|
Piemontite |
 |
Nagashima M, Akasaka M |
 |
American Mineralogist 89 (2004) 1119-1129 |
|
An X-ray Rietveld study of piemontite on the join |
|
Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis |
|
Sample: q = 0.5, p = 0.5, Synthesis at P=350 MPa, T=500 C |
|
_database_code_amcsd 0003586 |
|
8.856 5.6291 10.148 90 115.516 90 P2_1/m |
|
atom x y z occ |
|
Ca1 .757 3/4 .155 |
|
Ca2 .603 3/4 .421 |
|
AlM1 0 0 0 .99 |
|
MnM1 0 0 0 .01 |
|
AlM2 0 0 1/2 .96 |
|
AlM2 0 0 1/2 .04 |
|
AlM3 .298 1/4 .222 .55 |
|
MnM3 .298 1/4 .222 .45 |
|
Si1 .332 3/4 .046 |
|
Si2 .682 1/4 .275 |
|
Si3 .186 3/4 .317 |
|
O1 .232 .991 .036 |
|
O2 .301 .986 .358 |
|
O3 .789 .013 .352 |
|
O4 .065 1/4 .135 |
|
O5 .042 3/4 .147 |
|
O6 .063 3/4 .399 |
|
O7 .521 3/4 .181 |
|
O8 .521 1/4 .303 |
|
O9 .632 1/4 .095 |
|
OH10 .075 1/4 .424 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Piemontite |
|
Nagashima M, Akasaka M |
|
American Mineralogist 89 (2004) 1119-1129 |
|
An X-ray Rietveld study of piemontite on the join |
|
Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis |
|
Sample: q = 0.75, p = 0.75, Synthesis at P=200 MPa, T=500 C |
|
_database_code_amcsd 0003587 |
|
8.8530 5.6596 10.1501 90 115.511 90 P2_1/m |
|
atom x y z occ |
|
Ca1 .756 3/4 .153 |
|
Ca2 .603 3/4 .424 |
|
AlM1 0 0 0 .92 |
|
MnM1 0 0 0 .08 |
|
AlM2 0 0 1/2 .98 |
|
MnM2 0 0 1/2 .02 |
|
AlM3 .295 1/4 .223 .35 |
|
MnM3 .295 1/4 .223 .65 |
|
Si1 .337 3/4 .045 |
|
Si2 .681 1/4 .275 |
|
Si3 .186 3/4 .320 |
|
O1 .235 .989 .034 |
|
O2 .305 .980 .355 |
|
O3 .794 .017 .343 |
|
O4 .064 1/4 .132 |
|
O5 .042 3/4 .148 |
|
O6 .068 3/4 .406 |
|
O7 .517 3/4 .181 |
|
O8 .522 1/4 .309 |
|
O9 .621 1/4 .095 |
|
OH10 .080 1/4 .424 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Piemontite |
|
Nagashima M, Akasaka M |
|
American Mineralogist 89 (2004) 1119-1129 |
|
An X-ray Rietveld study of piemontite on the join |
|
Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis |
|
Sample: q = 0.75, p = 0.75, Synthesis at P=350 MPa, T=500 C |
|
_database_code_amcsd 0003588 |
|
8.8548 5.6541 10.1546 90 115.514 90 P2_1/m |
|
atom x y z occ |
|
Ca1 .756 3/4 .154 |
|
Ca2 .600 3/4 .424 |
|
AlM1 0 0 0 .87 |
|
MnM1 0 0 0 .13 |
|
AlM2 0 0 1/2 .97 |
|
MnM2 0 0 1/2 .03 |
|
AlM3 .298 1/4 .222 .42 |
|
MnM3 .298 1/4 .222 .58 |
|
Si1 .337 3/4 .045 |
|
Si2 .685 1/4 .275 |
|
Si3 .188 3/4 .319 |
|
O1 .231 .990 .034 |
|
O2 .308 .979 .358 |
|
O3 .794 .017 .342 |
|
O4 .059 1/4 .133 |
|
O5 .044 3/4 .149 |
|
O6 .065 3/4 .405 |
|
O7 .515 3/4 .173 |
|
O8 .520 1/4 .302 |
|
O9 .619 1/4 .097 |
|
OH10 .089 1/4 .426 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Piemontite |
|
Nagashima M, Akasaka M |
|
American Mineralogist 89 (2004) 1119-1129 |
|
An X-ray Rietveld study of piemontite on the join |
|
Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis |
|
Sample: q = 1.0, p = 1.00, Synthesis at P=200 MPa, T=500 C |
|
_database_code_amcsd 0003589 |
|
8.8531 5.6741 10.1613 90 115.519 90 P2_1/m |
|
atom x y z occ |
|
Ca1 .756 3/4 .156 |
|
Ca2 .601 3/4 .424 |
|
AlM1 0 0 0 .86 |
|
MnM1 0 0 0 .14 |
|
AlM2 0 0 1/2 .95 |
|
MnM2 0 0 1/2 .05 |
|
AlM3 .300 1/4 .221 .19 |
|
MnM3 .300 1/4 .221 .81 |
|
Si1 .335 3/4 .046 |
|
Si2 .687 1/4 .274 |
|
Si3 .184 3/4 .321 |
|
O1 .236 .982 .033 |
|
O2 .310 .974 .359 |
|
O3 .794 .018 .336 |
|
O4 .061 1/4 .133 |
|
O5 .038 3/4 .151 |
|
O6 .070 3/4 .407 |
|
O7 .519 3/4 .189 |
|
O8 .526 1/4 .308 |
|
O9 .615 1/4 .097 |
|
OH10 .081 1/4 .420 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Piemontite |
|
Nagashima M, Akasaka M |
|
American Mineralogist 89 (2004) 1119-1129 |
|
An X-ray Rietveld study of piemontite on the join |
|
Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis |
|
Sample: q = 1.0, p = 1.00, Synthesis at P=350 MPa, T=500 C |
|
_database_code_amcsd 0003590 |
|
8.8490 5.6670 10.153 90 115.499 90 P2_1/m |
|
atom x y z occ |
|
Ca1 .756 3/4 .152 |
|
Ca2 .599 3/4 .424 |
|
AlM1 0 0 0 .80 |
|
MnM1 0 0 0 .20 |
|
AlM2 0 0 1/2 |
|
AlM3 .297 1/4 .222 .20 |
|
MnM3 .297 1/4 .222 .80 |
|
Si1 .335 3/4 .043 |
|
Si2 .685 1/4 .274 |
|
Si3 .187 3/4 .318 |
|
O1 .233 .986 .030 |
|
O2 .308 .975 .353 |
|
O3 .795 .019 .338 |
|
O4 .064 1/4 .136 |
|
O5 .043 3/4 .147 |
|
O6 .066 3/4 .407 |
|
O7 .514 3/4 .181 |
|
O8 .524 1/4 .310 |
|
O9 .617 1/4 .094 |
|
OH10 .080 1/4 .424 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Piemontite |
|
Nagashima M, Akasaka M |
|
American Mineralogist 89 (2004) 1119-1129 |
|
