|
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 |
|
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)
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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 |
|
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 |
|
|
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|
| |
|
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 |
|
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)
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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 |
|
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)
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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 |
|
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 |
|
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)
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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 |
|
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)
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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 |
|
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 |
|
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 |
|
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 |
|
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)
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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 |
|
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)
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View JMOL 3-D Structure
|
| |
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