Prehnite
Papike J J, Zoltai T
American Mineralogist 52 (1967) 974-984
Ordering of tetrahedral aluminium in prehnite, Ca2(Al,Fe)[Si3AlO10](OH)2
_database_code_amcsd 0000157
4.646 5.483 18.486 90 90 90 Pncm
atom x y z occ Biso
Ca 0 .5 .0992 .41
Al 0 0 0 .26
Si1 .5 0 .1195 .25
Si2 .1895 .25 .25 .5 .20
Al2 .1895 .25 .25 .5 .20
O1 .7511 .1323 .0739 .45
O2 .3686 .2130 .1716 .59
O3 0 0 .2687 1.55
OH .2054 .3018 0 .68
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Prehnite
Balic-Zunic T, Scavnicar S, Molin G
European Journal of Mineralogy 2 (1990) 731-734
Crystal structure of prehnite from Komiza
Locality: Komiza
_database_code_amcsd 0006388
4.646 5.491 18.52 90 90 90 P2cm
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca 0 .7601 .1507 1.9 .0290 .0132 .0291 .0004 0 .0010
Si1 .799 .5 0 1.6 .0250 .0090 .0260 0 0 .0010
Si2 .490 .2509 .1302 1.6 .0225 .0109 .0281 .0005 .0030 0
Al1 .179 0 0 1.7 .0230 .0100 .0310 0 0 .0010
Al2 -.002 .2628 .25 .83 1.8 .0230 .0120 .0320 -.0030 0 0
Fe2 -.002 .2628 .25 .17 1.8 .0230 .0120 .0320 -.0030 0 0
O1 -.018 .739 .0196 2.1 .0310 .0150 .0320 0 -.0040 0
O2 .611 .459 .0730 2.6 .0330 .0180 .0470 .0020 -.0010 0
O3 .350 .032 .0825 1.4 .0160 .0130 .0230 -.0010 -.0050 -.0030
O4 .245 .392 .1758 1.3 .0170 .0160 .0160 .0030 .0060 .0010
O5 .745 .130 .1766 2.7 .0400 .0090 .0550 0 .0070 -.0040
OH1 .206 .960 .25 2.0 .0350 .0180 .0220 -.0040 0 0
OH2 .790 .565 .25 1.7 .0220 .0020 .0410 .0030 0 0
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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 = 0.0001 GPa
_database_code_amcsd 0007288
4.6248 5.4825 18.475 90 90 90 Pncm
atom x y z occ Uiso
Ca 0 .5 .0986 .013
Al 0 0 0 .008
SiT1 .5 0 .1201 .007
AlT2 .1918 .75 .25 .5 .006
SiT2 .1918 .75 .25 .5 .006
O1 -.7514 .1323 .0708 .008
O2 -.3688 .2148 .1714 .011
O3 0 .5 .227 .018
OH -.2060 .2985 0 .009
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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 = 1.952 GPa
_database_code_amcsd 0007289
4.5905 5.4508 18.3970 90 90 90 Pncm
atom x y z occ Uiso
Ca 0 .5 .0996 .013
Al 0 0 0 .008
SiT1 .5 0 .1192 .006
AlT2 .1933 .75 .25 .5 .006
SiT2 .1933 .75 .25 .5 .006
O1 -.7506 .1348 .0717 .011
O2 -.3709 .2160 .1717 .012
O3 0 .5 .2302 .019
OH -.2081 .3028 0 .009
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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 = 4.279 GPa
_database_code_amcsd 0007290
4.5539 5.4148 18.317 90 90 90 Pncm
atom x y z occ Uiso
Ca 0 .5 .0996 .013
Al 0 0 0 .007
SiT1 .5 0 .1192 .007
AlT2 .1934 .75 .25 .5 .006
SiT2 .1934 .75 .25 .5 .006
O1 -.7506 .1348 .0717 .011
O2 -.3709 .2160 .1717 .011
O3 0 .5 .2302 .018
OH -.2081 .3028 0 .009
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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 = 5.111 GPa
_database_code_amcsd 0007291
4.5414 5.4023 18.2913 90 90 90 Pncm
atom x y z occ Uiso
Ca 0 .5 .0996 .012
Al 0 0 0 .008
SiT1 .5 0 .1187 .006
AlT2 .1963 .75 .25 .5 .005
SiT2 .1963 .75 .25 .5 .005
O1 -.7537 .1355 .0712 .010
O2 -.3732 .2192 .1718 .012
O3 0 .5 .232 .019
OH -.214 .3045 0 .009
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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 = 6.408 GPa
_database_code_amcsd 0007292
4.5236 5.3828 18.2482 90 90 90 Pncm
atom x y z occ Uiso
Ca 0 .5 .0998 .012
Al 0 0 0 .009
SiT1 .5 0 .1188 .006
AlT2 .1974 .75 .25 .5 .05
SiT2 .1974 .75 .25 .5 .05
O1 -.7546 .1355 .0730 .009
O2 -.3738 .2199 .1704 .012
O3 0 .5 .233 .020
OH -.215 .3045 0 .010
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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 = 7.818 GPa
_database_code_amcsd 0007293
4.5058 5.3618 18.208 90 90 90 Pncm
atom x y z occ Uiso
Ca 0 .5 .0995 .014
Al 0 0 0 .006
SiT1 .5 0 .1197 .010
AlT2 .1965 .75 .25 .5 .008
SiT2 .1965 .75 .25 .5 .008
O1 -.757 .1346 .0724 .012
O2 -.379 .223 .1693 .015
O3 0 .5 .224 .025
OH -.217 .307 0 .010
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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 = 8.207 GPa
_database_code_amcsd 0007294
4.5008 5.356 18.196 90 90 90 Pncm
atom x y z occ Uiso
Ca 0 .5 .1002 .015
Al 0 0 0 .010
SiT1 .5 0 .1200 .011
AlT2 .2004 .75 .25 .5 .009
SiT2 .2004 .75 .25 .5 .009
O1 -.7551 .1351 .0716 .007
O2 -.377 .227 .1683 .021
O3 0 .5 .219 .027
OH -.217 .304 0 .006
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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 = 9.03 GPa
_database_code_amcsd 0007295
4.4904 5.342 18.174 90 90 90 Pncm
atom x y z occ Uiso
Ca 0 .5 .0998 .011
Al 0 0 0 .008
SiT1 .5 0 .1193 .009
AlT2 .2004 .75 .25 .5 .007
SiT2 .2004 .75 .25 .5 .007
O1 -.7562 .1341 .0713 .011
O2 -.3783 .224 .1692 .017
O3 0 .5 .230 .038
OH -.217 .307 0 .006
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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
_database_code_amcsd 0007296
4.4868 5.335 18.168 90 90 90 Pncm
atom x y z occ Uiso
Ca 0 .5 .1006 .013
Al 0 0 0 .007
SiT1 .5 0 .1186 .007
AlT2 .2000 .75 .25 .5 .006
SiT2 .2000 .75 .25 .5 .006
O1 -.7534 .1359 .0727 .012
O2 -.3766 .2224 .1718 .011
O3 0 .5 .228 .044
OH -.217 .306 0 .010
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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
_database_code_amcsd 0007297
4.482 5.3201 18.161 90 90 90 Pncm
atom x y z occ Uiso
Ca 0 .5 .1005 .010
Al 0 0 0 .011
SiT1 .5 0 .1199 .008
AlT2 .1981 .75 .25 .5 .007
SiT2 .1981 .75 .25 .5 .007
O1 -.757 .1362 .0722 .009
O2 -.375 .223 .1699 .014
O3 0 .5 .230 .053
OH -.218 .309 0 .005
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