An X-ray Rietveld study of piemontite on the join |
|
Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis |
|
Sample: q = 1.1, p = 1.04, Synthesis at P=200 MPa, T=500 C |
|
_database_code_amcsd 0003591 |
|
8.8596 5.6834 10.1679 90 115.503 90 P2_1/m |
|
atom x y z occ |
|
Ca1 .757 3/4 .152 |
|
Ca2 .596 3/4 .423 |
|
AlM1 0 0 0 .84 |
|
MnM1 0 0 0 .16 |
|
AlM2 0 0 1/2 .95 |
|
MnM2 0 0 1/2 .05 |
|
AlM3 .300 1/4 .221 .17 |
|
MnM3 .300 1/4 .221 .83 |
|
Si1 .335 3/4 .043 |
|
Si2 .688 1/4 .274 |
|
Si3 .187 3/4 .321 |
|
O1 .237 .984 .031 |
|
O2 .311 .981 .355 |
|
O3 .793 .017 .336 |
|
O4 .062 1/4 .134 |
|
O5 .043 3/4 .148 |
|
O6 .070 3/4 .413 |
|
O7 .512 3/4 .180 |
|
O8 .524 1/4 .310 |
|
O9 .614 1/4 .093 |
|
OH10 .086 1/4 .424 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Piemontite |
|
Nagashima M, Akasaka M |
|
American Mineralogist 89 (2004) 1119-1129 |
|
An X-ray Rietveld study of piemontite on the join |
|
Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis |
|
Sample: q = 1.1, p = 1.03, Synthesis at P=350 MPa, T=500 C |
|
_database_code_amcsd 0003592 |
|
8.860 5.6818 10.167 90 115.511 90 P2_1/m |
|
atom x y z occ |
|
Ca1 .757 3/4 .152 |
|
Ca2 .598 3/4 .424 |
|
AlM1 0 0 0 .81 |
|
MnM1 0 0 0 .19 |
|
AlM2 0 0 1/2 .99 |
|
MnM2 0 0 1/2 .01 |
|
AlM3 .299 1/4 .222 .17 |
|
MnM3 .299 1/4 .222 .83 |
|
Si1 .334 3/4 .042 |
|
Si2 .686 1/4 .274 |
|
Si3 .188 3/4 .320 |
|
O1 .238 .986 .031 |
|
O2 .310 .981 .358 |
|
O3 .792 .022 .335 |
|
O4 .063 1/4 .131 |
|
O5 .046 3/4 .151 |
|
O6 .070 3/4 .411 |
|
O7 .511 3/4 .182 |
|
O8 .523 1/4 .306 |
|
O9 .610 1/4 .090 |
|
OH10 .086 1/4 .420 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Piemontite |
|
Nagashima M, Akasaka M |
|
American Mineralogist 89 (2004) 1119-1129 |
|
An X-ray Rietveld study of piemontite on the join |
|
Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis |
|
Sample: q = 1.5, p = 1.26, Synthesis at P=200 MPa, T=500 C |
|
_database_code_amcsd 0003593 |
|
8.8589 5.7017 10.1802 90 115.540 90 P2_1/m |
|
atom x y z occ |
|
Ca1 .756 3/4 .152 |
|
Ca2 .595 3/4 .421 |
|
AlM1 0 0 0 .73 |
|
MnM1 0 0 0 .27 |
|
AlM2 0 0 1/2 .95 |
|
MnM2 0 0 1/2 .05 |
|
AlM3 .304 1/4 .222 .06 |
|
MnM3 .304 1/4 .222 .94 |
|
Si1 .338 3/4 .040 |
|
Si2 .687 1/4 .272 |
|
Si3 .186 3/4 .320 |
|
O1 .237 .982 .028 |
|
O2 .313 .978 .352 |
|
O3 .795 .019 .334 |
|
O4 .062 1/4 .140 |
|
O5 .044 3/4 .151 |
|
O6 .077 3/4 .414 |
|
O7 .514 3/4 .185 |
|
O8 .530 1/4 .312 |
|
O9 .606 1/4 .091 |
|
OH10 .085 1/4 .421 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Piemontite |
|
Nagashima M, Akasaka M |
|
American Mineralogist 89 (2004) 1119-1129 |
|
An X-ray Rietveld study of piemontite on the join |
|
Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis |
|
Sample: q = 1.5, p = 1.25, Synthesis at P=350 MPa, T=500 C |
|
_database_code_amcsd 0003594 |
|
8.8625 5.7006 10.1822 90 115.525 90 P2_1/m |
|
atom x y z occ |
|
Ca1 .756 3/4 .151 |
|
Ca2 .594 3/4 .420 |
|
AlM1 0 0 0 .68 |
|
MnM1 0 0 0 .32 |
|
AlM2 0 0 1/2 .95 |
|
MnM2 0 0 1/2 .05 |
|
AlM3 .306 1/4 .222 .11 |
|
MnM3 .306 1/4 .222 .89 |
|
Si1 .333 3/4 .040 |
|
Si2 .690 1/4 .271 |
|
Si3 .184 3/4 .321 |
|
O1 .238 .980 .029 |
|
O2 .312 .978 .350 |
|
O3 .796 .017 .333 |
|
O4 .067 1/4 .142 |
|
O5 .039 3/4 .154 |
|
O6 .079 3/4 .420 |
|
O7 .515 3/4 .184 |
|
O8 .531 1/4 .308 |
|
O9 .610 1/4 .088 |
|
OH10 .088 1/4 .418 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Piemontite |
|
Nagashima M, Akasaka M |
|
American Mineralogist 89 (2004) 1119-1129 |
|
An X-ray Rietveld study of piemontite on the join |
|
Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis |
|
Sample: q = 1.75, p = 1.26, Synthesis at P=200 MPa, T=500 C |
|
_database_code_amcsd 0003595 |
|
8.8591 5.7039 10.1827 90 115.548 90 P2_1/m |
|
atom x y z occ |
|
Ca1 .756 3/4 .154 |
|
Ca2 .596 3/4 .423 |
|
AlM1 0 0 0 .69 |
|
MnM1 0 0 0 .31 |
|
AlM2 0 0 1/2 .98 |
|
MnM2 0 0 1/2 .02 |
|
AlM3 .301 1/4 .224 .08 |
|
MnM3 .301 1/4 .224 .92 |
|
Si1 .338 3/4 .041 |
|
Si2 .686 1/4 .276 |
|
Si3 .186 3/4 .321 |
|
O1 .236 .979 .030 |
|
O2 .313 .973 .356 |
|
O3 .794 .019 .332 |
|
O4 .069 1/4 .135 |
|
O5 .038 3/4 .147 |
|
O6 .079 3/4 .417 |
|
O7 .528 3/4 .188 |
|
O8 .533 1/4 .309 |
|
O9 .612 1/4 .095 |
|
OH10 .083 1/4 .415 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Piemontite |
|
Nagashima M, Akasaka M |
|
American Mineralogist 89 (2004) 1119-1129 |
|
An X-ray Rietveld study of piemontite on the join |
|
Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis |
|
Sample: q = 1.75, p = 1.25, Synthesis at P=350 MPa, T=500 C |
|
_database_code_amcsd 0003596 |
|
8.8581 5.6949 10.1771 90 115.518 90 P2_1/m |
|
atom x y z occ |
|
Ca1 .757 3/4 .154 |
|
Ca2 .594 3/4 .422 |
|
AlM1 0 0 0 .73 |
|
MnM1 0 0 0 .27 |
|
AlM2 0 0 1/2 .97 |
|
MnM2 0 0 1/2 .03 |
|
AlM3 .300 1/4 .222 .05 |
|
MnM3 .300 1/4 .222 .95 |
|
Si1 .335 3/4 .043 |
|
Si2 .686 1/4 .271 |
|
Si3 .181 3/4 .322 |
|
O1 .241 .985 .030 |
|
O2 .311 .981 .353 |
|
O3 .802 .015 .337 |
|
O4 .068 1/4 .133 |
|
O5 .039 3/4 .150 |
|
O6 .078 3/4 .424 |
|
O7 .521 3/4 .184 |
|
O8 .531 1/4 .310 |
|
O9 .607 1/4 .085 |
|
OH10 .085 1/4 .421 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Macfallite |
|
Nagashima M, Rahmoun N S, Alekseev E V, Geiger C A, Armbruster T, Akasaka M |
| |
American Mineralogist 93 (2008) 1851-1857 |
|
Crystal chemistry of macfallite: Relationships to sursassite and pumpellyite |
|
Locality: Manganese Lake, Copper Harbor, Keweenaw County, Michigan |
|
_database_code_amcsd 0004767 |
|
8.959 6.072 10.218 90 110.75 90 P2_1/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 .1670 .25 .3134 .0095 .0076 .0116 .0084 0 .0018 0 |
|
Ca2 .2949 .25 .6813 .0096 .0119 .0105 .0081 0 .0057 0 |
|
MnMn1 .5 0 .5 .837 .0075 .0061 .0102 .0066 .0002 .0027 -.0002 |
|
AlMn1 .5 0 .5 .09 .0075 .0061 .0102 .0066 .0002 .0027 -.0002 |
|
MgMn1 .5 0 .5 .03 .0075 .0061 .0102 .0066 .0002 .0027 -.0002 |
|
CuMn1 .5 0 .5 .01 .0075 .0061 .0102 .0066 .0002 .0027 -.0002 |
|
VMn1 .5 0 .5 .003 .0075 .0061 .0102 .0066 .0002 .0027 -.0002 |
|
MnMn2 .5 0 0 .837 .0057 .0047 .0070 .0062 .0005 .0029 .0007 |
|
AlMn2 .5 0 0 .09 .0057 .0047 .0070 .0062 .0005 .0029 .0007 |
|
MgMn2 .5 0 0 .03 .0057 .0047 .0070 .0062 .0005 .0029 .0007 |
|
CuMn2 .5 0 0 .01 .0057 .0047 .0070 .0062 .0005 .0029 .0007 |
|
VMn2 .5 0 0 .003 .0057 .0047 .0070 .0062 .0005 .0029 .0007 |
|
MnMn3 0 .5 0 .837 .0071 .0048 .0087 .0078 -.0005 .0022 -.0007 |
|
AlMn3 0 .5 0 .09 .0071 .0048 .0087 .0078 -.0005 .0022 -.0007 |
|
MgMn3 0 .5 0 .03 .0071 .0048 .0087 .0078 -.0005 .0022 -.0007 |
|
CuMn3 0 .5 0 .01 .0071 .0048 .0087 .0078 -.0005 .0022 -.0007 |
|
VMn3 0 .5 0 .003 .0071 .0048 .0087 .0078 -.0005 .0022 -.0007 |
|
Si1 .3080 .75 .1891 .0087 .0056 .0113 .0098 0 .0035 0 |
|
Si2 .2074 .75 .8040 .0078 .0052 .0104 .0087 0 .0034 0 |
|
Si3 .1630 .75 .4982 .0071 .0081 .0074 .0069 0 .0040 0 |
|
O1 .2585 .5212 .4988 .0094 .0106 .009 .0106 .000 .0064 -.002 |
|
O2 .1937 .5340 .1622 .0106 .0087 .013 .0087 .001 .0010 -.001 |
|
O3 .3153 .5289 .8358 .0099 .0080 .012 .0080 .0020 .0011 .000 |
|
O4 .4213 .75 .0929 .0174 .006 .033 .013 0 .004 0 |
|
O5 .4444 .75 .3485 .0112 .007 .012 .014 0 .003 0 |
|
O6 .0866 .25 .9348 .0101 .011 .008 .014 0 .007 0 |
|
O7 .4395 .25 .3806 .0115 .006 .014 .015 0 .003 0 |
|
O8 .0726 .75 .8761 .0106 .007 .015 .013 0 .006 0 |
|
O9 .0999 .75 .6326 .0099 .008 .014 .009 0 .005 0 |
|
O10 -.0071 .75 .3610 .0120 .012 .021 .003 0 .004 0 |
|
O11 .3983 .25 .0631 .0168 .007 .025 .019 0 .006 0 |
|
H6 .2032 .25 .978 .05 |
|
H10 -.002 .75 .2666 .05 |
|
H11 .405 .25 .1609 .05 |
|
|
| 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) |
|
Hamada M, Akasaka M, Seto S, Makino K |
| |
American Mineralogist 95 (2010) 1294-1304 |
|
Crystal chemistry of chromian pumpellyite from Osayama, Okayama Prefecture, Japan |
|
Locality: Osayama ultramafic body, Okayama, Japan |
|
Sample: ocp1211 |
|
_database_code_amcsd 0017597 |
|
19.1129 5.8963 8.818 90 97.449 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CaW1 .33945 .5 .25010 .0143 .0120 .0174 .0140 0 .0030 0 |
|
CaW2 .15449 .5 .19087 .0181 .0130 .0142 .0265 0 .0006 0 |
|
MgX .25 .25 .5 .47 .0141 .0149 .0133 .0145 .0005 .0029 -.0002 |
|
MnX .25 .25 .5 .01 .0141 .0149 .0133 .0145 .0005 .0029 -.0002 |
|
FeX .25 .25 .5 .10 .0141 .0149 .0133 .0145 .0005 .0029 -.0002 |
|
CrX .25 .25 .5 .04 .0141 .0149 .0133 .0145 .0005 .0029 -.0002 |
|
AlX .25 .25 .5 .38 .0141 .0149 .0133 .0145 .0005 .0029 -.0002 |
|
AlY .49561 .24602 .25485 .99 .0088 .0092 .0090 .0088 -.0000 .0032 .0007 |
|
TiY .49561 .24602 .25485 .01 .0088 .0092 .0090 .0088 -.0000 .0032 .0007 |
|
SiZ1 .08985 0 .05072 .0113 .0104 .0125 .0113 0 .0020 0 |
|
SiZ2 .24752 0 .16555 .0119 .0120 .0119 .0118 0 .0010 0 |
|
SiZ3 .40308 0 .46562 .0109 .0096 .0128 .0103 0 .0012 0 |
|
O1 .07094 .2253 .1372 .0155 .0152 .0148 .0176 -.0028 .0066 -.0004 |
|
O2 .24570 .2317 .2659 .0146 .0151 .0113 .0167 -.0018 -.0008 .0008 |
|
