|
CaMg2Al6O12 |
| |
Miura H, Hamada Y, Suzuki T, Akaogi M, Miyajima N, Fujino K |
| |
American Mineralogist 85 (2000) 1799-1803 |
|
Crystal structure of MaMg2Al6O12, a new Al-rich high pressure form |
|
8.7616 8.7616 2.7850 90 90 120 P6_3/m |
|
atom x y z occ Biso |
|
Ca 0 0 .25 .5 2.9 |
|
Mg 2/3 1/3 .25 1.8 |
|
Al -.010 .342 .25 1.5 |
|
O1 .134 .601 .25 0.0 |
|
O2 .306 .197 .25 0.5 |
|
|
| 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 = 0.5, 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 |
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AlM1 0 0 0 .99 |
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MnM1 0 0 0 .01 |
|
AlM2 0 0 1/2 .96 |
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AlM2 0 0 1/2 .04 |
|
AlM3 .298 1/4 .222 .55 |
|
MnM3 .298 1/4 .222 .45 |
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Si1 .332 3/4 .046 |
|
Si2 .682 1/4 .275 |
|
Si3 .186 3/4 .317 |
|
O1 .232 .991 .036 |
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O2 .301 .986 .358 |
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O3 .789 .013 .352 |
|
O4 .065 1/4 .135 |
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O5 .042 3/4 .147 |
|
O6 .063 3/4 .399 |
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O7 .521 3/4 .181 |
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O8 .521 1/4 .303 |
|
O9 .632 1/4 .095 |
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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 |
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Ca2 .603 3/4 .424 |
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AlM1 0 0 0 .92 |
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MnM1 0 0 0 .08 |
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AlM2 0 0 1/2 .98 |
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MnM2 0 0 1/2 .02 |
|
AlM3 .295 1/4 .223 .35 |
|
MnM3 .295 1/4 .223 .65 |
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Si1 .337 3/4 .045 |
|
Si2 .681 1/4 .275 |
|
Si3 .186 3/4 .320 |
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O1 .235 .989 .034 |
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O2 .305 .980 .355 |
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O3 .794 .017 .343 |
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O4 .064 1/4 .132 |
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O5 .042 3/4 .148 |
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O6 .068 3/4 .406 |
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O7 .517 3/4 .181 |
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O8 .522 1/4 .309 |
|
O9 .621 1/4 .095 |
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OH10 .080 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 = 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 |
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AlM1 0 0 0 .87 |
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MnM1 0 0 0 .13 |
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AlM2 0 0 1/2 .97 |
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MnM2 0 0 1/2 .03 |
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AlM3 .298 1/4 .222 .42 |
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MnM3 .298 1/4 .222 .58 |
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Si1 .337 3/4 .045 |
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Si2 .685 1/4 .275 |
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Si3 .188 3/4 .319 |
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O1 .231 .990 .034 |
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O2 .308 .979 .358 |
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O3 .794 .017 .342 |
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O4 .059 1/4 .133 |
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O5 .044 3/4 .149 |
|
O6 .065 3/4 .405 |
|
O7 .515 3/4 .173 |
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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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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 |
