|
Au0.73 Ce Ge1.27 |
| |
Jones C, Gordon R, DiSalvo F, Poettgen R, Kremer R |
| |
Journal of Alloys and Compounds 260 (1997) 50-55 |
|
Magnetic Behaviour of Two AlB2-Related Germanides: CePd0.63Ge1.37 and |
|
CeAu0.75Ge1.25 |
|
_cod_database_code 1005036 |
|
_database_code_amcsd 0012797 |
|
4.335 4.335 4.226 90 90 120 P6/mmm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ce1 0 0 0 .0080 .0080 .0076 .00398 0 0 |
|
Au1 1/3 2/3 .5 .365 .00681 .00681 .0239 .00341 0 0 |
|
Ge1 1/3 2/3 .5 .635 .00681 .00681 .0239 .00341 0 0 |
|
|
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|
| |
|
Hydrate - tetrahydrofuran |
| |
Jones C Y, Marshall S L, Chakoumakos B C, Rawn C J, Ishii Y |
| |
Journal of Physical Chemistry B107 (2003) 6026-6031 |
|
Structure and thermal expansivity of tetrahydrofuran deuterate determined by |
|
neutron powder diffraction |
|
Sample: T = 7 K, host lattice |
|
Note: y(D7) corrected |
|
_database_code_amcsd 0013155 |
|
17.103 17.103 17.103 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
O1 .125 .125 .125 .0172 |
|
O2 .2196 .2196 .2196 .0172 |
|
O3 .1822 .1822 .3719 .0172 |
|
D4 .1838 .1838 .1838 .5 .0148 |
|
D5 .1618 .1618 .1618 .5 .0148 |
|
D6 .2046 .2046 .2700 .5 .0148 |
|
D7 .1969 .1969 .3133 .5 .0148 |
|
D8 .1414 .1414 .3676 .5 .0148 |
|
D9 -.1647 -.0210 .1483 .5 .0148 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Hydrate - tetrahydrofuran |
| |
Jones C Y, Marshall S L, Chakoumakos B C, Rawn C J, Ishii Y |
| |
Journal of Physical Chemistry B107 (2003) 6026-6031 |
|
Structure and thermal expansivity of tetrahydrofuran deuterate determined by |
|
neutron powder diffraction |
|
Sample: T = 75 K, host lattice |
|
_database_code_amcsd 0013156 |
|
17.109 17.109 17.109 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
O1 .125 .125 .125 .0152 |
|
O2 .2187 .2187 .2187 .0152 |
|
O3 .1821 .1821 .3720 .0152 |
|
D4 .1859 .1859 .1859 .5 .0157 |
|
D5 .1608 .1608 .1608 .5 .0157 |
|
D6 .2051 .2051 .2689 .5 .0157 |
|
D7 .1946 .1946 .3126 .5 .0157 |
|
D8 .1421 .1421 .3687 .5 .0157 |
|
D9 -.1624 -.0230 .1471 .5 .0157 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Hydrate - tetrahydrofuran |
| |
Jones C Y, Marshall S L, Chakoumakos B C, Rawn C J, Ishii Y |
| |
Journal of Physical Chemistry B107 (2003) 6026-6031 |
|
Structure and thermal expansivity of tetrahydrofuran deuterate determined by |
|
neutron powder diffraction |
|
Sample: T = 140 K, host lattice |
|
_database_code_amcsd 0013157 |
|
17.150 17.150 17.150 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
O1 .125 .125 .125 .0232 |
|
O2 .2186 .2186 .2186 .0232 |
|
O3 .1798 .1798 .3713 .0232 |
|
D4 .1862 .1862 .1862 .5 .0179 |
|
D5 .1622 .1622 .1622 .5 .0179 |
|
D6 .2069 .2069 .2690 .5 .0179 |
|
D7 .1963 .1963 .3104 .5 .0179 |