O3 .41746 .2236 .3669 .0152 .0164 .0146 .0154 .0021 .0050 .0002 |
|
O4 .44478 .5 .1306 .0114 .0078 .0129 .0127 0 -.0010 0 |
|
Oh5 .4577 0 .1325 .0147 .0131 .015 .0155 0 .0000 0 |
|
O6 .04494 .5 .3702 .0127 .0119 .0124 .0144 0 .0037 0 |
|
Oh7 .0333 0 .3677 .0149 .0170 .015 .0129 0 .0027 0 |
|
O8 .1754 0 .0356 .0161 .0126 .022 .0132 0 -.0001 0 |
|
O9 .1761 .5 .4779 .0156 .0128 .022 .0122 0 .0023 0 |
|
O10 .3131 0 .0664 .0203 .0127 .030 .018 0 .0040 0 |
|
O11 .1852 0 .4971 .0166 .0150 .020 .0152 0 .0019 0 |
|
H7 .035 0 .4792 .05 |
|
H10 .362 0 .118 .05 |
|
H11 .1338 0 .471 .05 |
|
|
| 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) |
|
Hamada M, Akasaka M, Seto S, Makino K |
| |
American Mineralogist 95 (2010) 1294-1304 |
|
Crystal chemistry of chromian pumpellyite from Osayama, Okayama Prefecture, Japan |
|
Locality: Osayama ultramafic body, Okayama, Japan |
|
Sample: ocp0604 |
|
_database_code_amcsd 0017598 |
|
19.0935 5.900 8.810 90 97.540 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CaW1 .33949 .5 .2504 .0124 .0099 .0154 .0121 0 .0023 0 |
|
CaW2 .1547 .5 .1902 .0157 .0104 .0100 .0257 0 -.0013 0 |
|
MgX .25 .25 .5 .45 .0105 .0137 .0065 .0116 .0004 .0025 -.0001 |
|
MnX .25 .25 .5 .01 .0105 .0137 .0065 .0116 .0004 .0025 -.0001 |
|
FeX .25 .25 .5 .05 .0105 .0137 .0065 .0116 .0004 .0025 -.0001 |
|
CrX .25 .25 .5 .11 .0105 .0137 .0065 .0116 .0004 .0025 -.0001 |
|
AlX .25 .25 .5 .38 .0105 .0137 .0065 .0116 .0004 .0025 -.0001 |
|
CrY .49569 .2461 .25461 .08 .0093 .0080 .0109 .0091 .0010 .0018 .0000 |
|
AlY .49569 .2461 .25461 .92 .0093 .0080 .0109 .0091 .0010 .0018 .0000 |
|
SiZ1 .08983 0 .0501 .0099 .0078 .0133 .0080 0 -.0006 0 |
|
SiZ2 .24745 0 .1661 .0101 .0074 .0114 .0108 0 -.0015 0 |
|
SiZ3 .40294 0 .4660 .0091 .0079 .0124 .0071 0 .0009 0 |
|
O1 .0706 .2242 .1375 .0132 .015 .014 .011 .0021 .0022 -.0024 |
|
O2 .24608 .2297 .2662 .0138 .012 .013 .015 .0036 -.0019 -.001 |
|
O3 .4175 .2215 .3676 .0131 .013 .012 .014 -.0004 .0009 .0020 |
|
O4 .4449 .5 .1309 .0093 .004 .014 .009 0 -.004 0 |
|
Oh5 .4579 0 .1322 .0121 .005 .018 .012 0 -.002 0 |
|
O6 .0445 .5 .3691 .0091 .001 .015 .010 0 -.003 0 |
|
Oh7 .0331 0 .3679 .0125 .008 .019 .010 0 -.002 0 |
|
O8 .1758 0 .0365 .0109 .012 .009 .011 0 .001 0 |
|
O9 .1762 .5 .4788 .0148 .012 .026 .008 0 .003 0 |
|
O10 .3130 0 .0674 .0199 .010 .034 .015 0 .001 0 |
|
O11 .1856 0 .4988 .01435 .016 .014 .011 0 .004 0 |
|
H5 .4064 0 .13 .05 |
|
H7 .050 0 .4780 .05 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pumpellyite-(Al) |
| |
Hamada M, Akasaka M, Seto S, Makino K |
| |
American Mineralogist 95 (2010) 1294-1304 |
|
Crystal chemistry of chromian pumpellyite from Osayama, Okayama Prefecture, Japan |
|
Locality: Osayama ultramafic body, Okayama, Japan |
|
Sample: ocp1028 |
|
_database_code_amcsd 0017599 |
|
19.105 5.9021 8.8143 90 97.513 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CaW1 .33946 .5 .25015 .0140 .0095 .0184 .0144 0 .0026 0 |
|
CaW2 .15447 .5 .19028 .0173 .0116 .0134 .0265 0 .0004 0 |
|
MgX .25 .25 .5 .40 .0138 .0122 .0146 .0150 .0003 .0034 -.0003 |
|
MnX .25 .25 .5 .01 .0138 .0122 .0146 .0150 .0003 .0034 -.0003 |
|
FeX .25 .25 .5 .03 .0138 .0122 .0146 .0150 .0003 .0034 -.0003 |
|
CrX .25 .25 .5 .15 .0138 .0122 .0146 .0150 .0003 .0034 -.0003 |
|
AlX .25 .25 .5 .41 .0138 .0122 .0146 .0150 .0003 .0034 -.0003 |
|
CrY .49567 .24622 .2549 .08 .0103 .0094 .0113 .0104 .0004 .0016 -.0002 |
|
AlY .49567 .24622 .2549 .92 .0103 .0094 .0113 .0104 .0004 .0016 -.0002 |
|
SiZ1 .08974 0 .05028 .0101 .0098 .0107 .0096 0 .0008 0 |
|
SiZ2 .24766 0 .16570 .0110 .0098 .0110 .0120 0 .0009 0 |
|
SiZ3 .40311 0 .46569 .0106 .0106 .0105 .0106 0 .0013 0 |
|
O1 .07104 .2242 .1369 .0138 .0087 .0189 .0146 -.0030 .0039 -.0004 |
|
O2 .24594 .2299 .2658 .0158 .0112 .0167 .0188 -.0014 -.0014 .0008 |
|
O3 .41682 .2223 .3672 .0148 .0117 .0188 .0139 .0025 .0024 .0003 |
|
O4 .4450 .5 .1305 .0132 .0096 .020 .0086 0 -.0023 0 |
|
Oh5 .4581 0 .1319 .0144 .014 .019 .0098 0 -.0012 0 |
|
O6 .0445 .5 .3699 .0119 .0074 .018 .0101 0 -.0003 0 |
|
Oh7 .0327 0 .3679 .0159 .014 .020 .0131 0 .0009 0 |
|
O8 .1755 0 .0366 .0147 .014 .018 .0118 0 -.0001 0 |
|
O9 .1760 .5 .4779 .0159 .012 .022 .0140 0 .0016 0 |
|
O10 .3132 0 .0654 .0203 .012 .031 .018 0 .0017 0 |
|
O11 .1854 0 .4975 .0127 .0074 .018 .0140 0 .0055 0 |
|
H7 .44 0 .4797 .05 |
|
H11 .1375 0 .442 .05 |
|
|
| 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) |
|
