|
Boron |
| |
Decker B F, Kasper J S |
 |
Acta Crystallographica 12 (1959) 503-506 |
|
The crystal structure of a simple rhombohedral form of boron |
|
Locality: synthetic |
|
_database_code_amcsd 0009230 |
|
4.908 4.908 12.567 90 90 120 R-3m |
|
atom x y z |
|
B1 .1177 -.1177 -.1073 |
|
B2 .1961 -.1961 .0245 |
|
|
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| |
|
Boron |
| |
Geist D, Kloss R, Follner H |
|
Acta Crystallographica B26 (1970) 1800-1802 |
|
Verfeinerung des beta-rhomboedrischen bors |
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Locality: synthetic |
|
_database_code_amcsd 0009380 |
|
10.17 10.17 10.17 65.12 65.12 65.12 R-3m |
|
atom x y z Biso |
|
B1 .0025 .0025 .1680 .58 |
|
B2 .1008 .1008 .8374 .78 |
|
B3 .9933 .9933 .6698 .43 |
|
B4 .1032 .1032 .4921 .61 |
|
B5 .1777 .3473 .0033 .85 |
|
B6 .1673 .5521 .8921 .58 |
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B7 .1983 .1983 .6874 .55 |
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B8 .3765 .6826 .2024 .73 |
|
B9 .3622 .5811 .0976 .54 |
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B10 .1991 .1991 .5061 .96 |
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B11 .3873 .3873 .5690 2.54 |
|
B12 .4895 .4895 .2178 .60 |
|
B13 .3843 .3843 .2131 .55 |
|
B14 .3848 .3848 .3848 .61 |
|
B15 .5 .5 .5 .68 |
|
|
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| |
|
Boron |
| |
Callmer B |
|
Acta Crystallographica B33 (1977) 1951-1954 |
|
An accurate refinement of the beta-rhombohedral boron structure |
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Locality: synthetic |
|
_database_code_amcsd 0009595 |
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10.9251 10.9251 23.8143 90 90 120 R-3m |
|
atom x y z occ Biso |
|
B1 .17302 .17400 .17661 .488 |
|
B2 .31887 .29536 .12935 .406 |
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B3 .26165 .21766 .41974 .450 |
|
B4 .23496 .25151 .34689 .420 |
|
B5 .05436 .10872 .94389 .392 |
|
B6 .08640 .17280 .01309 .397 |
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B7 .10981 .21961 .88617 .390 |
|
B8 .17017 .34034 .02778 .445 |
|
B9 .12873 .25746 .76625 .397 |
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B10 .10211 .20421 .69851 .376 |
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B11 .05652 .11303 .32659 .395 |
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B12 .08962 .17924 .39902 .419 |
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B13 .05784 .11568 .55385 .734 .830 |
|
B14 0 0 .38535 .381 |
|
B15 0 0 .5 1.02 |
|
B16 .05574 .11147 .11727 .248 .330 |
|
|
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| |
|
Boron |
| |
Wyckoff R W G |
| |
Crystal Structures 1 (1963) 7-83 |
|
Second edition. Interscience Publishers, New York, New York |
|
_database_code_amcsd 0011238 |
|
8.74 8.74 5.03 90 90 90 P4_2/nnm |
|
atom x y z |