|
8.8531 5.6741 10.1613 90 115.519 90 P2_1/m |
|
atom x y z occ |
|
Ca1 .756 3/4 .156 |
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Ca2 .601 3/4 .424 |
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AlM1 0 0 0 .86 |
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MnM1 0 0 0 .14 |
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AlM2 0 0 1/2 .95 |
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MnM2 0 0 1/2 .05 |
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AlM3 .300 1/4 .221 .19 |
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MnM3 .300 1/4 .221 .81 |
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Si1 .335 3/4 .046 |
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Si2 .687 1/4 .274 |
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Si3 .184 3/4 .321 |
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O1 .236 .982 .033 |
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O2 .310 .974 .359 |
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O3 .794 .018 .336 |
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O4 .061 1/4 .133 |
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O5 .038 3/4 .151 |
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O6 .070 3/4 .407 |
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O7 .519 3/4 .189 |
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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 |
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Ca2 .599 3/4 .424 |
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AlM1 0 0 0 .80 |
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MnM1 0 0 0 .20 |
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AlM2 0 0 1/2 |
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AlM3 .297 1/4 .222 .20 |
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MnM3 .297 1/4 .222 .80 |
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Si1 .335 3/4 .043 |
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Si2 .685 1/4 .274 |
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Si3 .187 3/4 .318 |
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O1 .233 .986 .030 |
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O2 .308 .975 .353 |
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O3 .795 .019 .338 |
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O4 .064 1/4 .136 |
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O5 .043 3/4 .147 |
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O6 .066 3/4 .407 |
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O7 .514 3/4 .181 |
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O8 .524 1/4 .310 |
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O9 .617 1/4 .094 |
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OH10 .080 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 = 1.04, 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 |
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AlM1 0 0 0 .84 |
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MnM1 0 0 0 .16 |
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AlM2 0 0 1/2 .95 |
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MnM2 0 0 1/2 .05 |
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AlM3 .300 1/4 .221 .17 |
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MnM3 .300 1/4 .221 .83 |
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Si1 .335 3/4 .043 |
|
Si2 .688 1/4 .274 |
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Si3 .187 3/4 .321 |
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O1 .237 .984 .031 |
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O2 .311 .981 .355 |
|
O3 .793 .017 .336 |
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O4 .062 1/4 .134 |
|
O5 .043 3/4 .148 |
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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 |
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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 |
