|
Zoisite |
 |
Liebscher A, Gottschalk M, Franz G |
 |
American Mineralogist 87 (2002) 909-921 |
|
The substitution Fe-Al and the isosymmetric displacive phase transition |
|
in synthetic zoisite: A powder X-ray and infrared spectroscopic study |
|
Sample: Zo3, X(Fe/(Fe+Al-2)) = 0.0 |
|
_database_code_amcsd 0002855 |
|
16.1913 5.5488 10.0320 90 90 90 Pnma |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CaA1 .3666 .25 .4376 .0074 .0098 .0069 0 .0009 0 |
|
CaA2 .4521 .25 .1130 .0125 .0110 .0077 0 -.0001 0 |
|
AlM1,2 .2498 .9972 .1905 .0047 .0040 .0060 -.0001 .0002 -.0003 |
|
AlM3 .1057 .75 .3013 .0035 .0061 .0074 0 -.0005 0 |
|
SiT1 .0817 .25 .1054 .0039 .0043 .0053 0 -.0006 0 |
|
SiT2 .4101 .75 .2816 .0044 .0049 .0051 0 -.0003 0 |
|
SiT3 .1605 .25 .4349 .0049 .0043 .0047 0 .0005 0 |
|
O1 .1303 -.004 .1434 .0059 .0055 .0107 .0003 -.0019 -.0003 |
|
O2 .1018 .0112 .4288 .0073 .0078 .0083 -.0019 .0016 -.0006 |
|
O3 .3601 .992 .2439 .0067 .0042 .0118 -.0004 -.0017 .0001 |
|
O4 .2212 .75 .3016 .0076 .0034 .0082 0 -.0009 0 |
|
O5 .2265 .25 .3115 .0062 .0047 .0050 0 .0010 0 |
|
O6 .2724 .75 .0600 .0045 .0073 .0050 0 -.0009 0 |
|
O7 .9892 .25 .1636 .006 .0100 .0128 0 .0011 0 |
|
O8 .9985 .75 .2965 .008 .0126 .0141 0 -.0026 0 |
|
O9 .4190 .75 .4425 .019 .023 .0073 0 -.0002 0 |
|
O10 .2676 .25 .0741 .013 .0058 .0063 0 .0014 0 |
|
H .26 .25 .95 .050 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zoisite |
|
Liebscher A, Gottschalk M, Franz G |
|
American Mineralogist 87 (2002) 909-921 |
|
The substitution Fe-Al and the isosymmetric displacive phase transition |
|
in synthetic zoisite: A powder X-ray and infrared spectroscopic study |
|
Sample: Zo1, X(Fe/(Fe+Al-2)) = 0.035 |
|
_database_code_amcsd 0002856 |
|
16.1900 5.5511 10.0332 90 90 90 Pnma |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CaA1 .3671 .25 .4380 .0074 .0098 .0069 0 .0009 0 |
|
CaA2 .4515 .25 .1123 .0125 .0110 .0077 0 -.0001 0 |
|
AlM1,2 .2509 .9957 .1899 .0047 .0040 .0060 -.0001 .0002 -.0003 |
|
AlM3 .1039 .75 .3015 .965 .0035 .0061 .0074 0 -.0005 0 |
|
FeM3 .1039 .75 .3015 .035 .0035 .0061 .0074 0 -.0005 0 |
|
SiT1 .0817 .25 .1038 .0039 .0043 .0053 0 -.0006 0 |
|
SiT2 .4106 .75 .2841 .0044 .0049 .0051 0 -.0003 0 |
|
SiT3 .1610 .25 .4358 .0049 .0043 .0047 0 .0005 0 |
|
O1 .1323 -.006 .1424 .0059 .0055 .0107 .0003 -.0019 -.0003 |
|
O2 .1034 .012 .4294 .0073 .0078 .0083 -.0019 .0016 -.0006 |
|
O3 .3601 .996 .2443 .0067 .0042 .0118 -.0004 -.0017 .0001 |
|
O4 .2212 .75 .303 .0076 .0034 .0082 0 -.0009 0 |
|
O5 .2257 .25 .313 .0062 .0047 .0050 0 .0010 0 |
|
O6 .2718 .75 .062 .0045 .0073 .0050 0 -.0009 0 |
|
O7 .9916 .25 .165 .006 .0100 .0128 0 .0011 0 |
|
O8 .9960 .75 .299 .008 .0126 .0141 0 -.0026 0 |
|
O9 .4203 .75 .439 .019 .023 .0073 0 -.0002 0 |
|
O10 .2664 .25 .0701 .013 .0058 .0063 0 .0014 0 |
|
H .26 .25 .95 .050 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zoisite |
|
Liebscher A, Gottschalk M, Franz G |
|
American Mineralogist 87 (2002) 909-921 |
|
The substitution Fe-Al and the isosymmetric displacive phase transition |
|
in synthetic zoisite: A powder X-ray and infrared spectroscopic study |
|
Sample: Zo2, X(Fe/(Fe+Al-2)) = 0.062 |
|
_database_code_amcsd 0002857 |
|
16.2009 5.5536 10.0336 90 90 90 Pnma |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CaA1 .3671 .25 .4375 .0074 .0098 .0069 0 .0009 0 |
|
CaA2 .4517 .25 .1131 .0125 .0110 .0077 0 -.0001 0 |
|
AlM1,2 .2500 .9966 .1902 .0047 .0040 .0060 -.0001 .0002 -.0003 |
|
AlM3 .1051 .75 .3011 .938 .0035 .0061 .0074 0 -.0005 0 |
|
FeM3 .1051 .75 .3011 .062 .0035 .0061 .0074 0 -.0005 0 |
|
SiT1 .0813 .25 .1052 .0039 .0043 .0053 0 -.0006 0 |
|
SiT2 .4105 .75 .2830 .0044 .0049 .0051 0 -.0003 0 |
|
SiT3 .1603 .25 .4365 .0049 .0043 .0047 0 .0005 0 |
|
O1 .1303 -.006 .1430 .0059 .0055 .0107 .0003 -.0019 -.0003 |
|
O2 .1024 .009 .4308 .0073 .0078 .0083 -.0019 .0016 -.0006 |
|
O3 .3598 .994 .2442 .0067 .0042 .0118 -.0004 -.0017 .0001 |
|
O4 .2203 .75 .3028 .0076 .0034 .0082 0 -.0009 0 |
|
O5 .2244 .25 .3137 .0062 .0047 .0050 0 .0010 0 |
|
O6 .2712 .75 .062 .0045 .0073 .0050 0 -.0009 0 |
|
O7 .9917 .25 .165 .006 .0100 .0128 0 .0011 0 |
|
O8 .9976 .75 .295 .008 .0126 .0141 0 -.0026 0 |
|
O9 .4204 .75 .438 .019 .023 .0073 0 -.0002 0 |
|
O10 .2681 .25 .0730 .013 .0058 .0063 0 .0014 0 |
|
H .26 .25 .95 .050 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zoisite |
|
Liebscher A, Gottschalk M, Franz G |
|
American Mineralogist 87 (2002) 909-921 |
|
The substitution Fe-Al and the isosymmetric displacive phase transition |
|
in synthetic zoisite: A powder X-ray and infrared spectroscopic study |
|
Sample: Zo4, X(Fe/(Fe+Al-2)) = 0.096 |