Hamada M, Akasaka M, Seto S, Makino K |
| |
American Mineralogist 95 (2010) 1294-1304 |
|
Crystal chemistry of chromian pumpellyite from Osayama, Okayama Prefecture, Japan |
|
Locality: Osayama ultramafic body, Okayama, Japan |
|
Sample: ocp1013 |
|
_database_code_amcsd 0017600 |
|
19.1558 5.9125 8.844 90 97.448 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CaW1 .33942 .5 .25044 .0250 .0100 .0291 .0381 0 .0111 0 |
|
CaW2 .15450 .5 .19028 .0286 .0120 .0260 .0489 0 .0084 0 |
|
MgX .25 .25 .5 .45 .0242 .0125 .0245 .0378 -.0009 .0119 -.0011 |
|
MnX .25 .25 .5 .02 .0242 .0125 .0245 .0378 -.0009 .0119 -.0011 |
|
FeX .25 .25 .5 .08 .0242 .0125 .0245 .0378 -.0009 .0119 -.0011 |
|
CrX .25 .25 .5 .12 .0242 .0125 .0245 .0378 -.0009 .0119 -.0011 |
|
AlX .25 .25 .5 .33 .0242 .0125 .0245 .0378 -.0009 .0119 -.0011 |
|
AlY .49572 .24633 .25492 .83 .0198 .0077 .0203 .0332 .0010 .0098 .0007 |
|
CrY .49572 .24633 .25492 .17 .0198 .0077 .0203 .0332 .0010 .0098 .0007 |
|
SiZ1 .08990 0 .0502 .0222 .0072 .0252 .0358 0 .0087 0 |
|
SiZ2 .24740 0 .1655 .0230 .0105 .0246 .0351 0 .0082 0 |
|
SiZ3 .40304 0 .4660 .0219 .0081 .0249 .0346 0 .0096 0 |
|
O1 .07125 .2247 .1368 .0250 .0127 .0266 .0380 -.0014 .0122 -.0019 |
|
O2 .24590 .2316 .2657 .0268 .0133 .0278 .0410 -.0023 .0096 -.0007 |
|
O3 .41705 .2230 .3672 .0243 .0143 .0268 .0345 .0033 .0134 .0017 |
|
O4 .4452 .5 .1319 .0211 .0089 .025 .030 0 .0060 0 |
|
Oh5 .4570 0 .1318 .0256 .013 .026 .039 0 .0066 0 |
|
O6 .0443 .5 .3689 .0239 .013 .024 .037 0 .0092 0 |
|
Oh7 .0338 0 .3703 .0258 .014 .028 .035 0 .0031 0 |
|
O8 .1758 0 .0364 .0255 .0080 .036 .033 0 .0057 0 |
|
O9 .1761 .5 .4793 .0287 .008 .038 .042 0 .0096 0 |
|
O10 .3138 0 .0680 .0300 .012 .043 .037 0 .0091 0 |
|
O11 .1854 0 .4988 .0298 .011 .037 .044 0 .0123 0 |
|
|
| 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) |
|
Hamada M, Akasaka M, Seto S, Makino K |
| |
American Mineralogist 95 (2010) 1294-1304 |
|
Crystal chemistry of chromian pumpellyite from Osayama, Okayama Prefecture, Japan |
|
Locality: Osayama ultramafic body, Okayama, Japan |
|
Sample: ocp1016 |
|
_database_code_amcsd 0017601 |
|
19.174 5.9194 8.830 90 97.497 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CaW1 .33953 .5 .25077 .0195 .0185 .0200 .0212 0 .0065 0 |
|
CaW2 .15443 .5 .19033 .0230 .0204 .0169 .0314 0 .0025 0 |
|
MgX .25 .25 .5 .48 .0197 .0204 .0167 .0228 .0007 .0067 -.0003 |
|
MnX .25 .25 .5 .02 .0197 .0204 .0167 .0228 .0007 .0067 -.0003 |
|
FeX .25 .25 .5 .09 .0197 .0204 .0167 .0228 .0007 .0067 -.0003 |
|
CrX .25 .25 .5 .10 .0197 .0204 .0167 .0228 .0007 .0067 -.0003 |
|
AlX .25 .25 .5 .31 .0197 .0204 .0167 .0228 .0007 .0067 -.0003 |
|
AlY .49569 .24607 .25472 .84 .0157 .0163 .0133 .0181 0 .0050 .0003 |
|
CrY .49569 .24607 .25472 .16 .0157 .0163 .0133 .0181 0 .0050 .0003 |
|
SiZ1 .09000 0 .0505 .0167 .0163 .0164 .0177 0 .0039 0 |
|
SiZ2 .24745 0 .1659 .0180 .0196 .0163 .0183 0 .0036 0 |
|
SiZ3 .40310 0 .4657 .0167 .0164 .0166 .0181 0 .0068 0 |
|
O1 .07116 .2253 .1366 .0210 .0184 .0201 .0253 .0009 .0063 .0008 |
|
O2 .2459 .2315 .2654 .0232 .0240 .0174 .0286 -.0015 .0050 .0031 |
|
O3 .41680 .2227 .3666 .0197 .0205 .0194 .0199 .0012 .0056 .0015 |
|
O4 .4452 .5 .1313 .0173 .017 .015 .021 0 .0051 0 |
|
Oh5 .4573 0 .1321 .0179 .019 .018 .018 0 .0060 0 |
|
O6 .0451 .5 .3692 .0193 .019 .017 .023 0 .0060 0 |
|
Oh7 .0337 0 .3694 .0219 .028 .018 .021 0 .0041 0 |
|
O8 .1759 0 .0362 .0205 .020 .026 .017 0 .0059 0 |
|
O9 .1752 .5 .4773 .0243 .018 .031 .024 0 .0060 0 |
|
O10 .3134 0 .0674 .0261 .023 .038 .018 0 .0069 0 |
|
O11 .1851 0 .4990 .0209 .019 .026 .020 0 .0098 0 |
|
H10 .320 0 .1794 .05 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinozoisite |
|
Nagashima M, Geiger C A, Akasaka M |
| |
American Mineralogist 94 (2009) 1351-1360 |
|
A crystal-chemical investigation of clinozoisite synthesized |
|
along the join Ca2Al3Si3O12(OH)-Ca2Al2CrSi3O12(OH) |
|
Locality: synthetic |
|
Note: T = 700 C, P = 1.2 GPa |
|
_database_code_amcsd 0004979 |
|
8.8889 5.6058 10.1513 90 115.284 90 P2_1/m |
|
atom x y z occ Biso |
|
Ca1 .7615 .75 .1558 .76 |
|
Ca2 .6045 .75 .4237 .92 |
|
AlM1 0 0 0 .75 .51 |
|
CrM1 0 0 0 .25 .51 |
|
AlM2 0 0 .5 .43 |
|
AlM3 .2909 .25 .2192 .63 .42 |
|
CrM3 .2909 .25 .2192 .37 .42 |
|
Si1 .3346 .75 .0440 .41 |
|
Si2 .6811 .25 .2744 .48 |
|
Si3 .1847 .75 .3225 .42 |
|
O1 .2358 .992 .0432 .70 |
|
O2 .305 .981 .349 .63 |
|
O3 .790 .015 .3466 .79 |
|
O4 .054 .25 .136 .6 |
|
O5 .043 .75 .153 .6 |