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Ca2 .598 3/4 .424 |
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AlM1 0 0 0 .81 |
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MnM1 0 0 0 .19 |
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AlM2 0 0 1/2 .99 |
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MnM2 0 0 1/2 .01 |
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AlM3 .299 1/4 .222 .17 |
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MnM3 .299 1/4 .222 .83 |
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Si1 .334 3/4 .042 |
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Si2 .686 1/4 .274 |
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Si3 .188 3/4 .320 |
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O1 .238 .986 .031 |
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O2 .310 .981 .358 |
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O3 .792 .022 .335 |
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O4 .063 1/4 .131 |
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O5 .046 3/4 .151 |
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O6 .070 3/4 .411 |
|
O7 .511 3/4 .182 |
|
O8 .523 1/4 .306 |
|
O9 .610 1/4 .090 |
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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 |
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Ca2 .595 3/4 .421 |
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AlM1 0 0 0 .73 |
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MnM1 0 0 0 .27 |
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AlM2 0 0 1/2 .95 |
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MnM2 0 0 1/2 .05 |
|
AlM3 .304 1/4 .222 .06 |
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MnM3 .304 1/4 .222 .94 |
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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)
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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 = 1.25, 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 |
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AlM1 0 0 0 .68 |
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MnM1 0 0 0 .32 |
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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 |
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AlM1 0 0 0 .69 |
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MnM1 0 0 0 .31 |
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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)
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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 = 1.75, 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 |
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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
|
| |
|
MgAl2O4 |
| |
Kojitani H, Hisatomi R, Akaogi M |
 |
American Mineralogist 92 (2007) 1112-1118 |
|
High-pressure relations and crystal chemistry of calcium ferrite-type solid |
|
solutions in the system MgAl2O4-Mg2SiO4 |
|
Note: synthesized from MgAl2O4 spinel at 27 GPa and 2200 C |
|
Note: data collected at room conditinos |
|
9.9498 8.6468 2.7901 90 90 90 Pbnm |
|
atom x y z Biso |
|
Mg .3503 .7576 .25 .64 |
|
Al1 .3854 .4388 .25 .39 |
|
Al2 .8964 .4159 .25 .30 |
|
O1 .8344 .2005 .25 1.59 |
|
O2 .5279 .1201 .25 .84 |
|
O3 .2150 .5357 .25 .88 |
|
O4 .5709 .4089 .25 1.57 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Stishovite |
|
Endo S, Akai T, Akahama Y, Wakatsuki M, Nakamura T, Tomii Y, Koto K, Ito Y, Tokonami M |
| |
Physics and Chemistry of Minerals 13 (1986) 146-151 |
|
High temperature X-ray study of single crystal stishovite |
|
synthesized with Li2WO4 as flux |
|
Sample: T = 27 C |
|
4.1811 4.1811 2.6665 90 90 90 P4_2/mnm |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si 0 0 0 .18 .0031 .0031 .0046 -.0000 0 0 |
|
O .3058 .3058 0 .26 .0038 .0038 .0097 -.0022 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Stishovite |
|
