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LiFeSi2O6 |
| |
Redhammer G J, Roth G, Paulus W, Andre G, Lottermoser W, |
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Amthauer G, Treutmann W, Koppelhuber-Bitschnau B |
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Physics and Chemistry of Minerals 28 (2001) 337-346 |
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The crystal and magnetic structure of Li-aegirine LiFeSi2O6: |
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a temperature-dependent study |
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Sample: T = 100 K |
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Pyroxene |
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_database_code_amcsd 0008554 |
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9.6223 8.6638 5.2655 90 109.95 90 P2_1/c |
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atom x y z Uiso |
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Li .2504 .0090 .2367 .0009 |
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Fe .25022 .64788 .23528 .0006 |
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SiA .04779 .33899 .2776 .0007 |
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SiB .54862 .83874 .2527 .0007 |
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O1A .8673 .3327 .1636 .0023 |
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O1B .3674 .8347 .1351 .0022 |
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O2A .1160 .5086 .3123 .0032 |
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O2B .6215 .0032 .3537 .0033 |
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O3A .1085 .2667 .5821 .0030 |
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O3B .6050 .7232 .5120 .0028 |
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LiFeSi2O6 |
| |
Redhammer G J, Roth G, Paulus W, Andre G, Lottermoser W, |
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Amthauer G, Treutmann W, Koppelhuber-Bitschnau B |
| |
Physics and Chemistry of Minerals 28 (2001) 337-346 |
|
The crystal and magnetic structure of Li-aegirine LiFeSi2O6: |
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a temperature-dependent study |
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Sample: T = 200 K |
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Pyroxene |
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_database_code_amcsd 0008555 |
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9.635 8.665 5.275 90 110.0 90 P2_1/c |
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atom x y z Uiso |
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Li .2505 .0097 .2395 .0072 |
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Fe .25020 .64794 .23841 .0013 |
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SiA .04739 .33888 .27481 .0013 |
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SiB .54760 .83922 .25575 .0011 |
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O1A .8668 .3331 .1602 .0025 |
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O1B .3668 .8350 .1384 .0027 |
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O2A .1158 .5087 .3145 .0047 |
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O2B .6199 .0052 .3473 .0044 |
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O3A .1080 .2637 .5775 .0042 |
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O3B .6049 .7298 .5219 .0045 |
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| Download AMC data (View Text File)
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|
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LiFeSi2O6 |
| |
Redhammer G J, Roth G, Paulus W, Andre G, Lottermoser W, |
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Amthauer G, Treutmann W, Koppelhuber-Bitschnau B |
| |
Physics and Chemistry of Minerals 28 (2001) 337-346 |
|
The crystal and magnetic structure of Li-aegirine LiFeSi2O6: |
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a temperature-dependent study |
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Sample: T = 298 K |
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Pyroxene |
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_database_code_amcsd 0008556 |
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9.684 8.661 5.292 90 110.12 90 C2/c |
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atom x y z Uiso |
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Li 0 .2624 .25 .0106 |
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Fe 0 .89832 .25 .0029 |
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Si .29616 .08948 .26580 .0012 |
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O1 .1159 .0848 .1496 .0057 |
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O2 .3665 .2585 .3255 .0092 |
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O3 .3557 -.0011 .0549 .0098 |
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| Download AMC data (View Text File)
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Ge6 Mn6 Tm |