|
O6 .066 .75 .405 .5 |
|
O7 .518 .75 .177 .6 |
|
O8 .514 .25 .300 .9 |
|
O9 .639 .25 .106 1.0 |
|
O10 .076 .25 .418 .7 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinozoisite |
|
Nagashima M, Geiger C A, Akasaka M |
| |
American Mineralogist 94 (2009) 1351-1360 |
|
A crystal-chemical investigation of clinozoisite synthesized |
|
along the join Ca2Al3Si3O12(OH)-Ca2Al2CrSi3O12(OH) |
|
Note: T = 700 C, P = 1.2 GPa |
|
Locality: synthetic |
|
_database_code_amcsd 0004980 |
|
8.8859 5.6006 10.1500 90 115.322 90 P2_1/m |
|
atom x y z occ Biso |
|
Ca1 .7612 .75 .1561 .76 |
|
Ca2 .6090 .75 .4248 .92 |
|
AlM1 0 0 0 .78 .51 |
|
CrM1 0 0 0 .22 .51 |
|
AlM2 0 0 .5 .43 |
|
AlM3 .2889 .25 .2225 .72 .42 |
|
CrM3 .2889 .25 .2225 .28 .42 |
|
Si1 .3392 .75 .0463 .41 |
|
Si2 .6779 .25 .2753 .48 |
|
Si3 .1816 .75 .3191 .42 |
|
O1 .2390 .998 .0459 .70 |
|
O2 .3050 .980 .3514 .63 |
|
O3 .7867 .010 .3425 .79 |
|
O4 .0569 .25 .138 .6 |
|
O5 .041 .75 .142 .6 |
|
O6 .066 .75 .403 .5 |
|
O7 .520 .75 .181 .6 |
|
O8 .515 .25 .299 .9 |
|
O9 .636 .25 .107 1.0 |
|
O10 .073 .25 .417 .7 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinozoisite |
|
Nagashima M, Geiger C A, Akasaka M |
| |
American Mineralogist 94 (2009) 1351-1360 |
|
A crystal-chemical investigation of clinozoisite synthesized |
|
along the join Ca2Al3Si3O12(OH)-Ca2Al2CrSi3O12(OH) |
|
Locality: synthetic |
|
Note: T = 600 C, P = 1.2 GPa |
|
_database_code_amcsd 0004981 |
|
8.8814 5.6022 10.1480 90 115.320 90 P2_1/m |
|
atom x y z occ Biso |
|
Ca1 .7602 .75 .1533 .76 |
|
Ca2 .6072 .75 .4254 .92 |
|
AlM1 0 0 0 .79 .51 |
|
CrM1 0 0 0 .21 .51 |
|
AlM2 0 0 .5 .43 |
|
AlM3 .2902 .25 .2224 .72 .42 |
|
CrM3 .2902 .25 .2224 .28 .42 |
|
Si1 .3374 .75 .0486 .41 |
|
Si2 .6801 .25 .2747 .48 |
|
Si3 .1833 .75 .3187 .42 |
|
O1 .2336 .995 .0432 .70 |
|
O2 .3042 .985 .3535 .63 |
|
O3 .7846 .012 .3435 .79 |
|
O4 .052 .25 .137 .6 |
|
O5 .0423 .75 .145 .6 |
|
O6 .062 .75 .401 .5 |
|
O7 .520 .75 .1775 .6 |
|
O8 .517 .25 .301 .9 |
|
O9 .639 .25 .107 1.0 |
|
O10 .073 .25 .4187 .7 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinozoisite |
|
Nagashima M, Geiger C A, Akasaka M |
| |
American Mineralogist 94 (2009) 1351-1360 |
|
A crystal-chemical investigation of clinozoisite synthesized |
|
along the join Ca2Al3Si3O12(OH)-Ca2Al2CrSi3O12(OH) |
|
Locality: synthetic |
|
Note: T = 700 C, P = 1.2 GPa |
|
_database_code_amcsd 0004982 |
|
8.8806 5.5973 10.1465 90 115.312 90 P2_1/m |
|
atom x y z occ Biso |
|
Ca1 .7631 .75 .1550 .76 |
|
Ca2 .6101 .75 .4260 .92 |
|
AlM1 0 0 0 .88 .51 |
|
CrM1 0 0 0 .12 .51 |
|
AlM2 0 0 .5 .43 |
|
AlM3 .2908 .25 .2208 .84 .42 |
|
CrM3 .2908 .25 .2208 .16 .42 |
|
Si1 .3359 .75 .0478 .41 |
|
Si2 .6799 .25 .2729 .48 |
|
Si3 .1801 .75 .3164 .42 |
|
O1 .2350 .999 .0421 .70 |
|
O2 .2989 .986 .3485 .63 |
|
O3 .7915 .019 .3449 .79 |
|
O4 .051 .25 .134 .6 |
|
O5 .040 .75 .141 .6 |
|
O6 .064 .75 .406 .5 |
|
O7 .521 .75 .179 .6 |
|
O8 .512 .25 .297 .9 |
|
O9 .641 .25 .109 1.0 |
|
O10 .076 .25 .420 .7 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Sursassite |
|
Nagashima M, Akasaka M, Minakawa T, Libowitzky E, Armbruster T |
| |
American Mineralogist 94 (2009) 1440-1449 |
|
Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth |
|
Locality: Falotta, Switzerland |
|
Sample Number: 1 |
|
_database_code_amcsd 0004986 |
|
8.7201 5.8053 9.8075 90 109.011 90 P2_1/m |
|
atom x y z occ |
|
Mn1 .16884 .25 .31355 |
|
Mn2 .27223 .25 .67531 |
|
Al1 .5 0 .5 |
|
Al2 .5 0 0 |
|
Al3 0 .5 0 |
|
Si1 .30787 .75 .19109 |
|
Si2 .20691 .75 .80740 |
|
Si3 .15557 .75 .49480 |
|
O1 .2608 .5139 .5013 |
|
O2 .1916 .5248 .1631 |
|
O3 .3146 .5180 .8332 |
|
O4 .4148 .75 .0810 |
|
O5 .4491 .75 .3517 |
|
O6 .0844 .25 .9289 |
|
O7 .4379 .25 .3690 |
|
O8 .0718 .75 .8926 |
|
O9 .0902 .75 .6360 |
|
O10 -.0103 .75 .3573 |
|
O11 .4114 .25 .0713 |
|
H6A .05 .25 .8235 .5 |
|
H6B .203 .25 .952 .5 |
|
H7 .454 .25 .275 |
|
H11A .294 .25 .052 .5 |
|
H11B .40 .254 .168 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Sursassite |
|
Nagashima M, Akasaka M, Minakawa T, Libowitzky E, Armbruster T |
| |
American Mineralogist 94 (2009) 1440-1449 |
|
Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth |
|
Locality: New Brunswick, Canada |
|
Sample Number: 2 |
|
_database_code_amcsd 0004987 |
|
8.709 5.7939 9.779 90 108.953 90 P2_1/m |
|
atom x y z |
|
Mn1 .1700 .25 .3131 |
|
Mn2 .2717 .25 .6748 |
|
Al1 .5 0 .5 |
|
Al2 .5 0 0 |
|
Al3 0 .5 0 |