Endo S, Akai T, Akahama Y, Wakatsuki M, Nakamura T, Tomii Y, Koto K, Ito Y, Tokonami M |
| |
Physics and Chemistry of Minerals 13 (1986) 146-151 |
|
High temperature X-ray study of single crystal stishovite |
|
synthesized with Li2WO4 as flux |
|
Sample: T = 100 C |
|
4.1834 4.1834 2.6673 90 90 90 P4_2/mnm |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si 0 0 0 .27 .0040 .0040 .0089 -.0006 0 0 |
|
O .3059 .3059 0 .34 .0046 .0046 .0141 -.0019 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Stishovite |
|
Endo S, Akai T, Akahama Y, Wakatsuki M, Nakamura T, Tomii Y, Koto K, Ito Y, Tokonami M |
| |
Physics and Chemistry of Minerals 13 (1986) 146-151 |
|
High temperature X-ray study of single crystal stishovite |
|
synthesized with Li2WO4 as flux |
|
Sample: T = 200 C |
|
4.1865 4.1865 2.6684 90 90 90 P4_2/mnm |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si 0 0 0 .25 .0045 .0045 .0043 .0001 0 0 |
|
O .3059 .3059 0 .33 .0052 .0052 .0102 -.0034 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Stishovite |
|
Endo S, Akai T, Akahama Y, Wakatsuki M, Nakamura T, Tomii Y, Koto K, Ito Y, Tokonami M |
| |
Physics and Chemistry of Minerals 13 (1986) 146-151 |
|
High temperature X-ray study of single crystal stishovite |
|
synthesized with Li2WO4 as flux |
|
Sample: T = 300 C |
|
4.1898 4.1898 2.6694 90 90 90 P4_2/mnm |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si 0 0 0 .31 .0053 .0053 .0058 -.0007 0 0 |
|
O .3057 .3057 0 .38 .0062 .0062 .0108 -.0031 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Stishovite |
|
Endo S, Akai T, Akahama Y, Wakatsuki M, Nakamura T, Tomii Y, Koto K, Ito Y, Tokonami M |
| |
Physics and Chemistry of Minerals 13 (1986) 146-151 |
|
High temperature X-ray study of single crystal stishovite |
|
synthesized with Li2WO4 as flux |
|
Sample: T = 400 C |
|
4.1929 4.1929 2.6704 90 90 90 P4_2/mnm |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si 0 0 0 .45 .0065 .0065 .0164 -.0001 0 0 |
|
O .3053 .3053 0 .47 .0066 .0066 .0186 -.0035 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
SrSi2O5 |
| |
Kojitani H, Kido M, Akaogi M |
| |
Physics and Chemistry of Minerals 32 (2005) 290-294 |
|
Rietveld analysis of a new high-pressure strontium silicate SrSi2O5 |
|
BaGe2O5 III-type structure |
|
5.2389 9.2803 13.4406 90 90 90 Cmca |
|
atom x y z Biso |
|
Sr 0 .3404 .0827 1.35 |
|
Si1 0 .6753 .1821 .81 |
|
Si2 0 .0058 .1377 .30 |
|
O1 0 .5148 .2480 1.53 |
|
O2 0 .8320 .1029 0 |
|
O3 .25 .2427 .25 .66 |
|
O4 .2517 .0896 .0965 .42 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Perovskite-type MgSiO3 |
| |
Kojitani H, Katsura T, Akaogi M |
| |
Physics and Chemistry of Minerals 34 (2007) 257-267 |
|
Aluminum substitution mechanisms in perovskite-type MgSiO3: an investigation by Rietveld analysis |
|
Sample: Nonstoichiometric with XAl = 0.05 |
|
4.7785 4.9326 6.9059 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Mg .9863 .0530 .25 .99 1.00 |
|
Al .9863 .0530 .25 .01 1.00 |
|
Si 0 .5 0 .96 .36 |
|
Al 0 .5 0 .04 .36 |
|
O1 .1006 .4662 .25 .995 1.05 |
|
O2 .6983 .2958 .0538 .995 .85 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Perovskite-type MgSiO3 |
| |
Kojitani H, Katsura T, Akaogi M |
| |
Physics and Chemistry of Minerals 34 (2007) 257-267 |
|
Aluminum substitution mechanisms in perovskite-type MgSiO3: an investigation by Rietveld analysis |
|
Sample: Nonstoichiometric with XAl = 0.10 |
|
4.7769 4.9336 6.9085 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Mg .9886 .0561 .25 .97 .30 |
|
Al .9886 .0561 .25 .03 .30 |
|
Si 0 .5 0 .93 .15 |
|
Al 0 .5 0 .07 .15 |
|
O1 .1058 .4628 .25 .993 .82 |
|
O2 .6983 .2967 .0533 .993 .65 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Perovskite-type MgSiO3 |
| |
Kojitani H, Katsura T, Akaogi M |
| |
Physics and Chemistry of Minerals 34 (2007) 257-267 |
|
Aluminum substitution mechanisms in perovskite-type MgSiO3: an investigation by Rietveld analysis |
|
Sample: Stoichiometric with XAl = 0.05 |
|
4.7783 4.9327 6.9051 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Mg .9848 .0556 .25 .975 .69 |