|
_database_code_amcsd 0002858 |
|
16.1983 5.5564 10.0376 90 90 90 Pnma |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CaA1 .3668 .25 .4361 .0074 .0098 .0069 0 .0009 0 |
|
CaA2 .4518 .25 .1113 .0125 .0110 .0077 0 -.0001 0 |
|
AlM1,2 .2510 .995 .1904 .0047 .0040 .0060 -.0001 .0002 -.0003 |
|
AlM3 .1058 .75 .3027 .904 .0035 .0061 .0074 0 -.0005 0 |
|
FeM3 .1058 .75 .3027 .096 .0035 .0061 .0074 0 -.0005 0 |
|
SiT1 .0834 .25 .1000 .0039 .0043 .0053 0 -.0006 0 |
|
SiT2 .4121 .75 .2819 .0044 .0049 .0051 0 -.0003 0 |
|
SiT3 .1615 .25 .4385 .0049 .0043 .0047 0 .0005 0 |
|
O1 .1334 -.017 .1442 .0059 .0055 .0107 .0003 -.0019 -.0003 |
|
O2 .1028 .007 .433 .0073 .0078 .0083 -.0019 .0016 -.0006 |
|
O3 .3587 .995 .2450 .0067 .0042 .0118 -.0004 -.0017 .0001 |
|
O4 .221 .75 .305 .0076 .0034 .0082 0 -.0009 0 |
|
O5 .225 .25 .309 .0062 .0047 .0050 0 .0010 0 |
|
O6 .2738 .75 .061 .0045 .0073 .0050 0 -.0009 0 |
|
O7 .994 .25 .169 .006 .0100 .0128 0 .0011 0 |
|
O8 .993 .75 .301 .008 .0126 .0141 0 -.0026 0 |
|
O9 .4212 .75 .435 .019 .023 .0073 0 -.0002 0 |
|
O10 .269 .25 .074 .013 .0058 .0063 0 .0014 0 |
|
H .26 .25 .95 .050 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zoisite |
|
Liebscher A, Gottschalk M, Franz G |
|
American Mineralogist 87 (2002) 909-921 |
|
The substitution Fe-Al and the isosymmetric displacive phase transition |
|
in synthetic zoisite: A powder X-ray and infrared spectroscopic study |
|
Sample: Zo5, X(Fe/(Fe+Al-2)) = 0.116 |
|
_database_code_amcsd 0002859 |
|
16.1964 5.5580 10.0400 90 90 90 Pnma |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CaA1 .3652 .25 .4376 .0074 .0098 .0069 0 .0009 0 |
|
CaA2 .4531 .25 .1120 .0125 .0110 .0077 0 -.0001 0 |
|
AlM1,2 .2516 .993 .1887 .0047 .0040 .0060 -.0001 .0002 -.0003 |
|
AlM3 .1059 .75 .303 .884 .0035 .0061 .0074 0 -.0005 0 |
|
FeM3 .1059 .75 .303 .116 .0035 .0061 .0074 0 -.0005 0 |
|
SiT1 .0842 .25 .100 .0039 .0043 .0053 0 -.0006 0 |
|
SiT2 .4139 .75 .2875 .0044 .0049 .0051 0 -.0003 0 |
|
SiT3 .1596 .25 .434 .0049 .0043 .0047 0 .0005 0 |
|
O1 .136 -.030 .143 .0059 .0055 .0107 .0003 -.0019 -.0003 |
|
O2 .1047 .004 .429 .0073 .0078 .0083 -.0019 .0016 -.0006 |
|
O3 .359 .993 .247 .0067 .0042 .0118 -.0004 -.0017 .0001 |
|
O4 .224 .75 .305 .0076 .0034 .0082 0 -.0009 0 |
|
O5 .226 .25 .304 .0062 .0047 .0050 0 .0010 0 |
|
O6 .275 .75 .060 .0045 .0073 .0050 0 -.0009 0 |
|
O7 .999 .25 .175 .006 .0100 .0128 0 .0011 0 |
|
O8 .985 .75 .302 .008 .0126 .0141 0 -.0026 0 |
|
O9 .423 .75 .434 .019 .023 .0073 0 -.0002 0 |
|
O10 .270 .25 .067 .013 .0058 .0063 0 .0014 0 |
|
H .26 .25 .95 .050 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zoisite |
|
Dorsam G, Liebscher A, Franz G, Gottschalk M |
|
American Mineralogist 92 (2007) 1133-1147 |
|
Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH |
|
solid solution series of zoisite and clinozoisite |
|
Locality: synthetic |
|
Sample: Run no. = Au32, X(Sr) = .06 |
|
_database_code_amcsd 0004382 |
|
16.1941 5.5505 10.0483 90 90 90 Pnma |
|
atom x y z occ |
|
SrA1 .3660 .25 .438 .02 |
|
CaA1 .3660 .25 .438 .98 |
|
SrA2 .4534 .25 .113 .09 |
|
CaA2 .4534 .25 .113 .91 |
|
Al1 .2484 .997 .189 |
|
Al2 .107 .75 .297 |
|
Si1 .083 .25 .100 |
|
Si2 .413 .75 .279 |
|
Si3 .158 .25 .432 |
|
O1 .130 .000 .148 |
|
O2 .105 .012 .427 |
|
O3 .359 .985 .244 |
|
O4 .220 .75 .299 |
|
O5 .226 .25 .318 |
|
O6 .274 .75 .065 |
|
O7 .995 .25 .162 |
|
O8 .006 .75 .294 |
|
O9 .421 .75 .436 |
|
O10 .266 .25 .078 |
|
H .26 .25 .95 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zoisite |
|
Dorsam G, Liebscher A, Franz G, Gottschalk M |
|
American Mineralogist 92 (2007) 1133-1147 |
|
Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH |
|
solid solution series of zoisite and clinozoisite |
|
Locality: synthetic |
|
Sample: Run no. = Au40, X(Sr) = .13 |
|
_database_code_amcsd 0004383 |
|
16.2023 5.5512 10.0589 90 90 90 Pnma |
|
atom x y z occ |
|
SrA1 .3663 .25 .4369 .04 |
|
CaA1 .3663 .25 .4369 .96 |
|
SrA2 .4534 .25 .1125 .22 |
|
CaA2 .4534 .25 .1125 .78 |
|
Al1 .2492 .9968 .1883 |
|
Al2 .1081 .75 .295 |
|
Si1 .0825 .25 .1012 |
|
Si2 .4114 .75 .2794 |
|
Si3 .1589 .25 .4316 |
|
O1 .1290 .002 .1476 |
|
O2 .1029 .0120 .4260 |
|
O3 .3598 .990 .2428 |
|
O4 .2201 .75 .298 |
|
O5 .2286 .25 .315 |
|
O6 .2739 .75 .059 |
|
O7 .9915 .25 .161 |
|
O8 .001 .75 .293 |
|
O9 .4205 .75 .444 |
|
O10 .2669 .25 .078 |
|
H .26 .25 .95 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zoisite |
|
Dorsam G, Liebscher A, Franz G, Gottschalk M |
|
American Mineralogist 92 (2007) 1133-1147 |
|
Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH |
|
solid solution series of zoisite and clinozoisite |
|