|
B1 .325 .088 .400 |
|
B2 .227 .081 .088 |
|
B3 .121 .121 .383 |
|
B4 .245 .245 .584 |
|
B5 0 0 .5 |
|
|
| Download AMC data (View Text File)
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| |
|
Boron |
| |
Wyckoff R W G |
| |
Crystal Structures 1 (1963) 7-83 |
|
Second edition. Interscience Publishers, New York, New York |
|
_database_code_amcsd 0011239 |
|
4.908 4.908 12.567 90 90 120 R-3m |
|
atom x y z |
|
B1 .1177 -.1177 -.1073 |
|
B2 .1961 -.1961 .0245 |
|
|
| Download AMC data (View Text File)
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| |
|
Boron |
| |
Parakhonskiy G, Dubrovinskaia N, Bykova E, Wirth R, Dubrovinsky L |
| |
High Pressure Research 33 (2013) 673-683 |
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High pressure synthesis and investigation of single crystals |
|
of metastable boron phases |
|
Note: alpha-tetragonal phase |
|
Locality: Synthetic |
|
_database_code_amcsd 0020599 |
|
8.708 8.708 5.0750 90 90 90 P4_2/nnm |
|
atom x y z |
|
B1 0 0 .5 |
|
B2 .1239 .1239 .3685 |
|
B3 .2458 .2458 .5897 |
|
B4 .3161 .1042 .3907 |
|
B5 .2288 .0827 .0819 |
|
|
| Download AMC data (View Text File)
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| |
|
Boron |
| |
Parakhonskiy G, Dubrovinskaia N, Bykova E, Wirth R, Dubrovinsky L |
| |
High Pressure Research 33 (2013) 673-683 |
|
High pressure synthesis and investigation of single crystals |
|
of metastable boron phases |
|
Note: epsilon-trigonal phase |
|
Locality: Synthetic |
|
_database_code_amcsd 0020600 |
|
5.5940 5.5940 12.0756 90 90 120 R-3m |
|
atom x y z Uiso |
|
B1 0 0 .5 .011 |
|
B2 .1626 .8374 .6413 .007 |
|
B3 .2255 .7745 .7805 .008 |
|
B4 0 0 .6192 .003 |
|
|
| Download AMC data (View Text File)
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| |
|
Boron |
| |
Hoard J L, Sullenger D B, Kennard C H L, Hughes R E |
| |
Journal of Solid State Chemistry 1 (1970) 268-277 |
|
The structure analysis of beta-rhombohedral boron |
|
Locality: synthetic |
|
_database_code_amcsd 0013290 |
|
10.944 10.944 23.81 90 90 120 R-3m |
|
atom x y z occ Biso |
|
B1 .1730 .1742 .1768 .485 |
|
B2 .3189 .2966 .1291 .538 |
|
B3 .2607 .2172 .4199 .479 |
|
B4 .2351 .2506 .3473 .624 |
|
B5 .0549 .1097 -.0560 .551 |
|
B6 .0867 .1735 .0130 .613 |
|
B7 .1091 .2182 -.1140 .470 |
|
B8 .1703 .3406 .0281 .623 |
|
B9 .1285 .2570 -.2338 .569 |
|
B10 .1022 .2044 -.3020 .348 |
|
B11 .0562 .1125 .3267 .414 |
|
B12 .0894 .1788 .3990 .353 |
|
B13 .0574 .1148 -.4460 2/3 .780 |
|
B14 0 0 .3852 .272 |
|
B15 0 0 .5 1.315 |
|
B16 .0546 .1093 .1166 1/3 1.944 |
|
|
| Download AMC data (View Text File)
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| |
|
Boron |
| |
Vlasse M, Naslain R, Kasper J S, Ploog K |
| |
Journal of Solid State Chemistry 28 (1979) 289-301 |
|
Crystal structure of tetragonal boron related to alpha AlB12 |
|