|
Al .9847 .0548 .25 .025 .69 |
|
Si 0 .5 0 .975 .76 |
|
Al 0 .5 0 .025 .76 |
|
O1 .1058 .4640 .25 .9 |
|
O2 .6944 .2986 .0529 .9 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Perovskite-type MgSiO3 |
| |
Kojitani H, Katsura T, Akaogi M |
| |
Physics and Chemistry of Minerals 34 (2007) 257-267 |
|
Aluminum substitution mechanisms in perovskite-type MgSiO3: an investigation by Rietveld analysis |
|
Sample: Stoichiometric with XAl = 0.10 |
|
4.7767 4.9342 6.9130 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Mg .9727 .0462 .25 .95 .59 |
|
Al .9727 .0462 .25 .05 .59 |
|
Si 0 .5 0 .95 .34 |
|
Al 0 .5 0 .05 .34 |
|
O1 .1079 .4481 .25 .9 |
|
O2 .6955 .2978 .0570 .9 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hydromagnesite |
|
Akao M, Iwai S |
 |
Acta Crystallographica B33 (1977) 1273-1275 |
|
The hydrogen bonding of hydromagnesite |
|
10.105 8.954 8.378 90 114.44 90 P2_1/c |
|
atom x y z Biso |
|
Mg1 .34502 .06865 .35897 |
|
Mg11 .34474 .43518 .49177 |
|
Mg2 0 0 0 |
|
C1 .08223 .26599 .27463 |
|
C2 .47277 .33128 .23558 |
|
Oh .22455 .97967 .11721 |
|
Ow1 .24791 .61189 .30117 |
|
Ow2 .23813 .92381 .45921 |
|
O1 .00878 .17176 .16220 |
|
O11 .01677 .37440 .30587 |
|
O2 .22288 .25692 .35464 |
|
O3 .43075 .19566 .21587 |
|
O4 .49221 .40165 .37848 |
|
O44 .49778 .39688 .1140 |
|
H1 .230 .896 .116 3.4 |
|
H2 .163 .633 .278 3.5 |
|
H3 .289 .684 .356 3.3 |
|
H4 .145 .911 .385 4.2 |
|
H5 .243 .915 .566 4.3 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Artinite |
|
Akao M, Iwai S |
|
Acta Crystallographica B33 (1977) 3951-3953 |
|
The hydrogen bonding of artinite |
|
Note: anisotropic displacement parameters obtained from ICSD |
|
16.560 3.153 6.231 90 99.10 90 C2/m |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg .31587 0 .15203 .0102 .0090 .0100 0 -.0014 0 |
|
C .42330 0 .62026 .5 .0115 .0172 .0092 0 .0021 0 |
|
Oh .23884 .5 .17079 .0129 .0102 .0096 0 .0025 0 |
|
Ow .39988 .5 .08992 .0099 .0167 .0134 0 .0011 0 |
|
O1 .36702 0 .46852 .0223 .0248 .0162 0 -.0049 0 |
|
O2 .45155 .35820 .70358 .5 .0167 .0185 .0194 -.0014 -.0023 -.0015 |
|
H1 .222 .5 .275 3.5 |
|
H2 .443 .5 .174 2.7 |
|
H3 .408 .5 .039 3.3 |
|
H4 .395 .195 .528 .5 5.7 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Diamond |
|
Straumanis M E, Aka E Z |
| |
Journal of the American Chemical Society 73 (1951) 5643-5646 |
|
Precision determination of lattice parameter, coefficient of thermal expansion |
|
and atomic weight of carbon in diamond |
|
Locality: Belgian Congo |
|
Sample: at T = 10 C |
|
Note: Diamond #1, lattice parameter is average of three runs |
|
3.56669 3.56669 3.56669 90 90 90 Fd3m |
|
atom x y z |
|
C 0 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diamond |
|
Straumanis M E, Aka E Z |
| |
Journal of the American Chemical Society 73 (1951) 5643-5646 |
|
Precision determination of lattice parameter, coefficient of thermal expansion |
|
and atomic weight of carbon in diamond |
|
Locality: Belgian Congo |
|
Sample: at T = 20 C |
|
Note: Diamond #1, lattice parameter is average of three runs |
|
3.56672 3.56672 3.56672 90 90 90 Fd3m |
|
atom x y z |
|
C 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diamond |
|
Straumanis M E, Aka E Z |
| |
Journal of the American Chemical Society 73 (1951) 5643-5646 |
|
Precision determination of lattice parameter, coefficient of thermal expansion |
|
and atomic weight of carbon in diamond |
|
Locality: Belgian Congo |
|
Sample: at T = 30 C |
|
Note: Diamond #1, lattice parameter is average of three runs |
|
3.56678 3.56678 3.56678 90 90 90 Fd3m |
|
atom x y z |
|
C 0 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diamond |
|
Straumanis M E, Aka E Z |
| |
Journal of the American Chemical Society 73 (1951) 5643-5646 |
|
Precision determination of lattice parameter, coefficient of thermal expansion |
|
and atomic weight of carbon in diamond |
|
Locality: Belgian Congo |
|
Sample: at T = 40 C |
|
Note: Diamond #1, lattice parameter is average of three runs |
|
3.56684 3.56684 3.56684 90 90 90 Fd3m |