Locality: synthetic |
|
Sample: Run no. = Au45, X(Sr) = .16 |
|
_database_code_amcsd 0004384 |
|
16.2100 5.5529 10.0695 90 90 90 Pnma |
|
atom x y z occ |
|
SrA1 .3665 .25 .437 .03 |
|
CaA1 .3665 .25 .437 .97 |
|
SrA2 .4541 .25 .1129 .29 |
|
CaA2 .4541 .25 .1129 .71 |
|
Al1 .2490 .998 .1861 |
|
Al2 .106 .75 .295 |
|
Si1 .083 .25 .101 |
|
Si2 .4125 .75 .278 |
|
Si3 .1597 .25 .432 |
|
O1 .130 .002 .149 |
|
O2 .104 .015 .425 |
|
O3 .360 .984 .243 |
|
O4 .219 .75 .297 |
|
O5 .228 .25 .317 |
|
O6 .273 .75 .065 |
|
O7 .994 .25 .165 |
|
O8 .004 .75 .291 |
|
O9 .420 .75 .447 |
|
O10 .267 .25 .078 |
|
H .26 .25 .95 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zoisite |
|
Dorsam G, Liebscher A, Franz G, Gottschalk M |
|
American Mineralogist 92 (2007) 1133-1147 |
|
Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH |
|
solid solution series of zoisite and clinozoisite |
|
Locality: synthetic |
|
Sample: Run no. = Pt4, X(Sr) = .22 |
|
_database_code_amcsd 0004385 |
|
16.2384 5.5580 10.0877 90 90 90 Pnma |
|
atom x y z occ |
|
SrA1 .3665 .25 .4363 .03 |
|
CaA1 .3665 .25 .4363 .97 |
|
SrA2 .4552 .25 .1129 .40 |
|
CaA2 .4552 .25 .1129 .60 |
|
Al1 .2499 .9961 .1877 |
|
Al2 .1066 .75 .2978 |
|
Si1 .0826 .25 .1037 |
|
Si2 .4113 .75 .2818 |
|
Si3 .1606 .25 .4316 |
|
O1 .1296 .0013 .1451 |
|
O2 .1034 .0150 .4248 |
|
O3 .3597 .9840 .2442 |
|
O4 .2189 .75 .2954 |
|
O5 .2276 .25 .3129 |
|
O6 .2721 .75 .0578 |
|
O7 .9932 .25 .1587 |
|
O8 .9990 .75 .2928 |
|
O9 .4179 .75 .4438 |
|
O10 .2678 .25 .0767 |
|
H .26 .25 .95 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zoisite |
|
Dorsam G, Liebscher A, Franz G, Gottschalk M |
|
American Mineralogist 92 (2007) 1133-1147 |
|
Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH |
|
solid solution series of zoisite and clinozoisite |
|
Locality: synthetic |
|
Sample: Run no. = Au31, X(Sr) = .25 |
|
_database_code_amcsd 0004386 |
|
16.2278 5.5576 10.0893 90 90 90 Pnma |
|
atom x y z occ |
|
SrA1 .3661 .25 .436 .06 |
|
CaA1 .3661 .25 .436 .94 |
|
SrA2 .4551 .25 .1118 .44 |
|
CaA2 .4551 .25 .1118 .56 |
|
Al1 .2493 .997 .184 |
|
Al2 .107 .75 .294 |
|
Si1 .082 .25 .097 |
|
Si2 .414 .75 .279 |
|
Si3 .158 .25 .430 |
|
O1 .130 .005 .145 |
|
O2 .105 .019 .424 |
|
O3 .360 .989 .241 |
|
O4 .223 .75 .302 |
|
O5 .230 .25 .317 |
|
O6 .273 .75 .066 |
|
O7 .994 .25 .161 |
|
O8 .004 .75 .294 |
|
O9 .419 .75 .445 |
|
O10 .264 .25 .077 |
|
H .26 .25 .95 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zoisite |
|
Dorsam G, Liebscher A, Franz G, Gottschalk M |
|
American Mineralogist 92 (2007) 1133-1147 |
|
Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH |
|
solid solution series of zoisite and clinozoisite |
|
Locality: synthetic |
|
Sample: Run no. = Au34, X(Sr) = .24 |
|
_database_code_amcsd 0004387 |
|
16.2383 5.5603 10.1019 90 90 90 Pnma |
|
atom x y z occ |
|
SrA1 .3663 .25 .4374 .02 |
|
CaA1 .3663 .25 .4374 .98 |
|
SrA2 .4558 .25 .1124 .48 |
|
CaA2 .4558 .25 .1124 .52 |
|
Al1 .2510 .996 .1850 |
|
Al2 .1073 .75 .294 |
|
Si1 .0818 .25 .100 |
|
Si2 .4114 .75 .278 |
|
Si3 .1599 .25 .432 |
|
O1 .1320 .006 .148 |
|
O2 .1050 .015 .422 |
|
O3 .362 .991 .245 |
|
O4 .223 .75 .295 |
|
O5 .230 .25 .313 |
|
O6 .273 .75 .065 |
|
O7 .995 .25 .162 |
|
O8 .000 .75 .291 |
|
O9 .418 .75 .441 |
|
O10 .267 .25 .075 |
|
H .26 .25 .95 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zoisite |
|
Dorsam G, Liebscher A, Franz G, Gottschalk M |
|
American Mineralogist 92 (2007) 1133-1147 |
|
Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH |
|
solid solution series of zoisite and clinozoisite |
|
Locality: synthetic |
|
Sample: Run no. = Au30, X(Sr) = .32 |
|
_database_code_amcsd 0004388 |
|
16.2435 5.5592 10.1083 90 90 90 Pnma |
|
atom x y z occ |
|
SrA1 .3668 .25 .4376 .04 |
|
CaA1 .3668 .25 .4376 .96 |
|
SrA2 .4556 .25 .1124 .59 |
|
CaA2 .4556 .25 .1124 .41 |
|
Al1 .2508 .996 .1858 |
|
Al2 .1080 .75 .293 |
|
Si1 .0815 .25 .100 |
|
Si2 .4117 .75 .278 |
|
Si3 .1590 .25 .428 |
|
O1 .1305 .006 .146 |
|
O2 .1048 .020 .422 |
|
O3 .3613 .988 .242 |
|
O4 .223 .75 .292 |
|
O5 .228 .25 .313 |
|
O6 .272 .75 .061 |
|
O7 .994 .25 .162 |
|
O8 .001 .75 .289 |
|
O9 .420 .75 .445 |
|
O10 .267 .25 .078 |
|
H .26 .25 .95 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zoisite |
|
Dorsam G, Liebscher A, Franz G, Gottschalk M |
|
American Mineralogist 92 (2007) 1133-1147 |
|
Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH |
|
solid solution series of zoisite and clinozoisite |
|
Locality: synthetic |
|
Sample: Run no. = Au42, X(Sr) = .37 |
|
_database_code_amcsd 0004389 |
|
16.253 5.5630 10.1196 90 90 90 Pnma |
|
atom x y z occ |
|
SrA1 .3668 .25 .439 .09 |
