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Pyroxene |
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Okui M, Sawada H, Marumo F |
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Physics and Chemistry of Minerals 25 (1998) 318-322 |
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Structure refinement of a nonstoichiometric pyroxene synthesized |
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under ambient pressure |
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_database_code_amcsd 0008145 |
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9.719 8.814 5.305 90 106.04 90 C2/c |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM1 0 .9071 1/4 .016 .32 .0038 .0042 .0034 .0000 -.0003 .0000 |
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AlM1 0 .9071 1/4 .888 .32 .0038 .0042 .0034 .0000 -.0003 .0000 |
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FeM1 0 .9071 1/4 .075 .32 .0038 .0042 .0034 .0000 -.0003 .0000 |
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CaM2 0 .3060 1/4 .742 .66 .0105 .0067 .0063 .0000 -.0005 .0000 |
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FeM2 0 .3060 1/4 .087 .66 .0105 .0067 .0063 .0000 -.0005 .0000 |
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SiT .2874 .0941 .2237 .75 .60 .0067 .0072 .0081 .0002 .0012 -.0006 |
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AlT .2874 .0941 .2237 .25 .60 .0067 .0072 .0081 .0002 .0012 -.0006 |
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O1 .1113 .0859 .1342 .96 .0105 .0125 .0128 .0010 .0023 -.0011 |
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O2 .3633 .2569 .3174 1.10 .0164 .0115 .0125 -.0005 .0019 .0003 |
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O3 .3522 .0190 .9899 .96 .0099 .0122 .0135 .0004 .0020 -.0027 |
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Tellurite |
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Ito T, Sawada H |
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Zeitschrift fur Kristallographie 102 (1940) 13-25 |
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The crystal structure of tellurite (Te O2) |
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_cod_database_code 1011183 |
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_database_code_amcsd 0018058 |
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5.5 11.75 5.59 90 90 90 Pcab |
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atom x y z |
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Te1 .0275 .1183 -.1156 |
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O1 .24 -.022 .235 |
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O2 .164 .174 .535 |
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Andorite VI |
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Sawada H, Kawada I, Hellner E, Tokonami M |
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Zeitschrift fur Kristallographie 180 (1987) 141-150 |
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The crystal structure of senandorite (andorite VI): PbAgSb3S6 |
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Locality: Freiberg, Saxony, Germany |
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_database_code_amcsd 0010974 |
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13.005 19.155 25.62199 90 90 90 Pn2_1a |
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atom x y z Biso |
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Pb1 .5723 .7500 .0343 1.0 |
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Pb2 .5714 .7358 .1971 1.2 |
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Pb3 .5760 .7473 .3691 .9 |
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Pb4 .5988 .7484 .5466 1.2 |
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Pb5 .5970 .7490 .7095 1.5 |
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Pb6 .5883 .7383 .8758 1.5 |
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Ag1 .6601 .3663 .0424 2.0 |
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Ag2 .6737 .3509 .2116 2.9 |
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Ag3 .6699 .1353 .3748 3.4 |
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Ag4 .6852 .3473 .5470 2.3 |
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Ag5 .6662 .3519 .7073 2.3 |
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Ag6 .6707 .1280 .8680 2.2 |
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Sb11 .3801 .4392 .0454 .5 |
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Sb12 .3678 .4407 .1987 .8 |
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Sb13 .3799 .4366 .3720 1.0 |
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Sb14 .3867 .4460 .5497 .3 |
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Sb15 .3783 .4414 .7070 .5 |
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Sb16 .3791 .4352 .8654 .8 |
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Sb21 .3662 .0491 .0320 .8 |
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Sb22 .3713 .0506 .2066 .5 |
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Sb23 .3725 .0355 .3769 1.1 |
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Sb24 .3804 .0434 .5375 .7 |
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Sb25 .3881 .0409 .7157 1.1 |
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Sb26 .3785 .0408 .8725 1.0 |
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Sb31 .6464 .1186 .0378 1.0 |
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Sb32 .6255 .1353 .2094 1.2 |
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Sb33 .6309 .3497 .3761 .7 |
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Sb34 .6226 .1431 .5418 1.1 |
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Sb35 .6531 .1199 .7107 .4 |
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Sb36 .6528 .3670 .8752 .9 |
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S11 .273 .330 .046 1.1 |
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S12 .290 .325 .209 .8 |
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S13 .273 .334 .378 .9 |
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S14 .281 .337 .558 .8 |
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S15 .262 .341 .703 1.2 |
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S16 .294 .327 .874 .9 |
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S21 .531 .589 .046 1.6 |