|
atom x y z |
|
C 0 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diamond |
|
Straumanis M E, Aka E Z |
| |
Journal of the American Chemical Society 73 (1951) 5643-5646 |
|
Precision determination of lattice parameter, coefficient of thermal expansion |
|
and atomic weight of carbon in diamond |
|
Locality: Belgian Congo |
|
Sample: at T = 50 C |
|
Note: Diamond #1, lattice parameter is average of three runs |
|
3.56690 3.56690 3.56690 90 90 90 Fd3m |
|
atom x y z |
|
C 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diamond |
|
Straumanis M E, Aka E Z |
| |
Journal of the American Chemical Society 73 (1951) 5643-5646 |
|
Precision determination of lattice parameter, coefficient of thermal expansion |
|
and atomic weight of carbon in diamond |
|
Locality: Belgian Congo |
|
Sample: at T = 10 C |
|
Note: white boart |
|
3.56670 3.56670 3.56670 90 90 90 Fd3m |
|
atom x y z |
|
C 0 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diamond |
|
Straumanis M E, Aka E Z |
| |
Journal of the American Chemical Society 73 (1951) 5643-5646 |
|
Precision determination of lattice parameter, coefficient of thermal expansion |
|
and atomic weight of carbon in diamond |
|
Locality: Belgian Congo |
|
Sample: at T = 20 C |
|
Note: white boart |
|
3.56674 3.56674 3.56674 90 90 90 Fd3m |
|
atom x y z |
|
C 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diamond |
|
Straumanis M E, Aka E Z |
| |
Journal of the American Chemical Society 73 (1951) 5643-5646 |
|
Precision determination of lattice parameter, coefficient of thermal expansion |
|
and atomic weight of carbon in diamond |
|
Locality: Belgian Congo |
|
Sample: at T = 30 C |
|
Note: white boart |
|
3.56675 3.56675 3.56675 90 90 90 Fd3m |
|
atom x y z |
|
C 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diamond |
|
Straumanis M E, Aka E Z |
| |
Journal of the American Chemical Society 73 (1951) 5643-5646 |
|
Precision determination of lattice parameter, coefficient of thermal expansion |
|
and atomic weight of carbon in diamond |
|
Locality: Belgian Congo |
|
Sample: at T = 40 C |
|
Note: white boart |
|
3.56683 3.56683 3.56683 90 90 90 Fd3m |
|
atom x y z |
|
C 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diamond |
|
Straumanis M E, Aka E Z |
| |
Journal of the American Chemical Society 73 (1951) 5643-5646 |
|
Precision determination of lattice parameter, coefficient of thermal expansion |
|
and atomic weight of carbon in diamond |
|
Locality: Belgian Congo |
|
Sample: at T = 50 C |
|
Note: white boart |
|
3.56689 3.56689 3.56689 90 90 90 Fd3m |
|
atom x y z |
|
C 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diamond |
|
Straumanis M E, Aka E Z |
| |
Journal of the American Chemical Society 73 (1951) 5643-5646 |
|
Precision determination of lattice parameter, coefficient of thermal expansion |
|
and atomic weight of carbon in diamond |
|
Locality: Belgian Congo |
|
Sample: at T = 10 C |
|
Note: grey boart |
|
3.56680 3.56680 3.56680 90 90 90 Fd3m |
|
atom x y z |
|
C 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diamond |
|
Straumanis M E, Aka E Z |
| |
Journal of the American Chemical Society 73 (1951) 5643-5646 |
|
Precision determination of lattice parameter, coefficient of thermal expansion |
|
and atomic weight of carbon in diamond |
|
Locality: Belgian Congo |
|
Sample: at T = 20 C |
|
Note: grey boart |
|
3.56680 3.56680 3.56680 90 90 90 Fd3m |
|
atom x y z |
|
C 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diamond |
|
Straumanis M E, Aka E Z |
| |
Journal of the American Chemical Society 73 (1951) 5643-5646 |
|
Precision determination of lattice parameter, coefficient of thermal expansion |
|
and atomic weight of carbon in diamond |
|
Locality: Belgian Congo |
|
Sample: at T = 30 C |
|
Note: grey boart |
|
3.56684 3.56684 3.56684 90 90 90 Fd3m |
|
atom x y z |
|
C 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diamond |
|
Straumanis M E, Aka E Z |
| |
Journal of the American Chemical Society 73 (1951) 5643-5646 |
|
