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O1 -.7537 .1355 .0712 .010 |
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O2 -.3732 .2192 .1718 .012 |
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O3 0 .5 .232 .019 |
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OH -.214 .3045 0 .009 |
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|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Prehnite |
|
Detrie T A, Ross N L, Angel R J, Gatta G D |
| |
European Journal of Mineralogy 21 (2009) 561-570 |
|
Equation of state and structure of prehnite to 9.8 GPa |
|
Locality: N'Chwaning II mine, Kuruman, South Africa |
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Note: P = 6.408 GPa |
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_database_code_amcsd 0007292 |
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4.5236 5.3828 18.2482 90 90 90 Pncm |
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atom x y z occ Uiso |
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Ca 0 .5 .0998 .012 |
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Al 0 0 0 .009 |
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SiT1 .5 0 .1188 .006 |
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AlT2 .1974 .75 .25 .5 .05 |
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SiT2 .1974 .75 .25 .5 .05 |
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O1 -.7546 .1355 .0730 .009 |
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O2 -.3738 .2199 .1704 .012 |
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O3 0 .5 .233 .020 |
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OH -.215 .3045 0 .010 |
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|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Prehnite |
|
Detrie T A, Ross N L, Angel R J, Gatta G D |
| |
European Journal of Mineralogy 21 (2009) 561-570 |
|
Equation of state and structure of prehnite to 9.8 GPa |
|
Locality: N'Chwaning II mine, Kuruman, South Africa |
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Note: P = 7.818 GPa |
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_database_code_amcsd 0007293 |
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4.5058 5.3618 18.208 90 90 90 Pncm |
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atom x y z occ Uiso |
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Ca 0 .5 .0995 .014 |
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Al 0 0 0 .006 |
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SiT1 .5 0 .1197 .010 |
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AlT2 .1965 .75 .25 .5 .008 |
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SiT2 .1965 .75 .25 .5 .008 |
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O1 -.757 .1346 .0724 .012 |
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O2 -.379 .223 .1693 .015 |
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O3 0 .5 .224 .025 |
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OH -.217 .307 0 .010 |
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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 (permalink) |
| |
|
Prehnite |
|
Detrie T A, Ross N L, Angel R J, Gatta G D |
| |
European Journal of Mineralogy 21 (2009) 561-570 |
|
Equation of state and structure of prehnite to 9.8 GPa |
|
Locality: N'Chwaning II mine, Kuruman, South Africa |
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Note: P = 8.207 GPa |
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_database_code_amcsd 0007294 |
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4.5008 5.356 18.196 90 90 90 Pncm |
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atom x y z occ Uiso |
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Ca 0 .5 .1002 .015 |
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Al 0 0 0 .010 |
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SiT1 .5 0 .1200 .011 |
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AlT2 .2004 .75 .25 .5 .009 |
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SiT2 .2004 .75 .25 .5 .009 |
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O1 -.7551 .1351 .0716 .007 |
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O2 -.377 .227 .1683 .021 |
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O3 0 .5 .219 .027 |
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OH -.217 .304 0 .006 |
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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 (permalink) |
| |
|
Prehnite |
|
Detrie T A, Ross N L, Angel R J, Gatta G D |
| |
European Journal of Mineralogy 21 (2009) 561-570 |
|
Equation of state and structure of prehnite to 9.8 GPa |
|
Locality: N'Chwaning II mine, Kuruman, South Africa |
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Note: P = 9.03 GPa |
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_database_code_amcsd 0007295 |
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4.4904 5.342 18.174 90 90 90 Pncm |
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atom x y z occ Uiso |
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Ca 0 .5 .0998 .011 |
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Al 0 0 0 .008 |
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SiT1 .5 0 .1193 .009 |
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AlT2 .2004 .75 .25 .5 .007 |
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SiT2 .2004 .75 .25 .5 .007 |
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O1 -.7562 .1341 .0713 .011 |
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O2 -.3783 .224 .1692 .017 |
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O3 0 .5 .230 .038 |
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OH -.217 .307 0 .006 |
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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 (permalink) |
| |
|
Prehnite |
|
Detrie T A, Ross N L, Angel R J, Gatta G D |
| |
European Journal of Mineralogy 21 (2009) 561-570 |
|
Equation of state and structure of prehnite to 9.8 GPa |
|
Locality: N'Chwaning II mine, Kuruman, South Africa |
|
Note: P = 9.345 GPa |
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_database_code_amcsd 0007296 |
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4.4868 5.335 18.168 90 90 90 Pncm |
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atom x y z occ Uiso |
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Ca 0 .5 .1006 .013 |
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Al 0 0 0 .007 |
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SiT1 .5 0 .1186 .007 |
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AlT2 .2000 .75 .25 .5 .006 |
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SiT2 .2000 .75 .25 .5 .006 |
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O1 -.7534 .1359 .0727 .012 |
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O2 -.3766 .2224 .1718 .011 |
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O3 0 .5 .228 .044 |
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OH -.217 .306 0 .010 |
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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 (permalink) |
| |
|
Prehnite |
|
Detrie T A, Ross N L, Angel R J, Gatta G D |
| |
European Journal of Mineralogy 21 (2009) 561-570 |
|
Equation of state and structure of prehnite to 9.8 GPa |
|
Locality: N'Chwaning II mine, Kuruman, South Africa |
|
Note: P = 9.75 GPa |
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_database_code_amcsd 0007297 |
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4.482 5.3201 18.161 90 90 90 Pncm |
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atom x y z occ Uiso |
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Ca 0 .5 .1005 .010 |
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Al 0 0 0 .011 |
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SiT1 .5 0 .1199 .008 |
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AlT2 .1981 .75 .25 .5 .007 |
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SiT2 .1981 .75 .25 .5 .007 |
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O1 -.757 .1362 .0722 .009 |
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O2 -.375 .223 .1699 .014 |
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O3 0 .5 .230 .053 |
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OH -.218 .309 0 .005 |
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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 (permalink) |
| |
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