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Schobinger -, Andre G, Rodriguez-Carvajal J, Brabers J, Buschow K |
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Journal of Alloys and Compounds 226 (1995) 113-120 |
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A neutron diffraction study of the magnetic ordering of Tm Mn6 Ge6 |
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_cod_database_code 1006092 |
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_database_code_amcsd 0012768 |
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5.2067 5.2067 8.1431 90 90 120 P6/mmm |
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atom x y z |
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Tm1 0 0 0 |
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Mn1 .5 0 .249 |
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Ge1 1/3 2/3 .5 |
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Ge2 1/3 2/3 0 |
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Ge3 0 0 .346 |
|
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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Ge6 Mn6 Tm |
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Schobinger -, Andre G, Rodriguez-Carvajal J, Brabers J, Buschow K |
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Journal of Alloys and Compounds 226 (1995) 113-120 |
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A neutron diffraction study of the magnetic ordering of Tm Mn6 Ge6 |
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_cod_database_code 1006093 |
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_database_code_amcsd 0012769 |
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5.2110 5.2110 8.1397 90 90 120 P6/mmm |
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atom x y z |
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Tm1 0 0 0 |
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Mn1 .5 0 .249 |
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Ge1 1/3 2/3 .5 |
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Ge2 1/3 2/3 0 |
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Ge3 0 0 .3487 |
|
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| Download AMC data (View Text File)
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|
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Ge6 Lu Mn6 |
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Schobinger-Papamantellos P, Andre G, Rodriguez-Carvajal J, Brabers J, Buschow K |
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Journal of Alloys and Compounds 226 (1995) 152-154 |
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A neutron diffraction study of the magnetic ordering of Lu Mn6 Ge6 |
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_cod_database_code 1006094 |
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_database_code_amcsd 0012770 |
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5.1993 5.1993 8.1165 90 90 120 P6/mmm |
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atom x y z |
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Lu1 0 0 0 |
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Mn1 .5 0 .2486 |
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Ge1 1/3 2/3 .5 |
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Ge2 1/3 2/3 0 |
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Ge3 0 0 .3404 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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Ge6 Lu Mn6 |
| |
Schobinger-Papamantellos P, Andre G, Rodriguez-Carvajal J, Brabers J, Buschow K |
| |
Journal of Alloys and Compounds 226 (1995) 152-154 |
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A neutron diffraction study of the magnetic ordering of Lu Mn6 Ge6 |
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_cod_database_code 1006095 |
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_database_code_amcsd 0012771 |
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5.2002 5.2002 8.1169 90 90 120 P6/mmm |
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atom x y z |
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Lu1 0 0 0 |
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Mn1 .5 0 .2489 |
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Ge1 1/3 2/3 .5 |
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Ge2 1/3 2/3 0 |
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Ge3 0 0 .3423 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ge6 Lu Mn6 |
| |
Schobinger-Papamantellos P, Andre G, Rodriguez-Carvajal J, Brabers J, Buschow K |
| |
Journal of Alloys and Compounds 226 (1995) 152-154 |
|
A neutron diffraction study of the magnetic ordering of Lu Mn6 Ge6 |
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_cod_database_code 1006096 |
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_database_code_amcsd 0012772 |
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5.2076 5.2076 8.1285 90 90 120 P6/mmm |
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atom x y z |
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Lu1 0 0 0 |