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S22 .494 .596 .186 .9 |
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S23 .507 .600 .391 1.4 |
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S24 .505 .595 .526 1.5 |
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S25 .508 .596 .722 1.7 |
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S26 .510 .591 .860 .9 |
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S31 .574 .234 .044 1.6 |
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S32 .551 .255 .214 1.2 |
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S33 .551 .234 .374 .4 |
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S34 .548 .263 .539 1.6 |
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S35 .571 .231 .716 .9 |
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S36 .581 .247 .880 .3 |
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S41 .772 .495 .021 .9 |
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S42 .716 .482 .220 1.4 |
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S43 .738 .498 .358 1.5 |
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S44 .719 .478 .551 .3 |
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S45 .746 .489 .690 .2 |
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S46 .793 .509 .882 1.1 |
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S51 .497 .900 .018 .3 |
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S52 .520 .893 .214 .2 |
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S53 .501 .896 .353 .4 |
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S54 .508 .902 .556 .3 |
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S55 .505 .887 .698 .6 |
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S56 .517 .905 .880 .8 |
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S61 .279 .163 .036 .5 |
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S62 .266 .156 .208 1.8 |
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S63 .271 .148 .388 .7 |
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S64 .263 .150 .537 .4 |
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S65 .285 .153 .721 1.0 |
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S66 .268 .152 .864 .4 |
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Gadolinium gallium garnet |
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Sawada H |
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Journal of Solid State Chemistry 132 (1997) 300-307 |
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Electron density of garnets Z3Ga5O12; Z=Nd, Sm, Gd, Tb |
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Locality: synthetic |
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_database_code_amcsd 0013936 |
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12.3829 12.3829 12.3829 90 90 90 Ia3d |
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atom x y z |
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GdX .125 0 .25 |
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GaY 0 0 0 |
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GaZ .375 0 .25 |
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O .0289 .0542 .6494 |
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Eskolaite |
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Sawada H |
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Materials Research Bulletin 29 (1994) 239-245 |
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Residual electron density study of chromium sesquioxide |
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by crystal structure and scattering factor refinement |
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Note: harmonic scattering factor refinement |
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Locality: synthetic |
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_database_code_amcsd 0017803 |
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4.9570 4.9570 13.5923 90 90 120 R-3c |
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atom x y z Biso |
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Cr 0 0 .34749 .217 |
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O .3057 0 .25 .31 |
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Eskolaite |
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Sawada H |
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Materials Research Bulletin 29 (1994) 239-245 |
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Residual electron density study of chromium sesquioxide |
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by crystal structure and scattering factor refinement |
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Note: atomic scattering factor refinement |
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Locality: synthetic |
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_database_code_amcsd 0017804 |
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4.9570 4.9570 13.5923 90 90 120 R-3c |
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atom x y z Biso |
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Cr 0 0 .34748 .213 |
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O .3058 0 .25 .33 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Eskolaite |
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Sawada H |
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Materials Research Bulletin 29 (1994) 239-245 |
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Residual electron density study of chromium sesquioxide |
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by crystal structure and scattering factor refinement |
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Note: anharmonic/atomic scattering factor refinement |
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Locality: synthetic |
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_database_code_amcsd 0017805 |
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4.9570 4.9570 13.5923 90 90 120 R-3c |
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atom x y z Biso |
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Cr 0 0 .34751 .200 |
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O .3057 0 .25 .35 |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure
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