Precision determination of lattice parameter, coefficient of thermal expansion |
|
and atomic weight of carbon in diamond |
|
Locality: Belgian Congo |
|
Sample: at T = 40 C |
|
Note: grey boart |
|
3.56689 3.56689 3.56689 90 90 90 Fd3m |
|
atom x y z |
|
C 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diamond |
|
Straumanis M E, Aka E Z |
| |
Journal of the American Chemical Society 73 (1951) 5643-5646 |
|
Precision determination of lattice parameter, coefficient of thermal expansion |
|
and atomic weight of carbon in diamond |
|
Locality: Belgian Congo |
|
Sample: at T = 50 C |
|
Note: grey boart |
|
3.56700 3.56700 3.56700 90 90 90 Fd3m |
|
atom x y z |
|
C 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diamond |
|
Straumanis M E, Aka E Z |
| |
Journal of the American Chemical Society 73 (1951) 5643-5646 |
|
Precision determination of lattice parameter, coefficient of thermal expansion |
|
and atomic weight of carbon in diamond |
|
Locality: Belgian Congo |
|
Sample: at T = 10 C |
|
Note: Diamond #2 |
|
3.56670 3.56670 3.56670 90 90 90 Fd3m |
|
atom x y z |
|
C 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diamond |
|
Straumanis M E, Aka E Z |
| |
Journal of the American Chemical Society 73 (1951) 5643-5646 |
|
Precision determination of lattice parameter, coefficient of thermal expansion |
|
and atomic weight of carbon in diamond |
|
Locality: Belgian Congo |
|
Sample: at T = 20 C |
|
Note: Diamond #2 |
|
3.56678 3.56678 3.56678 90 90 90 Fd3m |
|
atom x y z |
|
C 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diamond |
|
Straumanis M E, Aka E Z |
| |
Journal of the American Chemical Society 73 (1951) 5643-5646 |
|
Precision determination of lattice parameter, coefficient of thermal expansion |
|
and atomic weight of carbon in diamond |
|
Locality: Belgian Congo |
|
Sample: at T = 30 C |
|
Note: Diamond #2 |
|
3.56678 3.56678 3.56678 90 90 90 Fd3m |
|
atom x y z |
|
C 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diamond |
|
Straumanis M E, Aka E Z |
| |
Journal of the American Chemical Society 73 (1951) 5643-5646 |
|
Precision determination of lattice parameter, coefficient of thermal expansion |
|
and atomic weight of carbon in diamond |
|
Locality: Belgian Congo |
|
Sample: at T = 40 C |
|
Note: Diamond #2 |
|
3.56683 3.56683 3.56683 90 90 90 Fd3m |
|
atom x y z |
|
C 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diamond |
|
Straumanis M E, Aka E Z |
| |
Journal of the American Chemical Society 73 (1951) 5643-5646 |
|
Precision determination of lattice parameter, coefficient of thermal expansion |
|
and atomic weight of carbon in diamond |
|
Locality: Belgian Congo |
|
Sample: at T = 50 C |
|
Note: Diamond #2 |
|
3.56690 3.56690 3.56690 90 90 90 Fd3m |
|
atom x y z |
|
C 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Selenium |
|
Akahama Y, Kobayashi M, Kawamura H |
| |
Japanese Journal of Applied Physics 31 (1992) 1621-1624 |
|
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa |
|
Locality: synthetic |
|
Sample: at P = 66 GPa |
|
Note: structure known as beta-Po type, phase Se V |
|
3.965 3.965 3.091 90 90 120 R-3m |
|
atom x y z |
|
Se 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Selenium |
|
Akahama Y, Kobayashi M, Kawamura H |
| |
Japanese Journal of Applied Physics 31 (1992) 1621-1624 |
|
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa |
|
Locality: synthetic |
|
Sample: at P = 76.9 GPa |
|
Note: structure known as beta-Po type, phase Se V |
|
3.937 3.937 3.044 90 90 120 R-3m |
|
atom x y z |
|
Se 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Selenium |
|
Akahama Y, Kobayashi M, Kawamura H |
| |
Japanese Journal of Applied Physics 31 (1992) 1621-1624 |
|
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa |
|
Locality: synthetic |
|
Sample: at P = 86.2 GPa |
|
Note: structure known as beta-Po type, phase Se V |
|
3.908 3.908 2.985 90 90 120 R-3m |
|
atom x y z |
|
Se 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Selenium |
|
Akahama Y, Kobayashi M, Kawamura H |
| |
Japanese Journal of Applied Physics 31 (1992) 1621-1624 |
