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Os3.32 Si0.68 U2 |
| |
Verniere A, Lejay P, Bordet P, Chenavas J, Brison J, Haen P, Boucherle J |
| |
Journal of Alloys and Compounds 209 (1994) 251-255 |
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Crystal structures and physical properties of some new ternary |
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compounds U2 T3X (T= Ru, Os; X= Si, Ge) |
|
_cod_database_code 1008673 |
|
_database_code_amcsd 0016559 |
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7.436 7.436 7.436 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ |
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U1 .125 .125 .125 |
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Os1 .5 .5 .5 .83 |
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Si1 .5 .5 .5 .17 |
|
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|
| |
|
Ru2.83 Si1.17 U2 |
| |
Verniere A, Lejay P, Bordet P, Chenavas J, Brison J, Haen P, Boucherle J |
| |
Journal of Alloys and Compounds 209 (1994) 251-255 |
|
Crystal structures and physical properties of some new ternary |
|
compounds U2 T3X (T= Ru, Os; X= Si, Ge) |
|
_cod_database_code 1008858 |
|
_database_code_amcsd 0016724 |
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5.501 5.501 11.367 90 90 120 R-3m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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U1 0 0 .12290 .0150 .0150 .0101 .0075 0 0 |
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Ru1 .5 0 0 .943 .0112 .0054 .0091 .0027 .0004 .0008 |
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Si1 .5 0 0 .057 .0112 .0054 .0091 .0027 .0004 .0008 |
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Si2 0 0 .5 .022 .022 .018 .011 0 0 |
|
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|
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|
Er4 Ir13 Si9 |
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Verniere A, Lejay P, Bordet P, Chenavas J, Tholence J, Boucherle J, Keller N |
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Journal of Alloys and Compounds 218 (1995) 197-203 |
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Crystal structure and physical properties of new ternary silicides R4T13X9 |
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(R, rare earth or uranium; T, rhodium or iridium; X, silicon or germanium) |
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_cod_database_code 1008678 |
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_database_code_amcsd 0016564 |
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18.84799 10.918 3.9153 90 90 90 *Pnmm |
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0 .25 .25 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Er1 .79224 .0592 .25 .0071 .0104 .0052 .0015 0 0 |
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Er2 .4804 .75 .25 .0073 .0076 .0051 0 0 0 |
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Er3 .9784 .25 .25 .0061 .0085 .0052 0 0 0 |
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Ir1 .66439 .0664 .75 .0041 .0060 .0029 .0000 0 0 |
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Ir2 .85797 .25 .75 .0023 .0079 .0195 0 0 0 |
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Ir3 .65711 .25 .25 .0052 .0058 .0044 0 0 0 |
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Ir4 .22752 .25 .75 .0024 .0067 .0032 0 0 0 |
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Ir5 .46076 .0607 .25 .0018 .0071 .0042 .0002 0 0 |
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Ir6 .04654 .0496 .75 .0041 .0076 .0028 -.0013 0 0 |
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Ir7 .85708 .8743 .75 .0031 .0061 .0028 -.0010 0 0 |
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Ir8 .64473 .8777 .25 .0043 .0055 .0044 .0000 0 0 |
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Si1 .6016 .75 .75 |
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Si2 .5844 .4304 .25 |
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Si3 .9183 .0611 .75 |
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Si4 .8975 .75 .25 |
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Si5 .2708 .3778 .25 |
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Si6 .2666 .75 .25 |
|
|
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|
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|
Ce Ir3 Si2 |
| |
Verniere A, Lejay P, Bordet P, Chenavas J, Tholence J, Boucherle J, Keller N |
| |
Journal of Alloys and Compounds 218 (1995) 197-203 |
|
Crystal structure and physical properties of new ternary silicides R4T13X9 |
|
(R, rare earth or uranium; T, rhodium or iridium; X, silicon or germanium) |
|
_cod_database_code 1008679 |
|
_database_code_amcsd 0016565 |
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7.1838 9.7373 5.6018 90 90 90 Imma |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ce1 0 .25 .7201 .0071 .0104 .0052 .0015 0 0 |
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Ir1 .2817 0 0 .0073 .0076 .0051 0 0 0 |