Locality: synthetic |
|
_database_code_amcsd 0013366 |
|
10.14 10.14 14.17 90 90 90 P4_3 |
|
atom x y z occ Uiso |
|
Bl -.123 .742 .128 .0054 |
|
B1p .238 .377 .871 .0012 |
|
B2 -.040 .628 .208 .0079 |
|
B2p .131 .461 .790 .0029 |
|
B3 -.044 .809 .225 .0004 |
|
B3p .313 .459 .770 .0014 |
|
B4 -.044 .893 .116 .0004 |
|
B4p .394 .460 .883 .0034 |
|
B5 -.033 .606 .078 .0027 |
|
B5P .106 .470 .920 .0053 |
|
B6 -.037 .776 .028 .0119 |
|
B6P .271 .468 .969 .0155 |
|
B7 .109 .721 .244 .0058 |
|
B7p .220 .607 .754 .0125 |
|
B8 .105 .886 .191 .0204 |
|
B8p .388 .608 .806 .0060 |
|
B9 .118 .600 .155 .0065 |
|
B9p .098 .622 .845 .0179 |
|
B10 .113 .687 .047 .0154 |
|
BlOp .194 .616 .932 .0034 |
|
B11 .112 .864 .065 .0071 |
|
Bllp .365 .613 .934 .0139 |
|
B12 .204 .758 .144 .0025 |
|
B12p .260 .702 .860 .0191 |
|
B13 .317 .554 .362 .0029 |
|
Bl3p .056 .814 .632 .0115 |
|
B14 .389 .698 .325 .0276 |
|
Bl4p .197 .886 .675 .0352 |
|
B15 .203 .696 .340 .0062 |
|
B15p .193 .706 .655 .0030 |
|
B16 .468 .614 .413 .0042 |
|
B16P .113 .964 .589 .0039 |
|
B17 .467 .792 .420 .0107 |
|
B17p .292 .955 .574 .0123 |
|
B18 .187 .589 .449 .0121 |
|
B18p .091 .688 .552 .0029 |
|
B19 .265 .675 .547 .0039 |
|
B19p .171 .767 .455 .0070 |
|
B20 .346 .536 .496 .0058 |
|
B20p .040 .849 .503 .0052 |
|
B21 .439 .685 .524 .0072 |
|
B2lp .182 .940 .476 .0011 |
|
B22 .334 .835 .497 .0062 |
|
B23 .039 .534 .497 .0085 |
|
B24 .290 .839 .384 .0287 |
|
B24p .332 .801 .629 .0250 |
|
B25 .145 .433 .466 .50 .0202 |
|
B25p .061 .360 .035 .50 .0060 |
|
B26 .225 .244 .732 .47 .0583 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Boron |
| |
Slack G A, Hejna C I, Garbauskas M F, Kasper J S |
| |
Journal of Solid State Chemistry 76 (1988) 52-63 |
|
The crystal structure and density of beta-rhombohedral boron |
|
Note: beta-phase |
|
Locality: Synthetic |
|
_database_code_amcsd 0020598 |
|
10.932 10.932 23.819 90 90 120 R-3m |
|
atom x y z occ Uiso |
|
B1 .1730 .1741 .1767 .006 |
|
B2 .3191 .2957 .1294 .006 |
|
B3 .2614 .2175 .4197 .006 |
|
B4 .2349 .2516 .3469 .006 |
|
B5 .0545 .1090 .9437 .005 |
|
B6 .0865 .1730 .0132 .005 |
|
B7 .1098 .2196 .8860 .005 |
|
B8 .1705 .3410 .0280 .005 |
|
B9 .1287 .2574 .7666 .005 |
|
B10 .1020 .2040 .6985 .005 |
|
B11 .0564 .1128 .3266 .005 |
|
B12 .0897 .1794 .3990 .005 |
|
B13 .0579 .1158 .5538 .745 .011 |
|
B14 0 0 .3855 .005 |
|
B15 0 0 .5 .014 |
|
B16 .0546 .1092 .1176 .272 .009 |
|
B17 .0833 .1666 .4760 .085 .043 |
|
B18 .1440 .2880 .5239 .066 .006 |
|
B19 .1805 .3610 .5347 .068 .006 |
|
B20 .2067 .2280 .0711 .037 .011 |
|
|
| Download AMC data (View Text File)
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| |
|
Boron |
| |
Hoard J L, Geller S, Hughes R E |
| |
Journal of the American Chemical Society 73 (1951) 1892-1893 |
|
On the structure of elementary boron |
|
Locality: synthetic |
|
_database_code_amcsd 0014080 |