|
D8 .1417 .1417 .3702 .5 .0179 |
|
D9 -.1685 -.0197 .1417 .5 .0179 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Hydrate - tetrahydrofuran |
| |
Jones C Y, Marshall S L, Chakoumakos B C, Rawn C J, Ishii Y |
| |
Journal of Physical Chemistry B107 (2003) 6026-6031 |
|
Structure and thermal expansivity of tetrahydrofuran deuterate determined by |
|
neutron powder diffraction |
|
Sample: T = 205 K, host lattice |
|
_database_code_amcsd 0013158 |
|
17.198 17.198 17.198 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
O1 .125 .125 .125 .0303 |
|
O2 .2207 .2207 .2207 .0303 |
|
O3 .1817 .1817 .3734 .0303 |
|
D4 .1862 .1862 .1862 .5 .0274 |
|
D5 .1589 .1589 .1589 .5 .0274 |
|
D6 .2041 .2041 .2718 .5 .0274 |
|
D7 .1971 .1971 .3168 .5 .0274 |
|
D8 .1424 .1424 .3669 .5 .0274 |
|
D9 -.1677 -.0223 .1454 .5 .0274 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Hydrate - tetrahydrofuran |
| |
Jones C Y, Marshall S L, Chakoumakos B C, Rawn C J, Ishii Y |
| |
Journal of Physical Chemistry B107 (2003) 6026-6031 |
|
Structure and thermal expansivity of tetrahydrofuran deuterate determined by |
|
neutron powder diffraction |
|
Sample: T = 265 K, host lattice |
|
_database_code_amcsd 0013159 |
|
17.262 17.262 17.262 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
O1 .125 .125 .125 .0404 |
|
O2 .2213 .2213 .2213 .0404 |
|
O3 .1795 .1795 .3732 .0404 |
|
D4 .1873 .1873 .1873 .5 .0348 |
|
D5 .1579 .1579 .1579 .5 .0348 |
|
D6 .2047 .2047 .2741 .5 .0348 |
|
D7 .1982 .1982 .3229 .5 .0348 |
|
D8 .1425 .1425 .3626 .5 .0348 |
|
D9 -.1710 -.0233 .1465 .5 .0348 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hydrate - tetrahydrofuran |
| |
Jones C Y, Marshall S L, Chakoumakos B C, Rawn C J, Ishii Y |
| |
Journal of Physical Chemistry B107 (2003) 6026-6031 |
|
Structure and thermal expansivity of tetrahydrofuran deuterate determined by |
|
neutron powder diffraction |
|
Sample: cell T = 7 K, positions T = 5 K, guest molecule |
|
Note: occupancies of C11 and H14 switched to reproduce reported formula |
|
_database_code_amcsd 0013160 |
|
17.103 17.103 17.103 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
C11 .4315 .375 .4036 1/12 |
|
C12 .3681 .375 .4379 1/12 |
|
H13 .4814 .4348 .4289 1/12 |
|
H14 .4814 .3210 .4289 1/6 |
|
H15 .3633 .3686 .4949 1/12 |
|
H16 .3681 .4393 .4379 1/12 |
|
O10 .4198 .375 .3302 1/12 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba La O6 Ru Zn |
| |
Battle P, Gibb T, Jones C, Studer F |
| |
Journal of Solid State Chemistry 78 (1989) 281-293 |
|
Spin-Glass Behavior in Sr2 Fe Ru O6 and Ba La Ni Ru O6: A |
|
Comparison with Antiferromagnetic Ba La Zn Ru O6 |
|
_cod_database_code 1001397 |
|
_database_code_amcsd 0013638 |
|
5.6479 5.6672 7.9859 90 90.10 90 I2/c |
|