|
CaA1 .3668 .25 .439 .91 |
|
SrA2 .4554 .25 .1120 .67 |
|
CaA2 .4554 .25 .1120 .33 |
|
Al1 .250 .996 .185 |
|
Al2 .107 .75 .293 |
|
Si1 .082 .25 .100 |
|
Si2 .411 .75 .277 |
|
Si3 .159 .25 .429 |
|
O1 .130 .002 .148 |
|
O2 .105 .024 .420 |
|
O3 .364 .987 .244 |
|
O4 .225 .75 .298 |
|
O5 .228 .25 .314 |
|
O6 .272 .75 .070 |
|
O7 .992 .25 .153 |
|
O8 .002 .75 .291 |
|
O9 .417 .75 .434 |
|
O10 .265 .25 .075 |
|
H .26 .25 .95 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zoisite |
|
Dorsam G, Liebscher A, Franz G, Gottschalk M |
|
American Mineralogist 92 (2007) 1133-1147 |
|
Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH |
|
solid solution series of zoisite and clinozoisite |
|
Locality: synthetic |
|
Sample: Run no. = Pt3, X(Sr) = .42 |
|
_database_code_amcsd 0004390 |
|
16.2798 5.5676 10.1388 90 90 90 Pnma |
|
atom x y z occ |
|
SrA1 .3665 .25 .4363 .13 |
|
CaA1 .3665 .25 .4363 .87 |
|
SrA2 .4568 .25 .1120 .72 |
|
CaA2 .4568 .25 .1120 .28 |
|
Al1 .2504 .9959 .1875 |
|
Al2 .1072 .75 .2944 |
|
Si1 .0834 .25 .1031 |
|
Si2 .4105 .75 .2813 |
|
Si3 .1614 .25 .4290 |
|
O1 .1311 .0014 .1452 |
|
O2 .1038 .0166 .4225 |
|
O3 .3594 .9849 .2449 |
|
O4 .2201 .75 .2960 |
|
O5 .2276 .25 .3107 |
|
O6 .2726 .75 .0549 |
|
O7 .9948 .25 .1521 |
|
O8 .9985 .75 .2914 |
|
O9 .4159 .75 .4403 |
|
O10 .2671 .25 .0755 |
|
H .26 .25 .95 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Zoisite |
|
Dorsam G, Liebscher A, Franz G, Gottschalk M |
|
American Mineralogist 92 (2007) 1133-1147 |
|
Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH |
|
solid solution series of zoisite and clinozoisite |
|
Locality: synthetic |
|
Sample: Run no. = Pt36, X(Sr) = .52 |
|
_database_code_amcsd 0004391 |
|
16.2864 5.5719 10.1606 90 90 90 Pnma |
|
atom x y z occ |
|
SrA1 .3665 .25 .4363 .20 |
|
CaA1 .3665 .25 .4363 .80 |
|
SrA2 .4571 .25 .1107 .84 |
|
CaA2 .4571 .25 .1107 .16 |
|
Al1 .2510 .9962 .1870 |
|
Al2 .1072 .75 .2938 |
|
Si1 .0836 .25 .1012 |
|
Si2 .4110 .75 .2807 |
|
Si3 .1619 .25 .4278 |
|
O1 .1314 .0026 .1439 |
|
O2 .1060 .0191 .4210 |
|
O3 .3606 .9845 .2413 |
|
O4 .2205 .75 .2927 |
|
O5 .2312 .25 .3111 |
|
O6 .2717 .75 .0569 |
|
O7 .9927 .25 .1542 |
|
O8 .0028 .75 .2905 |
|
O9 .4167 .75 .4445 |
|
O10 .2705 .25 .0756 |
|
H .26 .25 .95 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Zoisite |
|
Dorsam G, Liebscher A, Franz G, Gottschalk M |
|
American Mineralogist 92 (2007) 1133-1147 |
|
Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH |
|
solid solution series of zoisite and clinozoisite |
|
Locality: synthetic |
|
Sample: Run no. = Pt2, X(Sr) = .63 |
|
_database_code_amcsd 0004392 |
|
16.3048 5.5769 10.1819 90 90 90 Pnma |
|
atom x y z occ |
|
SrA1 .3673 .25 .4386 .38 |
|
CaA1 .3673 .25 .4386 .62 |
|
SrA2 .4570 .25 .1112 .89 |
|
CaA2 .4570 .25 .1112 .11 |
|
Al1 .2515 .9954 .1877 |
|
Al2 .1080 .75 .2966 |
|
Si1 .0840 .25 .1030 |
|
Si2 .4113 .75 .2809 |
|
Si3 .1615 .25 .4285 |
|
O1 .1327 .003 .1450 |
|
O2 .1058 .018 .4214 |
|
O3 .3608 .986 .2434 |
|
O4 .2203 .75 .2962 |
|
O5 .2288 .25 .3137 |
|
O6 .2727 .75 .056 |
|
O7 .9959 .25 .157 |
|
O8 .0006 .75 .285 |
|
O9 .4146 .75 .445 |
|
O10 .2703 .25 .075 |
|
H .26 .25 .95 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Zoisite |
|
Dorsam G, Liebscher A, Franz G, Gottschalk M |
|
American Mineralogist 92 (2007) 1133-1147 |
|
Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH |
|
solid solution series of zoisite and clinozoisite |
|
Locality: synthetic |
|
Sample: Run no. = Au23, X(Sr) = .66 |
|
_database_code_amcsd 0004393 |
|
16.3095 5.5814 10.1907 90 90 90 Pnma |
|
atom x y z occ |
|
SrA1 .3677 .25 .4386 .41 |
|
CaA1 .3677 .25 .4386 .59 |
|
SrA2 .4568 .25 .1099 .92 |
|
CaA2 .4568 .25 .1099 .08 |
|
Al1 .2515 .9962 .1873 |
|
Al2 .1082 .75 .2973 |
|
Si1 .0841 .25 .0991 |
|
Si2 .4108 .75 .2804 |
|
Si3 .1621 .25 .4278 |
|
O1 .1326 .003 .1491 |
|
O2 .1077 .024 .4176 |
|
O3 .3608 .982 .2441 |
|
O4 .2195 .75 .295 |
|
O5 .2294 .25 .311 |
|
O6 .2723 .75 .063 |
|
O7 .9933 .25 .158 |
|
O8 .0050 .75 .290 |
|
O9 .4149 .75 .451 |
|
O10 .2699 .25 .0819 |
|
H .26 .25 .95 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zoisite |
|
Dorsam G, Liebscher A, Franz G, Gottschalk M |
|
American Mineralogist 92 (2007) 1133-1147 |
|
Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH |
|
solid solution series of zoisite and clinozoisite |
|
Locality: synthetic |
|
Sample: Run no. = Au22, X(Sr) = .77 |
|
_database_code_amcsd 0004394 |
|
16.3229 5.5871 10.2132 90 90 90 Pnma |
|
atom x y z occ |
|
SrA1 .3683 .25 .4385 .61 |
|
CaA1 .3683 .25 .4385 .39 |
|
SrA2 .4566 .25 .1113 .93 |
|
CaA2 .4566 .25 .1113 .07 |
|
Al1 .2512 .995 .1876 |