|
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa |
|
Locality: synthetic |
|
Sample: at P = 87.9 GPa |
|
Note: structure known as beta-Po type, phase Se V |
|
3.8920 3.8920 2.9572 90 90 120 R-3m |
|
atom x y z |
|
Se 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Selenium |
|
Akahama Y, Kobayashi M, Kawamura H |
| |
Japanese Journal of Applied Physics 31 (1992) 1621-1624 |
|
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa |
|
Locality: synthetic |
|
Sample: at P = 101.3 GPa |
|
Note: structure known as beta-Po type, phase Se V |
|
3.8704 3.8704 2.9123 90 90 120 R-3m |
|
atom x y z |
|
Se 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Selenium |
|
Akahama Y, Kobayashi M, Kawamura H |
| |
Japanese Journal of Applied Physics 31 (1992) 1621-1624 |
|
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa |
|
Locality: synthetic |
|
Sample: at P = 110 GPa |
|
Note: structure known as beta-Po type, phase Se V |
|
3.834 3.834 2.848 90 90 120 R-3m |
|
atom x y z |
|
Se 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Selenium |
|
Akahama Y, Kobayashi M, Kawamura H |
| |
Japanese Journal of Applied Physics 31 (1992) 1621-1624 |
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Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa |
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Locality: synthetic |
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Sample: at P = 120 GPa |
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Note: structure known as beta-Po type, phase Se V |
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3.829 3.829 2.791 90 90 120 R-3m |
|
atom x y z |
|
Se 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Selenium |
|
Akahama Y, Kobayashi M, Kawamura H |
| |
Japanese Journal of Applied Physics 31 (1992) 1621-1624 |
|
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa |
|
Locality: synthetic |
|
Sample: at P = 130 GPa |
|
Note: structure known as beta-Po type, phase Se V |
|
3.838 3.838 2.695 90 90 120 R-3m |
|
atom x y z |
|
Se 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Selenium |
|
Akahama Y, Kobayashi M, Kawamura H |
| |
Japanese Journal of Applied Physics 31 (1992) 1621-1624 |
|
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa |
|
Locality: synthetic |
|
Sample: at P = 140 GPa |
|
Note: structure known as beta-Po type, phase Se V |
|
3.850 3.850 2.645 90 90 120 R-3m |
|
atom x y z |
|
Se 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Selenium |
|
Akahama Y, Kobayashi M, Kawamura H |
| |
Japanese Journal of Applied Physics 31 (1992) 1621-1624 |
|
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa |
|
Locality: synthetic |
|
Sample: at P = 142.5 GPa |
|
Note: structure known as beta-Po type, phase Se V |
|
3.844 3.844 2.635 90 90 120 R-3m |
|
atom x y z |
|
Se 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Selenium |
|
Akahama Y, Kobayashi M, Kawamura H |
| |
Japanese Journal of Applied Physics 31 (1992) 1621-1624 |
|
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa |
|
Locality: synthetic |
|
Sample: at P = 140 GPa |
|
Note: structure known as bcc, phase Se VI |
|
2.8220 2.8220 2.8220 90 90 90 Im3m |
|
atom x y z |
|
Se 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Selenium |
|
Akahama Y, Kobayashi M, Kawamura H |
| |
Japanese Journal of Applied Physics 31 (1992) 1621-1624 |
|
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa |
|
Locality: synthetic |
|
Sample: at P = 142.5 GPa |
|
Note: structure known as bcc, phase Se VI |
|
2.8159 2.8159 2.8159 90 90 90 Im3m |
|
atom x y z |
|
Se 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Selenium |
|
Akahama Y, Kobayashi M, Kawamura H |
| |
Japanese Journal of Applied Physics 31 (1992) 1621-1624 |
|
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa |
|
Locality: synthetic |
|
Sample: at P = 146.5 GPa |
|
Note: structure known as bcc, phase Se VI |
|
2.8076 2.8076 2.8076 90 90 90 Im3m |
|
atom x y z |
|
Se 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data ( |