|
8.73 8.73 5.03 90 90 90 P-4n2 |
|
atom x y z |
|
B1 0 0 .5 |
|
B2 .5 .5 0 |
|
B3 .328 .095 .395 |
|
B4 .095 .328 .395 |
|
B5 .223 .078 .105 |
|
B6 .078 .223 .105 |
|
B7 .127 .127 .395 |
|
B8 .25 .25 -.078 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Boron |
| |
Hoard J L, Hughes R E, Sands D E |
| |
Journal of the American Chemical Society 80 (1958) 4507-4515 |
|
The structure of tetragonal boron |
|
Locality: synthetic |
|
Sample: needle III |
|
_database_code_amcsd 0014101 |
|
8.740 8.740 5.068 90 90 90 P4_2/nnm |
|
atom x y z Biso |
|
B1 .3253 .0883 .3985 .76 |
|
B2 .2272 .0805 .0865 .73 |
|
B3 .1195 .1195 .3780 .79 |
|
B4 .2425 .2425 .5815 .67 |
|
B5 0 0 .5 .52 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Boron |
| |
Hoard J L, Hughes R E, Sands D E |
| |
Journal of the American Chemical Society 80 (1958) 4507-4515 |
|
The structure of tetragonal boron |
|
Locality: synthetic |
|
Sample: plate |
|
_database_code_amcsd 0014102 |
|
8.771 8.771 5.088 90 90 90 P4_2/nnm |
|
atom x y z Biso |
|
B1 .3255 .0875 .4005 1.29 |
|
B2 .2265 .0825 .0895 1.56 |
|
B3 .1245 .1245 .3870 1.62 |
|
B4 .2490 .2490 .5865 .66 |
|
B5 0 0 .5 .68 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Boron |
| |
Oganov A R, Chen J, Gatti C, Ma Y, Ma Y, Glass C W, Liu Z, Yu T, Kurakevych O O, Solozhenko V L |
| |
Nature 457 (2009) 863-867 |
|
Ionic high-pressure form of elemental boron |
|
Note: theoretical calculation |
|
_database_code_amcsd 0014681 |
|
5.054 5.620 6.987 90 90 90 Pnnm |
|
atom x y z |
|
B1 .1702 .5206 0 |
|
B2 .1606 .2810 .3743 |
|
B3 .3472 .0924 .2093 |
|
B4 .3520 .2711 0 |
|
B5 .1644 .0080 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Boron |
| |
Zarechnaya E Y, Dubrovinsky L, Dubrovinskaia N, Filinchuk Y, Chernyshov D, Dmitriev V, |
|
Miyajima N, El Goresy A, Braun H F, Van Smaalen S, Kantor I, Kantor A, Prakapenka V, |
|
Hanfland M, Mikhaylushkin A S, Abrikosov I A, Simak S I |
| |
Physical Review Letters 102 (2009) 185501-1185501-4 |
|
Superhard semiconducting optically transparent high pressure phase of boron |
|
Note: crystal quenched from 20 GPa, 1700 K |
|
Locality: synthetic |
|
_database_code_amcsd 0015285 |
|
5.0576 5.6245 6.9884 90 90 90 Pnnm |
|
atom x y z |
|
B1 .1539 .5938 .7924 |
|
B2 .6469 .7284 .5 |
|
B3 .3362 .5076 0 |
|
B4 .8391 .7189 .8737 |
|
B5 .6690 .9823 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Boron |
| |
Will G, Kiefer B |
| |
Zeitschrift fur Anorganische und Allgemeine Chemie 627 (2001) 2100-2104 |
|
Electron deformation density in alpha-boron |
|
Note: alpha-phase |
|
Locality: Synthetic |
|
_database_code_amcsd 0020597 |
|
4.9179 4.9179 12.5805 90 90 120 R-3m |
|
atom x y z |
|
B1 .11886 .88114 .89133 |
|
B2 .19686 .80314 .02432 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
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