|
Al2 .1093 .75 .295 |
|
Si1 .0870 .25 .103 |
|
Si2 .4128 .75 .282 |
|
Si3 .1634 .25 .427 |
|
O1 .1340 .002 .148 |
|
O2 .1077 .024 .423 |
|
O3 .3604 .978 .242 |
|
O4 .223 .75 .293 |
|
O5 .228 .25 .313 |
|
O6 .270 .75 .058 |
|
O7 .997 .25 .155 |
|
O8 .005 .75 .287 |
|
O9 .414 .75 .450 |
|
O10 .273 .25 .080 |
|
H .26 .25 .95 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zoisite |
|
Dorsam G, Liebscher A, Franz G, Gottschalk M |
|
American Mineralogist 92 (2007) 1133-1147 |
|
Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH |
|
solid solution series of zoisite and clinozoisite |
|
Locality: synthetic |
|
Sample: Run no. = Au33, X(Sr) = .86 |
|
_database_code_amcsd 0004395 |
|
16.3432 5.5943 10.2378 90 90 90 Pnma |
|
atom x y z occ |
|
SrA1 .3686 .25 .4410 .76 |
|
CaA1 .3686 .25 .4410 .24 |
|
SrA2 .4573 .25 .1109 .96 |
|
CaA2 .4573 .25 .1109 .04 |
|
Al1 .2525 .996 .1896 |
|
Al2 .1102 .75 .2966 |
|
Si1 .0873 .25 .1054 |
|
Si2 .4122 .75 .2831 |
|
Si3 .1626 .25 .4291 |
|
O1 .1348 .000 .149 |
|
O2 .1072 .021 .421 |
|
O3 .3613 .983 .242 |
|
O4 .223 .75 .297 |
|
O5 .233 .25 .313 |
|
O6 .2753 .75 .058 |
|
O7 .998 .25 .155 |
|
O8 .004 .75 .286 |
|
O9 .4159 .75 .445 |
|
O10 .2743 .25 .076 |
|
H .26 .25 .95 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zoisite |
|
Dorsam G, Liebscher A, Franz G, Gottschalk M |
|
American Mineralogist 92 (2007) 1133-1147 |
|
Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH |
|
solid solution series of zoisite and clinozoisite |
|
Locality: synthetic |
|
Sample: Run no. = Au44, X(Sr) = .87 |
|
_database_code_amcsd 0004396 |
|
16.3376 5.5936 10.2407 90 90 90 Pnma |
|
atom x y z occ |
|
SrA1 .3685 .25 .4408 .82 |
|
CaA1 .3685 .25 .4408 .18 |
|
SrA2 .4569 .25 .1108 .92 |
|
CaA2 .4569 .25 .1108 .08 |
|
Al1 .2531 .9972 .1889 |
|
Al2 .1091 .75 .2976 |
|
Si1 .0857 .25 .1034 |
|
Si2 .4121 .75 .2836 |
|
Si3 .1637 .25 .4304 |
|
O1 .1349 .0019 .1492 |
|
O2 .1073 .0186 .4214 |
|
O3 .3621 .983 .2417 |
|
O4 .2239 .75 .2994 |
|
O5 .2304 .25 .3106 |
|
O6 .2741 .75 .0586 |
|
O7 .9966 .25 .1557 |
|
O8 .0050 .75 .2838 |
|
O9 .4158 .75 .4472 |
|
O10 .2721 .25 .0786 |
|
H .26 .25 .95 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zoisite |
|
Dorsam G, Liebscher A, Franz G, Gottschalk M |
|
American Mineralogist 92 (2007) 1133-1147 |
|
Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH |
|
solid solution series of zoisite and clinozoisite |
|
Locality: synthetic |
|
Sample: Run no. = Au21, X(Sr) = 1 |
|
_database_code_amcsd 0004397 |
|
16.3548 5.5985 10.2600 90 90 90 Pnma |
|
atom x y z |
|
SrA1 .3685 .25 .4421 |
|
SrA2 .4570 .25 .1105 |
|
Al1 .2533 .9944 .1912 |
|
Al2 .1102 .75 .2977 |
|
Si1 .0876 .25 .1057 |
|
Si2 .4124 .75 .2823 |
|
Si3 .1634 .25 .4311 |
|
O1 .1361 .0040 .1496 |
|
O2 .1071 .0193 .4188 |
|
O3 .3631 .9793 .2409 |
|
O4 .2226 .75 .2952 |
|
O5 .2304 .25 .3132 |
|
O6 .2762 .75 .0588 |
|
O7 .0018 .25 .1593 |
|
O8 .0056 .75 .2839 |
|
O9 .4146 .75 .4503 |
|
O10 .2742 .25 .0809 |
|
H .26 .25 .95 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinozoisite |
|
Dorsam G, Liebscher A, Franz G, Gottschalk M |
|
American Mineralogist 92 (2007) 1133-1147 |
|
Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH |
|
solid solution series of zoisite and clinozoisite |
|
Locality: synthetic |
|
Sample: Run no. = Au32, X(Sr) = .078 |
|
_database_code_amcsd 0004398 |
|
8.8652 5.5753 10.1449 90 115.42 90 P2_1/m |
|
atom x y z occ |
|
SrA1 .760 .75 .156 .029 |
|
CaA1 .760 .75 .156 .971 |
|
SrA2 .604 .75 .423 .128 |
|
CaA2 .604 .75 .423 .872 |
|
Al1 0 0 0 |
|
Al2 0 0 .5 |
|
Al3 .286 .25 .224 |
|
Si1 .333 .75 .044 |
|
Si2 .679 .25 .277 |
|
Si3 .181 .75 .316 |
|
O1 .231 .000 .045 |
|
O2 .300 .985 .358 |
|
O3 .782 .007 .346 |
|
O4 .045 .25 .119 |
|
O5 .038 .75 .141 |
|
O6 .052 .75 .387 |
|
O7 .517 .75 .159 |
|
O8 .511 .25 .299 |
|
O9 .646 .25 .110 |
|
O10 .071 .25 .408 |
|
H .046 .25 .341 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinozoisite |
|
Dorsam G, Liebscher A, Franz G, Gottschalk M |
|
American Mineralogist 92 (2007) 1133-1147 |
|
Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH |
|
solid solution series of zoisite and clinozoisite |
|
Locality: synthetic |
|
Sample: Run no. = Au45, X(Sr) = .15 |
|
_database_code_amcsd 0004399 |
|
8.8688 5.5739 10.1696 90 115.29 90 P2_1/m |
|
atom x y z occ |
|
CaA1 .760 .75 .159 |
|
SrA2 .603 .75 .422 .300 |
|
CaA2 .603 .75 .422 .700 |
|
Al1 0 0 0 |
|
Al2 0 0 .5 |
|
Al3 .283 .25 .224 |
|
Si1 .338 .75 .039 |
|
Si2 .680 .25 .281 |
|
Si3 .177 .75 .314 |
|
O1 .239 .002 .049 |
|
O2 .301 .980 .348 |
|
O3 .782 .006 .346 |
|
O4 .044 .25 .124 |
|
O5 .035 .75 .137 |
|
O6 .048 .75 .394 |