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Ir2 .25 .25 .25 .0061 .0085 .0052 0 0 0 |
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Si1 0 .0749 .1956 .0041 .0060 .0029 .0000 0 0 |
|
|
| Download AMC data (View Text File)
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|
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|
U4O9 |
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Lauriat J P, Chevrier G, Boucherle J X |
| |
Journal of Solid State Chemistry 80 (1989) 80-93 |
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Space group of U4O9 in the beta phase |
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Sample: F-43m refinement |
|
_database_code_amcsd 0013652 |
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5.44 5.44 5.44 90 90 90 F-43m |
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atom x y z occ Biso |
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U .75 .75 .75 .84 |
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Oa 0 0 0 .64 1.78 |
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Ob .5 .5 .5 .95 1.78 |
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O' .373 .373 .25 .054 1.78 |
|
O" .312 .312 .312 .022 1.78 |
|
|
| Download AMC data (View Text File)
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|
| |
|
U4O9 |
| |
Lauriat J P, Chevrier G, Boucherle J X |
| |
Journal of Solid State Chemistry 80 (1989) 80-93 |
|
Space group of U4O9 in the beta phase |
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Sample: P-43m refinement |
|
_database_code_amcsd 0013653 |
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5.44 5.44 5.44 90 90 90 P-43m |
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atom x y z occ Biso |
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U .7508 .7508 .7508 .84 |
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Oa1 0 0 0 .91 1.78 |
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Oa2 .5 .5 0 .52 1.78 |
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Ob1 .5 .5 .5 .98 1.78 |
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Ob2 .5 0 0 .99 1.78 |
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O'1 .371 .371 .251 .082 1.78 |
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O'2 .879 .879 .255 .034 1.78 |
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O'3 .374 .867 .767 .055 1.78 |
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O"1 .377 .377 .377 .025 1.78 |
|
O"2 .795 .795 .334 .01 1.78 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba Co1.8 Fe16.2 O27 |
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Collomb A, Lambert Andron B, Boucherle J, Samaras D |
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Physica Status Solidi, Sectio A: Applied Research 96 (1986) 385-395 |
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Crystal structure and Cobalt location in the W-type hexagonal ferrite |
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(Ba) Co2-W. |
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_cod_database_code 1008345 |
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_database_code_amcsd 0016256 |
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5.9043 5.9043 32.910 90 90 120 P6_3/mmc |
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atom x y z occ |
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Ba1 0 0 .25 |
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Fe1 1/3 2/3 -.24469 .5 |
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Fe2 1/3 2/3 -.42607 .88 |
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Co1 1/3 2/3 -.42607 .12 |
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Fe3 .5 0 0 .88 |
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Co2 .5 0 0 .12 |
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Fe4 0 0 .05587 .88 |
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Co3 0 0 .05587 .12 |
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Fe5 1/3 2/3 .09293 .88 |
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Co4 1/3 2/3 .09293 .12 |
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Fe6 1/3 2/3 .20794 |
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Fe7 -.16464 -.32927 .15017 .88 |
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Co5 -.16464 -.32927 .15017 .12 |
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O1 0 0 .11267 |
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O2 1/3 2/3 .03487 |
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O3 1/3 2/3 .32024 |
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O4 .4857 .9714 .25 |
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O5 -.5116 -.0232 .1103 |
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O6 -.1750 -.3500 .03617 |
|
O7 .1642 .3283 .17904 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba Co1.883 Fe16.12 O27 |
| |
Collomb A, Lambert Andron B, Boucherle J, Samaras D |
| |
Physica Status Solidi, Sectio A: Applied Research 96 (1986) 385-395 |
|
Crystal structure and Cobalt location in the W-type hexagonal ferrite |