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Mn1 .5 0 .248 |
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Ge1 1/3 2/3 .5 |
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Ge2 1/3 2/3 0 |
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Ge3 0 0 .344 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cr Dy Ge6 Mn5 |
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Schobinger-Papamantellos P, Rodriguez-Carvajal J, Andre G, Buschow K |
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Journal of Alloys and Compounds 265 (1998) 56-60 |
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A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6 |
|
compounds |
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_cod_database_code 1006144 |
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_database_code_amcsd 0012801 |
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5.2187 5.2187 8.1865 90 90 120 P6/mmm |
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atom x y z occ |
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Dy1 0 0 0 |
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Ge1 1/3 2/3 .5 |
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Ge2 1/3 2/3 0 |
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Ge3 0 0 .3469 |
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Mn1 .5 0 .2520 .8333 |
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Cr1 .5 0 .2520 .1667 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cr1.5 Dy Ge6 Mn4.5 |
| |
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Andre G, Buschow K |
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Journal of Alloys and Compounds 265 (1998) 56-60 |
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A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6 |
|
compounds |
|
_cod_database_code 1006145 |
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_database_code_amcsd 0012802 |
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5.2155 5.2155 8.2018 90 90 120 P6/mmm |
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atom x y z occ |
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Dy1 0 0 0 |
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Ge1 1/3 2/3 .5 |
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Ge2 1/3 2/3 0 |
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Ge3 0 0 .3472 |
|
Mn1 .5 0 .255 .75 |
|
Cr1 .5 0 .255 .25 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cr2 Dy Ge6 Mn4 |
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Schobinger-Papamantellos P, Rodriguez-Carvajal J, Andre G, Buschow K |
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Journal of Alloys and Compounds 265 (1998) 56-60 |
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A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6 |
|
compounds |
|
_cod_database_code 1006146 |
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_database_code_amcsd 0012803 |
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5.2101 5.2101 8.2102 90 90 120 P6/mmm |
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atom x y z occ |
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Dy1 0 0 0 |
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Ge1 1/3 2/3 .5 |
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Ge2 1/3 2/3 0 |
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Ge3 0 0 .3479 |
|
Mn1 .5 0 .253 .667 |
|
Cr1 .5 0 .253 .333 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cr4 Dy Ge6 Mn2 |
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Schobinger-Papamantellos P, Rodriguez-Carvajal J, Andre G, Buschow K |
| |
Journal of Alloys and Compounds 265 (1998) 56-60 |
|
A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6 |
|
compounds |
|
_cod_database_code 1006147 |
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_database_code_amcsd 0012804 |
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5.185 5.185 8.252 90 90 120 P6/mmm |
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atom x y z occ |
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Dy1 0 0 0 |
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Ge1 1/3 2/3 .5 |
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Ge2 1/3 2/3 0 |
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Ge3 0 0 .348 |
|
Mn1 .5 0 .251 .333 |
|
Cr1 .5 0 .251 .667 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cr5 Dy Ge5.9 Mn |
| |
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Andre G, Buschow K |
| |
Journal of Alloys and Compounds 265 (1998) 56-60 |
|
A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6 |
|
compounds |
|
_cod_database_code 1006148 |
|
_database_code_amcsd 0012805 |
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5.169 5.169 8.263 90 90 120 P6/mmm |
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atom x y z occ |
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Dy1 0 0 0 |
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Ge1 1/3 2/3 .5 |
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Ge2 1/3 2/3 0 |