|
O7 .522 .75 .165 |
|
O8 .524 .25 .318 |
|
O9 .646 .25 .117 |
|
O10 .079 .25 .424 |
|
H .046 .25 .341 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinozoisite |
|
Dorsam G, Liebscher A, Franz G, Gottschalk M |
|
American Mineralogist 92 (2007) 1133-1147 |
|
Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH |
|
solid solution series of zoisite and clinozoisite |
|
Locality: synthetic |
|
Sample: Run no. = Au31, X(Sr) = .233 |
|
_database_code_amcsd 0004400 |
|
8.8795 5.5766 10.1873 90 115.19 90 P2_1/m |
|
atom x y z occ |
|
SrA1 .761 .75 .160 .017 |
|
CaA1 .761 .75 .160 .983 |
|
SrA2 .603 .75 .421 .465 |
|
CaA2 .603 .75 .421 .535 |
|
Al1 0 0 0 |
|
Al2 0 0 .5 |
|
Al3 .269 .25 .216 |
|
Si1 .338 .75 .031 |
|
Si2 .675 .25 .281 |
|
Si3 .181 .75 .317 |
|
O1 .236 .010 .048 |
|
O2 .300 .987 .348 |
|
O3 .789 .003 .350 |
|
O4 .033 .25 .108 |
|
O5 .022 .75 .134 |
|
O6 .112 .75 .410 |
|
O7 .509 .75 .152 |
|
O8 .503 .25 .310 |
|
O9 .634 .25 .117 |
|
O10 .037 .25 .402 |
|
H .046 .25 .341 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinozoisite |
|
Dorsam G, Liebscher A, Franz G, Gottschalk M |
|
American Mineralogist 92 (2007) 1133-1147 |
|
Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH |
|
solid solution series of zoisite and clinozoisite |
|
Locality: synthetic |
|
Sample: Run no. = Au35, X(Sr) = .248 |
|
_database_code_amcsd 0004401 |
|
8.8737 5.5763 10.2014 90 115.15 90 P2_1/m |
|
atom x y z occ |
|
SrA1 .761 .75 .159 .034 |
|
CaA1 .761 .75 .159 .966 |
|
SrA2 .599 .75 .422 .462 |
|
CaA2 .599 .75 .422 .538 |
|
Al1 0 0 0 |
|
Al2 0 0 .5 |
|
Al3 .284 .25 .219 |
|
Si1 .338 .75 .042 |
|
Si2 .679 .25 .280 |
|
Si3 .179 .75 .312 |
|
O1 .234 .002 .047 |
|
O2 .298 .982 .349 |
|
O3 .781 .010 .347 |
|
O4 .048 .25 .129 |
|
O5 .023 .75 .142 |
|
O6 .060 .75 .397 |
|
O7 .526 .75 .166 |
|
O8 .505 .25 .303 |
|
O9 .653 .25 .116 |
|
O10 .070 .25 .428 |
|
H .046 .25 .341 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinozoisite |
|
Dorsam G, Liebscher A, Franz G, Gottschalk M |
|
American Mineralogist 92 (2007) 1133-1147 |
|
Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH |
|
solid solution series of zoisite and clinozoisite |
|
Locality: synthetic |
|
Sample: Run no. = Au34, X(Sr) = .248 |
|
_database_code_amcsd 0004402 |
|
8.8763 5.5774 10.2055 90 115.12 90 P2_1/m |
|
atom x y z occ |
|
CaA1 .760 .75 .159 |
|
SrA2 .597 .75 .420 .496 |
|
CaA2 .597 .75 .420 .504 |
|
Al1 0 0 0 |
|
Al2 0 0 .5 |
|
Al3 .287 .25 .216 |
|
Si1 .339 .75 .039 |
|
Si2 .677 .25 .279 |
|
Si3 .177 .75 .308 |
|
O1 .230 .006 .049 |
|
O2 .295 .983 .348 |
|
O3 .778 .016 .347 |
|
O4 .043 .25 .130 |
|
O5 .025 .75 .142 |
|
O6 .065 .75 .395 |
|
O7 .531 .75 .164 |
|
O8 .498 .25 .294 |
|
O9 .659 .25 .122 |
|
O10 .076 .25 .436 |
|
H .046 .25 .341 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinozoisite |
|
Dorsam G, Liebscher A, Franz G, Gottschalk M |
|
American Mineralogist 92 (2007) 1133-1147 |
|
Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH |
|
solid solution series of zoisite and clinozoisite |
|
Locality: synthetic |
|
Sample: Run no. = Pt8, X(Sr) = .292 |
|
_database_code_amcsd 0004403 |
|
8.8740 5.5767 10.2189 90 115.10 90 P2_1/m |
|
atom x y z occ |
|
SrA1 .764 .75 .159 .058 |
|
CaA1 .764 .75 .159 .942 |
|
SrA2 .597 .75 .421 .526 |
|
CaA2 .597 .75 .421 .474 |
|
Al1 0 0 0 |
|
Al2 0 0 .5 |
|
Al3 .286 .25 .219 |
|
Si1 .337 .75 .046 |
|
Si2 .679 .25 .277 |
|
Si3 .180 .75 .312 |
|
O1 .237 .996 .048 |
|
O2 .296 .986 .347 |
|
O3 .789 .015 .349 |
|
O4 .059 .25 .129 |
|
O5 .035 .75 .148 |
|
O6 .061 .75 .395 |
|
O7 .515 .75 .167 |
|
O8 .504 .25 .299 |
|
O9 .658 .25 .117 |
|
O10 .069 .25 .424 |
|
H .046 .25 .341 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinozoisite |
|
Dorsam G, Liebscher A, Franz G, Gottschalk M |
|
American Mineralogist 92 (2007) 1133-1147 |
|
Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH |
|
solid solution series of zoisite and clinozoisite |
|
Locality: synthetic |
|
Sample: Run no. = Au42, X(Sr) = .37 |
|
_database_code_amcsd 0004404 |
|
8.8796 5.5790 10.2257 90 115.06 90 P2_1/m |
|
atom x y z occ |
|
SrA1 .761 .75 .157 .001 |
|
CaA1 .761 .75 .157 .999 |
|
SrA2 .596 .75 .422 .698 |
|
CaA2 .596 .75 .422 .302 |
|
Al1 0 0 0 |
|
Al2 0 0 .5 |
|
Al3 .286 .25 .219 |
|
Si1 .338 .75 .040 |
|
Si2 .680 .25 .280 |
|
Si3 .177 .75 .306 |
|
O1 .228 .002 .046 |
|
O2 .294 .983 .346 |
|
O3 .781 .025 .345 |
|
O4 .049 .25 .127 |
|
O5 .029 .75 .140 |
|
O6 .058 .75 .392 |
|
O7 .519 .75 .168 |
|
O8 .505 .25 .296 |
|
O9 .658 .25 .119 |
|
O10 .077 .25 .430 |
|
H .046 .25 .341 |
|
|
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|
| |
|
Clinozoisite |
|