|
(Ba) Co2-W. |
|
_cod_database_code 1008346 |
|
_database_code_amcsd 0016257 |
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5.9043 5.9043 32.910 90 90 120 P6_3/mmc |
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atom x y z occ |
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Ba1 0 0 .25 |
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Fe1 1/3 2/3 -.2423 .5 |
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Fe2 1/3 2/3 -.4263 .88 |
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Co1 1/3 2/3 -.4263 .12 |
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Fe3 .5 0 0 .537 |
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Co2 .5 0 0 .463 |
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Fe4 0 0 .0555 .916 |
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Co3 0 0 .0555 .084 |
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Fe5 1/3 2/3 .0930 .957 |
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Co4 1/3 2/3 .0930 .043 |
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Fe6 1/3 2/3 .2077 |
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Fe7 -.1644 -.3288 .15015 |
|
O1 0 0 .1134 |
|
O2 1/3 2/3 .0345 |
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O3 1/3 2/3 -.3208 |
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O4 .4871 .974 .25 |
|
O5 .5112 .0224 .10982 |
|
O6 -.1754 -.3508 .03581 |
|
O7 .1646 .3292 .17901 |
|
|
| Download AMC data (View Text File)
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|
| |
|
H2 I3 K O9 |
| |
Bordet P, Boucherle J, Santoro A, Marezio M |
| |
Solid State Ionics 21 (1986) 243-254 |
|
Crystal structure and proton conductivity of N H4 H2 (I O3)3 |
|
and K H2 (I O3)3 |
|
_cod_database_code 1008359 |
|
_database_code_amcsd 0016270 |
|
8.266 8.200 8.180 66.08 60.16 71.06 P-1 |
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atom x y z |
|
I1 .81368 .18645 .75488 |
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I2 .23951 .73478 .77795 |
|
I3 .30383 .20049 .78194 |
|
O1 .7755 .4272 .6010 |
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O2 .8348 .0820 .5807 |
|
O3 .1213 .5541 .8212 |
|
O4 .4719 .6591 .6118 |
|
O5 .4647 .2309 .8519 |
|
O6 .0604 .1835 .6602 |
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O7 .4040 -.0211 .7514 |
|
O8 .2635 .6402 .0069 |
|
O9 .1175 .1358 .0325 |
|
K1 .7233 .7202 .7623 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
H2 I3 K O9 |
| |
Bordet P, Boucherle J, Santoro A, Marezio M |
| |
Solid State Ionics 21 (1986) 243-254 |
|
Crystal structure and proton conductivity of N H4 H2 (I O3)3 |
|
and K H2 (I O3)3 |
|
_cod_database_code 1008360 |
|
_database_code_amcsd 0016271 |
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8.266 8.200 8.180 66.08 60.16 71.06 P-1 |
|
atom x y z occ |
|
I1 .8141 .1865 .7547 |
|
I2 .2392 .7348 .7778 |
|
I3 .3036 .2006 .7819 |
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O1 .7757 .4264 .6021 |
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O2 .8351 .0821 .5803 |
|
O3 .1216 .5542 .8209 |
|
O4 .4721 .6589 .6122 |
|
O5 .4648 .2311 .8520 |
|
O6 .0601 .1841 .6600 |
|
O7 .4040 -.0211 .7513 |
|
O8 .2631 .6405 .0070 |
|
O9 .1180 .1359 .0323 |
|
K1 .7240 .7200 .7619 |
|
H1 .3608 .5260 .3668 |
|
H2 -.021 .477 .038 .5 |
|
H3 .035 -.019 .475 .5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
H6 I3 N O9 |
| |
Bordet P, Boucherle J, Santoro A, Marezio M |
| |
Solid State Ionics 21 (1986) 243-254 |
|
Crystal structure and proton conductivity of N H4 H2 (I O3)3 and K H2 (I O3)3 |
|
_cod_database_code 1008704 |
|
_database_code_amcsd 0016590 |
|
8.396 8.363 8.207 65.57 60.13 70.33 P-1 |
|
atom x y z |
|
I1 .80997 .18942 .75206 |
|
I2 .24046 .73219 .77990 |
|
I3 .30239 .20097 .78134 |
|
O1 .7715 .4280 .6008 |
|
O2 .8409 .0926 .5696 |
|
O3 .1313 .5489 .8266 |
|
O4 .4703 .6598 .6133 |
|
O5 .4708 .2262 .8410 |
|
O6 .0523 .1853 .6683 |
|
O7 .3950 -.0189 .7517 |
|
O8 .2672 .6442 .0069 |
|
O9 .1242 .1406 .0341 |
|
N1 .7296 .7263 .7604 |
|
H1 .795 .783 .809 |
|
H2 .769 .731 .648 |
|
H3 .62 .81 .80 |
|
H4 .699 .618 .842 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
H6 I3 N O9 |
| |
Bordet P, Boucherle J, Santoro A, Marezio M |
| |
Solid State Ionics 21 (1986) 243-254 |
|
Crystal structure and proton conductivity of N H4 H2 (I O3)3 and K H2(I O3)3 |
|
_cod_database_code 1008705 |
|
_database_code_amcsd 0016591 |
|
8.396 8.363 8.207 65.57 60.13 70.33 P-1 |
|
atom x y z occ |
|
I1 .8106 .1896 .7522 |
|
I2 .2410 .7316 .7802 |
|
I3 .3023 .2008 .7818 |
|
O1 .7702 .4289 .6008 |
|
O2 .8395 .0932 .5704 |
|
O3 .1300 .5499 .8266 |
|
O4 .4704 .6600 .6137 |
|
O5 .4699 .2257 .8413 |
|
O6 .0515 .1850 .6687 |
|
O7 .3954 -.0187 .7511 |
|
O8 .2662 .6448 .0067 |
|
O9 .1236 .1402 .0346 |
|
N1 .7291 .7283 .7607 |
|
H1 .787 .7668 .813 |
|
H2 .8143 .7323 .619 |
|
H3 .616 .812 .7667 |
|
H4 .2888 .3988 .1605 |
|
H5 .3605 .5224 .3678 |
|
H6 -.026 .475 .042 .5 |
|
H7 .039 -.022 .481 .5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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