|
Si1 .3072 .75 .1917 |
|
Si2 .2065 .75 .8067 |
|
Si3 .1545 .75 .4941 |
|
O1 .2601 .5132 .5005 |
|
O2 .1907 .5246 .1630 |
|
O3 .3142 .5177 .8332 |
|
O4 .4141 .75 .0807 |
|
O5 .4487 .75 .3515 |
|
O6 .0848 .25 .9294 |
|
O7 .4373 .25 .3690 |
|
O8 .0714 .75 .8935 |
|
O9 .0893 .75 .6366 |
|
O10 -.0112 .75 .3565 |
|
O11 .4121 .25 .0728 |
|
H6A .06 .25 .824 |
|
H7 .44 .25 .269 |
|
H11A .2932 .25 .034 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Sursassite |
|
Nagashima M, Akasaka M, Minakawa T, Libowitzky E, Armbruster T |
| |
American Mineralogist 94 (2009) 1440-1449 |
|
Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth |
|
Locality: Kamisugai, Japan |
|
Sample Number: 3 |
|
_database_code_amcsd 0004988 |
|
8.7278 5.8065 9.8121 90 109.060 90 P2_1/m |
|
atom x y z |
|
Mn1 .1706 .25 .31322 |
|
Mn2 .2763 .25 .67528 |
|
Al1 .5 0 .5 |
|
Al2 .5 0 0 |
|
Al3 0 .5 0 |
|
Si1 .3071 .75 .1906 |
|
Si2 .2071 .75 .8072 |
|
Si3 .1532 .75 .4952 |
|
O1 .2566 .5130 .5004 |
|
O2 .1908 .5258 .1628 |
|
O3 .3151 .5191 .8328 |
|
O4 .4142 .75 .0800 |
|
O5 .4492 .75 .3492 |
|
OH6 .0841 .25 .9283 |
|
OH7 .4373 .25 .3682 |
|
O8 .0726 .75 .8938 |
|
O9 .0886 .75 .6369 |
|
O10 -.0131 .75 .3569 |
|
OH11 .4106 .25 .0696 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Sursassite |
|
Nagashima M, Akasaka M, Minakawa T, Libowitzky E, Armbruster T |
| |
American Mineralogist 94 (2009) 1440-1449 |
|
Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth |
|
Locality: Kamogawa, Japan |
|
Sample Number: 4 |
|
_database_code_amcsd 0004989 |
|
8.7065 5.7978 9.7946 90 108.938 90 P2_1/m |
|
atom x y z occ |
|
Mn1 .16902 .25 .31367 |
|
Mn2 .27275 .25 .67567 |
|
Al1 .5 0 .5 |
|
Al2 .5 0 0 |
|
Al3 0 .5 0 |
|
Si1 .3071 .75 .1913 |
|
Si2 .2067 .75 .8080 |
|
Si3 .1554 .75 .4950 |
|
O1 .2607 .5138 .5017 |
|
O2 .1907 .5248 .1628 |
|
O3 .3145 .5180 .8339 |
|
O4 .4152 .75 .0820 |
|
O5 .4484 .75 .3521 |
|
O6 .0843 .25 .9291 |
|
O7 .4381 .25 .3684 |
|
O8 .0720 .75 .8943 |
|
O9 .0899 .75 .6370 |
|
O10 -.0107 .75 .3575 |
|
O11 .4119 .25 .0717 |
|
H6A .06 .25 .824 .5 |
|
H6B .199 .25 .94 .5 |
|
H7 .44 .25 .268 |
|
H11A .297 .25 .06 .5 |
|
H11B .43 .25 .176 .5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Sursassite |
|
Nagashima M, Akasaka M, Minakawa T, Libowitzky E, Armbruster T |
| |
American Mineralogist 94 (2009) 1440-1449 |
|
Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth |
|
Locality: Molinello, Italy |
|
Sample Number: 5 |
|
_database_code_amcsd 0004990 |
|
8.6982 5.7887 9.7777 90 108.918 90 P2_1/m |
|
atom x y z occ |
|
Mn1 .16738 .25 .31398 |
|
Mn2 .26707 .25 .67527 |
|
Al1 .5 0 .5 |
|
Al2 .5 0 0 |
|
Al3 0 .5 0 |
|
Si1 .3078 .75 .1925 |
|
Si2 .2069 .75 .8078 |
|
Si3 .1573 .75 .4944 |
|
O1 .2654 .5140 .5027 |
|
O2 .1916 .5238 .1637 |
|
O3 .3143 .5174 .8342 |
|
O4 .4154 .75 .0823 |
|
O5 .4482 .75 .3542 |
|
O6 .0848 .25 .9295 |
|
O7 .4390 .25 .3692 |
|
O8 .0717 .75 .8940 |
|
O9 .0912 .75 .6363 |
|
O10 -.0074 .75 .3574 |
|
O11 .4129 .25 .0738 |
|
H6A .05 .25 .824 .5 |
|
H6B .201 .25 .94 .5 |
|
H7 .325 .25 .31 |
|
H11A .295 .25 .05 .5 |
|
H11B .40 .25 .168 .5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Sursassite |
|
Nagashima M, Akasaka M, Minakawa T, Libowitzky E, Armbruster T |
| |
American Mineralogist 94 (2009) 1440-1449 |
|
Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth |
|
Locality: Molinello, Italy |
|
Sample Number: 6 |
|
_database_code_amcsd 0004991 |
|
8.716 5.799 9.794 90 108.985 90 P2_1/m |
|
atom x y z |
|
Mn1 .1699 .25 .3132 |
|
Mn2 .2716 .25 .6753 |
|
Al1 .5 0 .5 |
|
Al2 .5 0 0 |
|
Al3 0 .5 0 |
|
Si1 .3072 .75 .1919 |
|
Si2 .2064 .75 .8076 |
|
Si3 .1545 .75 .4945 |
|
O1 .2617 .514 .5015 |
|
O2 .1912 .525 .1639 |
|
O3 .3134 .521 .8328 |
|
O4 .414 .75 .0805 |
|
O5 .448 .75 .351 |
|
OH6 .085 .25 .9288 |
|
OH7 .438 .25 .3695 |
|
O8 .0732 .75 .8939 |
|
O9 .0901 .75 .6376 |
|
O10 -.008 .75 .3568 |
|
OH11 .413 .25 .0723 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Sursassite |
|
Nagashima M, Akasaka M, Minakawa T, Libowitzky E, Armbruster T |
| |
American Mineralogist 94 (2009) 1440-1449 |
|
Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth |
|
Locality: Gambatesa, Italy |
|
Sample Number: 7 |
|
_database_code_amcsd 0004992 |
|
8.715 5.7981 9.798 90 108.879 90 P2_1/m |
|
atom x y z |
|
Mn1 .1677 .25 .3142 |
|
Mn2 .2693 .25 .6760 |
|
Al1 .5 0 .5 |
|
Al2 .5 0 0 |
|
Al3 0 .5 0 |
|
Si1 .3074 .75 .1923 |
|
Si2 .2066 .75 .8077 |
|