Dorsam G, Liebscher A, Franz G, Gottschalk M |
|
American Mineralogist 92 (2007) 1133-1147 |
|
Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH |
|
solid solution series of zoisite and clinozoisite |
|
Locality: synthetic |
|
Sample: Run no. = Pt35, X(Sr) = .458 |
|
_database_code_amcsd 0004405 |
|
8.8871 5.5828 10.2452 90 114.97 90 P2_1/m |
|
atom x y z occ |
|
SrA1 .755 .75 .155 .064 |
|
CaA1 .755 .75 .155 .936 |
|
SrA2 .593 .75 .420 .851 |
|
CaA2 .593 .75 .420 .149 |
|
Al1 0 0 0 |
|
Al2 0 0 .5 |
|
Al3 .295 .25 .224 |
|
Si1 .334 .75 .038 |
|
Si2 .684 .25 .281 |
|
Si3 .170 .75 .307 |
|
O1 .242 .015 .054 |
|
O2 .284 .983 .345 |
|
O3 .781 .014 .348 |
|
O4 .041 .25 .123 |
|
O5 .035 .75 .142 |
|
O6 .055 .75 .396 |
|
O7 .556 .75 .176 |
|
O8 .508 .25 .299 |
|
O9 .667 .25 .118 |
|
O10 .064 .25 .415 |
|
H .046 .25 .341 |
|
|
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|
| |
|
Clinozoisite |
|
Dorsam G, Liebscher A, Franz G, Gottschalk M |
|
American Mineralogist 92 (2007) 1133-1147 |
|
Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH |
|
solid solution series of zoisite and clinozoisite |
|
Locality: synthetic |
|
Sample: Run no. = Au43, X(Sr) = .513 |
|
_database_code_amcsd 0004406 |
|
8.8923 5.5844 10.2585 90 114.99 90 P2_1/m |
|
atom x y z occ |
|
SrA1 .759 .75 .157 .148 |
|
CaA1 .759 .75 .157 .852 |
|
SrA2 .594 .75 .423 .878 |
|
CaA2 .594 .75 .423 .122 |
|
Al1 0 0 0 |
|
Al2 0 0 .5 |
|
Al3 .289 .25 .216 |
|
Si1 .335 .75 .038 |
|
Si2 .679 .25 .278 |
|
Si3 .178 .75 .306 |
|
O1 .233 .999 .048 |
|
O2 .289 .987 .341 |
|
O3 .783 .024 .347 |
|
O4 .047 .25 .126 |
|
O5 .035 .75 .145 |
|
O6 .054 .75 .389 |
|
O7 .514 .75 .166 |
|
O8 .498 .25 .289 |
|
O9 .657 .25 .109 |
|
O10 .078 .25 .429 |
|
H .046 .25 .341 |
|
|
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|
| |
|
Staurolite |
|
Koch-Muller M, Kahlenberg V, Bubenick W, Gottschalk M |
| |
European Journal of Mineralogy 10 (1998) 453-460 |
|
Crystal-structure refinement of synthetic Fe- and Mg-staurolite by |
|
Rietveld analysis of X-ray powder-diffraction data |
|
Sample: Mg-staurolite synthesized at 25 kbar |
|
_database_code_amcsd 0006726 |
|
7.8791 16.5425 5.6329 90 90 90 Ccmm |
|
atom x y z occ Uiso |
|
MgT2 .3877 0 .25 .53 .0155 |
|
AlT2 .3877 0 .25 .04 .0155 |
|
SiT1 .1344 .1672 .25 .98 .0035 |
|
AlT1 .1344 .1672 .25 .02 .0035 |
|
AlM1 .5 .1737 0 .97 .0050 |
|
MgM1 .5 .1737 0 .03 .0050 |
|
AlM2 .2631 .4101 .25 .97 .0060 |
|
MgM2 .2631 .4101 .25 .03 .0060 |
|
AlM3 0 0 0 .43 .0057 |
|
MgM3 0 0 0 .03 .0057 |
|
MgM4 .5 0 0 .22 .0083 |
|
O1 .2361 0 .9770 .0086 |
|
O2 .2559 .1627 .0116 .0044 |
|
O3 .0043 .0856 .25 .0068 |
|
O4 .0205 .2508 .25 .0047 |
|
O5 .5253 .0934 .25 .0047 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Staurolite |
|
Koch-Muller M, Kahlenberg V, Bubenick W, Gottschalk M |
| |
European Journal of Mineralogy 10 (1998) 453-460 |
|
Crystal-structure refinement of synthetic Fe- and Mg-staurolite by |
|
Rietveld analysis of X-ray powder-diffraction data |
|
Sample: Fe-staurolite synthesized at 25 kbar |
|
_database_code_amcsd 0006727 |
|
7.8719 16.6231 5.6583 90 90 90 Ccmm |
|
atom x y z occ Uiso |
|
FeT2 .3942 0 .25 .71 .0149 |
|
AlT2 .3942 0 .25 .15 .0149 |
|
SiT1 .1324 .1654 .25 .95 .0039 |
|
AlT1 .1324 .1654 .25 .05 .0039 |
|
AlM1 .5 .1734 0 .97 .0050 |
|
FeM1 .5 .1734 0 .03 .0050 |
|
AlM2 .2681 .4106 .25 .97 .0060 |
|
FeM2 .2681 .4106 .25 .03 .0060 |
|
AlM3 0 0 0 .48 .0065 |
|
FeM4 .5 0 0 .05 .0135 |
|
O1 .2352 0 .9667 .0096 |
|
O2 .2532 .1614 .0143 .0060 |
|
O3 .0011 .0882 .25 .0084 |
|
O4 .0192 .2463 .25 .0059 |
|
O5 .5317 .0989 .25 .0059 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Staurolite |
|
Koch-Muller M, Kahlenberg V, Bubenick W, Gottschalk M |
| |
European Journal of Mineralogy 10 (1998) 453-460 |
|
Crystal-structure refinement of synthetic Fe- and Mg-staurolite by |
|
Rietveld analysis of X-ray powder-diffraction data |
|
Sample: Fe-staurolite synthesized at 5 kbar |
|
Note: These coordinates do not reproduce the reported bond lengths, but |
|
Koch-Muller tells me that the coordinates are correct, and the reported |
|
bond lengths were incorrect. |
|
_database_code_amcsd 0006728 |
|
7.8783 16.6172 5.6591 90 90 90 Ccmm |
|
atom x y z occ Uiso |
|
FeT2 .3952 0 .25 .78 .0149 |
|
AlT2 .3952 0 .25 .08 .0149 |
|
SiT1 .1307 .1648 .25 .95 .0039 |
|
AlT1 .1307 .1648 .25 .05 .0039 |
|
AlM1 .5 .1752 0 .97 .0050 |
|
FeM1 .5 .1752 0 .03 .0050 |
|
AlM2 .2696 .4105 .25 .97 .0060 |
|
FeM2 .2696 .4105 .25 .03 .0060 |
|
AlM3 0 0 0 .52 .0065 |
|
FeM4 .5 0 0 .01 .0135 |
|
O1 .2405 0 .9661 .0096 |
|
O2 .2544 .1626 .0138 .0060 |
|
O3 .0000 .0864 .25 .0084 |
|
O4 .0222 .2443 .25 .0059 |