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Ge3 0 0 .329 .95 |
|
Mn1 .5 0 .253 .1667 |
|
Cr1 .5 0 .253 .8333 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Dy Ge6 Mn6 |
| |
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Andre G, Buschow K |
| |
Journal of Alloys and Compounds 265 (1998) 56-60 |
|
A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6 |
|
compounds |
|
_cod_database_code 1006149 |
|
_database_code_amcsd 0012806 |
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5.2256 5.2256 8.1646 90 90 120 P6/mmm |
|
atom x y z |
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Dy1 0 0 0 |
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Ge1 1/3 2/3 .5 |
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Ge2 1/3 2/3 0 |
|
Ge3 0 0 .3454 |
|
Mn1 .5 0 .2501 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Stolzite |
 |
Chipaux R, Andre G, Cousson A |
| |
Journal of Alloys and Compounds 325 (2001) 91-94 |
|
Crystal structure of lead tungstate at 1.4 and 300 K |
|
Sample: .Top. at T = 290 K |
|
Note: Scheelite structure |
|
Locality: synthetic |
|
_database_code_amcsd 0012824 |
|
5.46979 5.46979 12.06339 90 90 90 *I4_1/a |
|
0 .25 .125 |
|
atom x y z |
|
Pb 0 .250 .625 |
|
W 0 .250 .125 |
|
O .23170 .11220 .04300 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Stolzite |
|
Chipaux R, Andre G, Cousson A |
| |
Journal of Alloys and Compounds 325 (2001) 91-94 |
|
Crystal structure of lead tungstate at 1.4 and 300 K |
|
Sample: Bottom, T = 290 K |
|
Note: Scheelite structure |
|
Locality: synthetic |
|
_database_code_amcsd 0012825 |
|
5.46462 5.46462 12.04787 90 90 90 *I4_1/a |
|
0 .25 .125 |
|
atom x y z |
|
Pb 0 .250 .625 |
|
W 0 .250 .125 |
|
O .23168 .11200 .04324 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Stolzite |
|
Chipaux R, Andre G, Cousson A |
| |
Journal of Alloys and Compounds 325 (2001) 91-94 |
|
Crystal structure of lead tungstate at 1.4 and 300 K |
|
Sample: Yellow, T = 290 K |
|
Locality: synthetic |
|
Note: Scheelite structure |
|
_database_code_amcsd 0012826 |
|
5.43241 5.43241 12.04817 90 90 90 *I4_1/a |
|
0 .25 .125 |
|
atom x y z |
|
Pb 0 .250 .625 |
|
W 0 .250 .125 |
|
O .23416 .10844 .04083 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Stolzite |
|
Chipaux R, Andre G, Cousson A |
| |
Journal of Alloys and Compounds 325 (2001) 91-94 |
|
Crystal structure of lead tungstate at 1.4 and 300 K |
|
Sample: Top, T = 1.4 K |
|
Locality: synthetic |
|
Note: Scheelite structure |
|
_database_code_amcsd 0012827 |
|
5.45961 5.45961 12.00222 90 90 90 *I4_1/a |
|
0 .25 .125 |
|
atom x y z |
|
Pb 0 .250 .625 |
|
W 0 .250 .125 |
|
O .23109 .11017 .04326 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Stolzite |
|
Chipaux R, Andre G, Cousson A |
| |
Journal of Alloys and Compounds 325 (2001) 91-94 |
|
Crystal structure of lead tungstate at 1.4 and 300 K |
|
Sample: Bottom, T = 1.4 K |
|
Locality: synthetic |
|
Note: Scheelite structure |
|
_database_code_amcsd 0012828 |
|
5.45565 5.45565 11.9923 90 90 90 *I4_1/a |
|
0 .25 .125 |
|
atom x y z |
|
Pb 0 .250 .625 |
|
W 0 .250 .125 |
|
O .23102 .11004 .04248 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fe6 Ge6 Tb |
| |
Schobinger-Papamantellos P, Oleksyn O, Rodriguez-Carvajal J, Andre G, Brueck E, Buschow K |
| |
Journal of Magnetism and Magnetic Materials 182 (1998) 96-110 |
|
Atomic disorder, magnetic order and phase transitions of Tb Fe6 Ge6 |
|
studied by X-ray, neutron diffraction and magnetic measurement (I). |
|
_cod_database_code 1006165 |
|
_database_code_amcsd 0013066 |
|
8.1293 17.73192 5.11877 90 90 90 Cmcm |
|
atom x y z occ |
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Tb1 0 .122 .25 .89 |
|
Tb2 .5 .128 .25 .11 |
|
Ge1 0 .039 .75 |
|
Ge2 .5 .044 .75 |
|
Ge3 0 .208 .75 |
|
Ge4 .5 .2027 .75 |
|
Ge5 .3475 .1257 .25 .89 |
|
Ge6 .8475 .1243 .25 .11 |
|
Fe1 .25 .25 0 |
|
Fe2 .2509 0 0 |
|
Fe3 .2509 .1233 .75 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Antlerite |
|
Vilminot S, Richard-Plouet M, Andre G, Swierczynski D, Guillot M, Bouree-Vigneron F, Drillon M |
| |
Journal of Solid State Chemistry 170 (2003) 255-264 |
|
Magnetic structure and properties of Cu3(OH)4SO4 made of triple chains of spins s=1/2, |
|
_database_code_amcsd 0014031 |
|
8.289 6.079 12.057 90 90 90 Pnma |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu1 .00472 .25 .00129 .0093 .0131 .0100 .0101 0 -.0034 0 |
|
Cu2 .28997 .00288 .12592 .0095 .0109 .0111 .0115 -.0003 -.0022 .0012 |
|
S .13039 .25 .36422 .0078 .0091 .0119 .0074 0 -.0002 0 |
|
O1 .2616 .25 .2829 .0124 .0127 .0210 .0147 0 .0039 0 |
|
O2 .1984 .25 .4775 .0147 .0234 .0217 .0099 0 -.0061 0 |
|
O3 .0313 .0480 .3483 .0131 .0127 .0151 .0198 -.0028 .0022 -.0021 |
|
Oh1 .2807 .25 .0250 .0096 .0159 .0137 .0096 0 -.0006 0 |
|
Oh2 .7012 .25 .7782 .0110 .0165 .0132 .0091 0 .0019 0 |
|
Oh3 .0464 .5067 .1017 .0098 .0118 .0154 .0085 -.0010 .0009 .0003 |
|
H1 .362 .25 .978 .0713 |
|
H2 .274 .25 .768 .1700 |
|
H3 .512 .032 .664 .1712 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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