atom x y z occ |
|
Ba1 0 .499 .25 .5 |
|
La1 0 .499 .25 .5 |
|
Zn1 0 0 0 .5 |
|
Ru1 0 0 0 .5 |
|
O1 0 .043 .25 |
|
O2 .26 .752 .0190 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba La O6 Ru Zn |
| |
Battle P, Gibb T, Jones C, Studer F |
| |
Journal of Solid State Chemistry 78 (1989) 281-293 |
|
Spin-Glass Behavior in Sr2 Fe Ru O6 and Ba La Ni Ru O6: A |
|
Comparison with Antiferromagnetic Ba La Zn Ru O6 |
|
_cod_database_code 1001398 |
|
_database_code_amcsd 0013639 |
|
5.6364 5.6621 7.9686 90 90.077 90 I2/c |
|
atom x y z occ |
|
Ba1 0 .501 .25 .5 |
|
La1 0 .501 .25 .5 |
|
Zn1 0 0 0 .5 |
|
Ru1 0 0 0 .5 |
|
O1 0 .0432 .25 |
|
O2 .261 .759 .0222 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fe O6 Ru Sr2 |
| |
Battle P, Gibb T, Jones C, Studer F |
| |
Journal of Solid State Chemistry 78 (1989) 281-293 |
|
Spin-Glass Behavior in Sr2 Fe Ru O6 and Ba La Ni Ru O6: A |
|
Comparison with Antiferromagnetic Ba La Zn Ru O6 |
|
_cod_database_code 1001399 |
|
_database_code_amcsd 0013640 |
|
5.5379 5.5429 7.8772 90 90.11 90 I2/c |
|
atom x y z occ |
|
Sr1 0 .5 .25 |
|
Fe1 0 0 0 .5 |
|
Ru1 0 0 0 .5 |
|
O1 0 .011 .25 |
|
O2 .228 .728 .0055 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fe O6 Ru Sr2 |
| |
Battle P, Gibb T, Jones C, Studer F |
| |
Journal of Solid State Chemistry 78 (1989) 281-293 |
|
Spin-Glass Behavior in Sr2 Fe Ru O6 and Ba La Ni Ru O6: A |
|
Comparison with Antiferromagnetic Ba La Zn Ru O6 |
|
_cod_database_code 1001400 |
|
_database_code_amcsd 0013641 |
|
5.5092 5.5138 7.8752 90 90.13 90 I2/c |
|
atom x y z occ |
|
Sr1 0 .501 .25 |
|
Fe1 0 0 0 .5 |
|
Ru1 0 0 0 .5 |
|
O1 0 .006 .25 |
|
O2 .219 .724 .0074 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba La Ni O6 Ru |
| |
Battle P, Gibb T, Jones C, Studer F |
| |
Journal of Solid State Chemistry 78 (1989) 281-293 |
|
Spin-Glass Behavior in Sr2 Fe Ru O6 and Ba La Ni Ru O6: A |
|
Comparison with Antiferromagnetic Ba La Zn Ru O6 |
|
_cod_database_code 1001401 |
|
_database_code_amcsd 0013642 |
|
5.6093 5.6154 7.9571 90 90.16 90 I2/c |
|
atom x y z occ |
|
Ba1 0 .498 .25 .5 |
|
La1 0 .498 .25 .5 |
|
Ni1 0 0 0 .5 |
|
Ru1 0 0 0 .5 |
|
O1 0 -.013 .25 |
|
O2 .222 .726 .0090 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba La Ni O6 Ru |
| |
Battle P, Gibb T, Jones C, Studer F |
| |
Journal of Solid State Chemistry 78 (1989) 281-293 |
|
Spin-Glass Behavior in Sr2 Fe Ru O6 and Ba La Ni Ru O6: A |
|
Comparison with Antiferromagnetic Ba La Zn Ru O6 |
|
_cod_database_code 1001402 |
|
_database_code_amcsd 0013643 |
|
5.5964 5.5879 7.9319 89.803 90.10 90.09 I-1 |
|
atom x y z occ |
|
Ba1 0 .501 .246 .5 |
|
La1 0 .501 .246 .5 |
|
Ni1 0 0 0 .5 |
|
Ru1 0 0 0 .5 |
|
Ni2 0 0 .5 .5 |
|
Ru2 0 0 .5 .5 |
|
O1 .016 -.015 .248 |
|
O2 .229 .726 .004 |