Si3 .1566 .75 .4947 |
|
O1 .2638 .5135 .5027 |
|
O2 .1912 .5245 .1631 |
|
O3 .3146 .5184 .8353 |
|
O4 .4161 .75 .0829 |
|
O5 .4459 .75 .3532 |
|
OH6 .0845 .25 .9291 |
|
O7 .4391 .25 .3679 |
|
O8 .0719 .75 .8934 |
|
O9 .0921 .75 .6375 |
|
O10 -.0078 .75 .3571 |
|
O11 .4130 .25 .0731 |
|
H7 .45 .25 .27 |
|
H11B .48 .25 .176 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Piemontite |
|
Nagashima M, Armbruster T, Akasaka M, Minakawa T |
| |
Journal of Mineralogical and Petrological Sciences 105 (2010) 142-150 |
|
Crystal chemistry of Mn2+-, Sr-rich and REE-bearing piemontite from the |
|
Kamisugai mine in the Sambagawa metamorphic belt, Shikoku, Japan |
|
Locality: Kamisugai mine, Sambagawa metamorphic belt, Shikoku, Japan |
|
_database_code_amcsd 0018299 |
|
8.8673 5.6747 10.1594 90 114.719 90 P2_1/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CaAl .7574 .75 .1527 .59 .0157 .0212 .0128 .0171 0 .0119 0 |
|
MnAl .7574 .75 .1527 .41 .0157 .0212 .0128 .0171 0 .0119 0 |
|
CaA2 .5950 .75 .42469 .71 .0087 .0069 .0124 .0056 0 .0015 0 |
|
SrA2 .5950 .75 .42469 .19 .0087 .0069 .0124 .0056 0 .0015 0 |
|
LaA2 .5950 .75 .42469 .03 .0087 .0069 .0124 .0056 0 .0015 0 |
|
CeA2 .5950 .75 .42469 .05 .0087 .0069 .0124 .0056 0 .0015 0 |
|
NdA2 .5950 .75 .42469 .02 .0087 .0069 .0124 .0056 0 .0015 0 |
|
AlMl 0 0 0 .72 .0085 .0090 .0056 .0103 -.0005 .0033 .0004 |
|
MnMl 0 0 0 .17 .0085 .0090 .0056 .0103 -.0005 .0033 .0004 |
|
FeMl 0 0 0 .77 .0085 .0090 .0056 .0103 -.0005 .0033 .0004 |
|
AlM2 0 0 .5 .0088 .0086 .0062 .0119 -.0002 .0045 -.0007 |
|
AlM3 .2999 .25 .2193 .11 .0096 .0087 .0082 .0096 0 .0015 0 |
|
MnM3 .2999 .25 .2193 .55 .0096 .0087 .0082 .0096 0 .0015 0 |
|
FeM3 .2999 .25 .2193 .34 .0096 .0087 .0082 .0096 0 .0015 0 |
|
Sil .3433 .75 .0428 .0102 .0100 .0089 .0114 0 .0043 0 |
|
Si2 .6890 .25 .2757 .0103 .0106 .0084 .0125 0 .0056 0 |
|
Si3 .1854 .75 .3193 .0097 .0100 .0097 .0107 0 .0057 0 |
|
O1 .2368 .9927 .0347 .0165 .018 .009 .026 .002 .012 .001 |
|
O2 .3066 .9782 .3545 .0148 .014 .016 .015 -.003 .007 -.001 |
|
O3 .8009 .0143 .3340 .0165 .013 .008 .022 .001 .001 .000 |
|
O4 .0563 .25 .1305 .0127 .015 .011 .013 0 .007 0 |
|
O5 .0411 .75 .1492 .0136 .012 .013 .015 0 .005 0 |
|
O6 .0742 .75 .4140 .0125 .015 .009 .018 0 .012 0 |
|
O7 .5170 .75 .1785 .019 .016 .017 .016 0 .001 0 |
|
O8 .5340 .25 .3201 .020 .017 .025 .026 0 .016 0 |
|
O9 .6163 .25 .0999 .024 .028 .033 .014 0 .011 0 |
|
O10 .0885 .25 .4329 .87 .0117 .013 .010 .016 0 .010 0 |
|
H10 .03 .25 .327 .87 .05 |
|
|
| 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) |
|
Nagashima M, Akasaka M, Ikeda K, Kyono A, Makino K |
| |
Journal of Mineralogical and Petrological Sciences 105 (2010) 187-193 |
|
X-ray single-crystal and optical spectroscopic study of chromian pumpellyite |
|
from Sarany, Urals, Russia |
|
Locality: Sarany, Ural Mountains, Russia |
|
_database_code_amcsd 0018298 |
|
8.807 5.943 19.18 90 97.44 90 A2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CaW1 .25077 .5 .33966 .00655 .0069 .0084 .0045 0 .00147 0 |
|
CaW2 .18917 .5 .15457 .00911 .0163 .0056 .0049 0 -.0007 0 |
|
MgX .5 .25 .25 .490 .0043 .0049 .0039 .0043 0 .0012 0 |
|
CrX .5 .25 .25 .308 .0043 .0049 .0039 .0043 0 .0012 0 |
|
AlX .5 .25 .25 .202 .0043 .0049 .0039 .0043 0 .0012 0 |
|
AlY .25431 .24666 .49562 .742 .00370 .0041 .0040 .0030 -.00010 .00091 .00007 |
|
CrY .25431 .24666 .49562 .258 .00370 .0041 .0040 .0030 -.00010 .00091 .00007 |
|
SiZ1 .05059 0 .09043 .00461 .0047 .0049 .0041 0 .0003 0 |
|
SiZ2 .16573 0 .24804 .00511 .0058 .0051 .0042 0 .0000 0 |
|
SiZ3 .46542 0 .40274 .00479 .0048 .0061 .0035 0 .0008 0 |
|
O1 .13765 .2251 .07205 .0066 .0077 .0066 .0054 -.0004 .0008 -.0005 |
|
O2 .26625 .2308 .24618 .0071 .0094 .0064 .0052 -.0002 -.0001 .0001 |
|
O3 .36692 .2231 .41643 .0071 .0088 .0065 .0063 .0008 .0018 .0007 |
|
O4 .1309 .5 .44493 .0052 .0058 .0054 .0044 0 .0004 0 |
|
Oh5 .1309 .5 .45754 .0075 .0066 .0095 .0060 0 -.0005 0 |
|
O6 .3697 .5 .04490 .0061 .0057 .0075 .0049 0 .0004 0 |
|
Oh7 .3700 0 .03388 .0085 .0059 .0087 .0105 0 .0005 0 |
|
O8 .0353 0 .17616 .0064 .0062 .0101 .0026 0 -.0003 0 |
|
O9 .4769 .5 .17662 .0083 .0073 .0144 .0033 0 .0007 0 |
|
Oh10 .0666 0 .31382 .0095 .0078 .0169 .0038 0 .0009 0 |
|
Oh11 .5024 .5 .31525 .0081 .0074 .0115 .0056 0 .0017 0 |
|
H5 .0200 0 .459 .05 |
|
H7 .4818 0 .045 .05 |
|
H10 .121 0 .3619 .05 |
|
H11 .578 .5 .3579 .05 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