|
O5 .5302 .0987 .25 .0059 |
|
|
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View JMOL 3-D Structure
|
| |
|
Chloritoid |
|
Koch-Muller M, Abs-Wurmbach I, Langer K, Shaw C, Wirth R, Gottschalk M |
| |
European Journal of Mineralogy 12 (2000) 293-314 |
|
Synthetic and natural Fe-Mg chloritoid: structural, spectroscopic and |
|
thermodynamic studies |
|
Sample: MKM-97-4 |
|
_database_code_amcsd 0006828 |
|
9.467 5.466 9.140 96.67 101.04 90.0 C-1 |
|
atom x y z occ |
|
AlM1A .25 .25 0 .9825 |
|
FeM1A .25 .25 0 .0175 |
|
AlM2A 0 .5 .5 |
|
FeM1B .0882 .7501 .0048 .51 |
|
MgM1B .0882 .7501 .0048 .485 |
|
AlM2B1 .25 .25 .5 |
|
AlM2B2 .25 .75 .5 |
|
SiT .4748 .4409 .3183 |
|
OH1A .1028 .4188 .0880 |
|
OH1B .2621 .9311 .0910 |
|
O1C .4336 .4438 .1335 |
|
O2A .3849 .2306 .3808 |
|
O2B .3961 .6682 .4015 |
|
O2C .1304 .0055 .4237 |
|
O2D .1446 .4775 .3495 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Chloritoid |
|
Koch-Muller M, Abs-Wurmbach I, Langer K, Shaw C, Wirth R, Gottschalk M |
| |
European Journal of Mineralogy 12 (2000) 293-314 |
|
Synthetic and natural Fe-Mg chloritoid: structural, spectroscopic and |
|
thermodynamic studies |
|
Sample: RO2 |
|
_database_code_amcsd 0006829 |
|
9.451 5.4674 18.159 90 101.4 90 C2/c |
|
atom x y z occ |
|
AlM1A .25 .25 0 .985 |
|
FeM1A .25 .25 0 .015 |
|
AlM2A 0 .4261 .25 |
|
FeM1B .0850 .7401 .0034 .43 |
|
MgM1B .0850 .7401 .0034 .56 |
|
AlM2B1 .2533 .6524 .2485 |
|
SiT .4669 .4036 .1602 |
|
OH1A .1146 .3987 .0540 |
|
OH1B .2616 .9346 .0461 |
|
O1C .4321 .4135 .0681 |
|
O2A .3966 .1689 .1963 |
|
O2B .3970 .6382 .1965 |
|
O2C .1418 .8910 .1915 |
|
O2D .1481 .4145 .1990 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Sursassite |
|
Gottschalk M, Fockenberg T, Grevel K-D, Wunder B, Wirth R, Schreyer W, Maresch W V |
| |
European Journal of Mineralogy 12 (2000) 935-945 |
|
Crystal structure of the high-pressure phase Mg4(MgAl)Al4[Si6O21/(OH)7]: |
|
an analogue of sursassite |
|
Sample: A53 |
|
_database_code_amcsd 0006842 |
|
8.5424 5.7117 9.6484 90 108.298 90 P2_1/m |
|
atom x y z occ Uiso |
|
MgM1 .1804 1/4 .3154 .005 |
|
MgM2 .2765 1/4 .6718 .006 |
|
AlM3 1/2 0 1/2 .58 .018 |
|
MgM3 1/2 0 1/2 .42 .018 |
|
AlM4 1/2 0 0 .005 |
|
AlM5 0 0 0 .004 |
|
SiT1 .3060 3/4 .1948 .0112 |
|
SiT2 .2068 3/4 .8067 .0112 |
|
SiT3 .1492 3/4 .4930 .0112 |
|
O1 .251 .508 .498 .0054 |
|
O2 .1898 .522 .1707 .0054 |
|
O3 .3160 .514 .8243 .0054 |
|
O4 .407 3/4 .0765 .0054 |
|
O5 .457 3/4 .3586 .0054 |
|
O6 .089 1/4 .9279 .0054 |
|
O7 .442 1/4 .3632 .0054 |
|
O8 .080 3/4 .8997 .0054 |
|
O9 .076 3/4 .6357 .0054 |
|
O10 -.026 3/4 .3549 .0054 |
|
O11 .402 1/4 .0663 .0054 |
|
H1 .145 1/4 .034 .01 |
|
H2 .361 1/4 .263 .42 .01 |
|
H3 -.107 3/4 .257 .01 |
|
H4 .480 1/4 .166 .01 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Walstromite-(Ca,Sr) |
| |
Dorsam G, Liebscher A, Wunder B, Franz G, Gottschalk M |
| |
European Journal of Mineralogy 21 (2009) 705-714 |
|
Crystal structure refinement of synthetic Ca0.43Sr0.57[SiO3]-walstromite |
|
and walstromite-fluid Ca-Sr distribution at upper-mantle conditions |
|
Locality: synthetic |
|
_database_code_amcsd 0007324 |
|
6.7580 9.464 6.7507 83.22 76.83 70.33 P-1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CaA1 .7555 .0022 .7365 .30 .0109 .0085 .0112 .0120 -.0028 -.0006 -.0010 |
|
SrA1 .7555 .0022 .7365 .70 .0109 .0085 .0112 .0120 -.0028 -.0006 -.0010 |
|
CaA2 .9308 .3353 .5683 .98 .0109 .0090 .0129 .0114 -.0046 -.0009 -.0017 |
|
SrA2 .9308 .3353 .5683 .02 .0109 .0090 .0129 .0114 -.0046 -.0009 -.0017 |
|
CaA3 .2924 .3556 .9217 .02 .0144 .0123 .0118 .0174 -.0045 .0028 -.0039 |
|
SrA3 .2924 .3556 .9217 .98 .0144 .0123 .0118 .0174 -.0045 .0028 -.0039 |
|
Si1 .4840 .3029 .4433 .0098 .0062 .0110 .0118 -.0031 -.0002 -.0017 |
|
Si2 .7264 .0151 .2313 .0098 .0081 .0104 .0107 -.0032 -.0009 -.0016 |
|
Si3 .8431 .2889 .1005 .0100 .0086 .0108 .0102 -.0033 -.0007 -.0005 |
|
O1 .2412 .4024 .5193 .0123 .0077 .0120 .0152 -.0017 .0005 -.0026 |
|
O2 .6178 .2721 .6211 .0131 .0090 .0158 .0149 -.0039 -.0026 -.0016 |
|
O3 .5046 .1379 .3609 .0138 .0111 .0123 .0175 -.0051 .0028 -.0056 |
|
O4 .6518 -.0910 .1197 .0133 .0126 .0126 .0153 -.0050 -.0016 -.0030 |
|
O5 .8974 -.0640 .3708 .0135 .0101 .0160 .0143 -.0034 -.0033 -.0006 |
|
O6 .8147 .1308 .0513 .0124 .0132 .0108 .0125 -.0047 .0009 -.0023 |
|
O7 .8888 .3927 -.0965 .0126 .0140 .0138 .0098 -.0057 0 -.0006 |
|
O8 .0229 .2609 .2318 .0142 .0114 .0191 .0125 -.0047 -.0030 -.0012 |
|
O9 .6013 .3813 .2347 .0134 .0107 .0103 .0161 -.0021 .0008 .0001 |
|
|
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|
| |
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