|
O3 -.213 .716 .492 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Er O6 Ru Sr2 |
| |
Battle P, Jones C, Studer F |
| |
Journal of Solid State Chemistry 90 (1991) 302-312 |
|
The crystal and magnetic structures of Ca2NdRuO6,Ca2HoRuO6 and |
|
Sr2ErRuO6 |
|
_cod_database_code 1001472 |
|
_database_code_amcsd 0013698 |
|
5.7626 5.7681 8.1489 90 90.19 90 P2_1/n |
|
atom x y z |
|
Sr1 .0065 .0256 .2482 |
|
Er1 .5 0 0 |
|
Ru1 .5 0 .5 |
|
O1 .2672 .2964 .0339 |
|
O2 .2021 .7697 .0332 |
|
O3 -.0670 .4876 .2365 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Er O6 Ru Sr2 |
| |
Battle P, Jones C, Studer F |
| |
Journal of Solid State Chemistry 90 (1991) 302-312 |
|
The crystal and magnetic structures of Ca2NdRuO6, Ca2HoRuO6 and |
|
Sr2ErRuO6 |
|
_cod_database_code 1001473 |
|
_database_code_amcsd 0013699 |
|
5.7500 5.7636 8.1354 90 90.22 90 P2_1/n |
|
atom x y z |
|
Sr1 .0079 .0305 .2498 |
|
Er1 .5 0 0 |
|
Ru1 .5 0 .5 |
|
O1 .2676 .2990 .0356 |
|
O2 .1984 .7707 .0354 |
|
O3 -.0696 .4865 .2354 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ca2 Nd O6 Ru |
| |
Battle P, Jones C, Studer F |
| |
Journal of Solid State Chemistry 90 (1991) 302-312 |
|
The crystal and magnetic structures of Ca2NdRuO6, Ca2HoRuO6 and |
|
Sr2ErRuO6 |
|
_cod_database_code 1001474 |
|
_database_code_amcsd 0013700 |
|
5.5564 5.8296 8.0085 90 90.07 90 P2_1/n |
|
atom x y z occ |
|
Ca1 .5145 .5590 .2545 .5 |
|
Nd1 .5145 .5590 .2545 .5 |
|
Ca2 0 .5 0 |
|
Ru1 .5 0 0 |
|
O1 .2131 .1762 -.0514 |
|
O2 .3280 .7198 -.0664 |
|
O3 .3882 -.0494 .2291 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ca2 Nd O6 Ru |
| |
Battle P, Jones C, Studer F |
| |
Journal of Solid State Chemistry 90 (1991) 302-312 |
|
The crystal and magnetic structures of Ca2NdRuO6, Ca2HoRuO6 and |
|
Sr2ErRuO6 |
|
_cod_database_code 1001475 |
|
_database_code_amcsd 0013701 |
|
5.5439 5.8282 7.9931 90 90.06 90 P2_1/n |
|
atom x y z occ |
|
Ca1 .5160 .5612 .2545 .5 |
|
Nd1 .5160 .5612 .2545 .5 |
|
Ca2 0 .5 0 |
|
Ru1 .5 0 0 |
|
O1 .2132 .1773 -.0523 |
|
O2 .3287 .7185 -.0671 |
|
O3 .3877 -.0501 .2291 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ca2 Ho O6 Ru |
| |
Battle P, Jones C, Studer F |
| |
Journal of Solid State Chemistry 90 (1991) 302-312 |
|
The crystal and magnetic structures of Ca2NdRuO6, Ca2HoRuO6 and |
|
Sr2ErRuO6 |
|
_cod_database_code 1001476 |
|
_database_code_amcsd 0013702 |
|
5.4991 5.7725 7.9381 90 90.18 90 P2_1/n |
|
atom x y z occ |
|
Ca1 .5167 .5620 .2555 .73 |
|
Ho1 .5167 .5620 .2555 .27 |
|
Ca2 0 .5 0 .54 |
|
Ho2 0 .5 0 .46 |
|
O1 .2123 .1788 -.0545 |
|
O2 .3277 .7182 -.0678 |
|
O3 .3835 -.0518 .2303 |
|
Ru1 .5 0 0 |
|
|
| 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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