|
Cu La1.85 O4 Sr0.15 |
| |
Decroux M, Junod A, Bezinge A, Cattani D, Cors J, Jorda L, Stettler A, |
|
Francois M, Yvon K, Fischer O, Muller J |
| |
Europhysics Letters 3 (1987) 1035-1040 |
|
Structure, Resistivity, Critical Field, Specific-Heat Jump at Tc, |
|
Meissner Effect, a.c. and d.c. Susceptibility of the High-Temperature |
|
Superconductor La2-x Srx Cu O4. |
|
_cod_database_code 1008481 |
|
_database_code_amcsd 0016380 |
|
3.7793 3.7793 13.200 90 90 90 I4/mmm |
|
atom x y z occ |
|
La1 0 0 .3609 .925 |
|
Sr1 0 0 .3609 .075 |
|
Cu1 0 0 0 |
|
O1 0 .5 0 |
|
O2 0 0 .184 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba2 Cu1.06 O6 Tl1.94 |
| |
Opagiste C, Couach M, Khoder A, Abraham R, Jondo T, Jorda J, |
|
Cohen-Adad M, Junod A, Triscone G, Muller J |
| |
Journal of Alloys and Compounds 195 (1993) 47-52 |
|
A new elaboration process of the superconducting Tl2Ba2CuO6 phase with Tc=90K |
|
_cod_database_code 1008594 |
|
_database_code_amcsd 0016485 |
|
3.8714 3.8714 23.269 90 90 90 I4/mmm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Tl1 .039 .017 .29735 .1213 |
|
Cu1 .039 .017 .29735 .0037 |
|
Ba1 0 0 .08292 .0085 .0085 .0123 0 0 0 |
|
Cu2 0 0 .5 .0054 .0054 .0138 0 0 0 |
|
O1 0 .5 0 .003 .010 .019 0 0 0 |
|
O2 0 0 .3832 .021 .021 .007 0 0 0 |
|
O3 0 .085 .2110 .25 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Cu1.8 Mo6 S8 |
| |
Baillif R, Yvon K, Fluekiger R, Muller J |
| |
Journal of Low Temperature Physics 37 (1979) 2319-2379 |
|
The tricilic structure of Cu1.8 Mo6 S8 in the superconducting state |
|
_cod_database_code 1008606 |
|
_database_code_amcsd 0016497 |
|
6.479 6.569 6.559 96.89 93.44 95.74 P-1 |
|
atom x y z occ |
|
Mo1 .22 .406 .543 |
|
Mo2 .406 .537 .221 |
|
Mo3 .544 .219 .401 |
|
S1 .373 .141 .716 |
|
S2 .137 .717 .381 |
|
S3 .728 .383 .126 |
|
S4 .204 .196 .2 |
|
Cu1 .159 -.058 .909 .9 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba Fe6.06 O11 Zn0.94 |
| |
Collomb A, Muller J, Guitel J, Desvignes J |
| |
Journal of Magnetism and Magnetic Materials 78 (1989) 77-84 |
|
Crystal structure and zinc location in the Ba Zn Fe6 O11 Y-type |
|
hexagonal ferrite |
|
_cod_database_code 1008804 |
|
_database_code_amcsd 0016675 |
|
5.875 5.875 43.571 90 90 120 R-3m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba1 0 0 .29992 .0116 .0116 .0095 .0058 0 0 |
|
Zn1 0 0 .37610 .25 .0087 .0087 .0071 .0043 0 0 |
|
Fe1 0 0 .37610 .75 .0087 .0087 .0071 .0043 0 0 |
|
Zn2 0 0 .15227 .69 .0084 .0084 .0091 .0042 0 0 |
|
Fe2 0 0 .15227 .31 .0084 .0084 .0091 .0042 0 0 |
|
Fe3 0 0 .06522 .0095 .0095 .0084 .0047 0 0 |
|
Fe4 0 0 .5 .0077 .0077 .0073 .0038 0 0 |
|
Fe5 .50317 .49683 .19073 .0090 .0090 .0079 .0050 .00 .00 |
|
Fe6 0 0 0 .0096 .0096 .0062 .0048 0 0 |
|
O1 0 0 .41973 .0087 .0087 .0110 .0043 0 0 |
|
O2 0 0 .19738 .006 .006 .0133 .0030 0 0 |
|
O3 .15727 .84273 .02884 .0138 .0138 .0119 .0060 -.0033 .0033 |
|
O4 .82936 .17064 .08511 .0120 .0120 .0083 .0049 -.0001 .0001 |
|
O5 .17998 .82002 .13754 .0094 .0094 .0086 .0042 -.0003 .0003 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba0.99 Fe6.02 O11 Zn0.94 |
| |
Muller J, Collomb A, Fournier T, Harrowfield I, Samaras D |
| |
Journal of Magnetism and Magnetic Materials 102 (1991) 305-313 |
|
Composition and structure of some (Ba1-pSrp)Zn Fe6O11Y-type |
|
hexagonal ferrites |
|
_cod_database_code 1008505 |
|
_database_code_amcsd 0016398 |
|
5.8723 5.8723 43.556 90 90 120 R-3m |
|
atom x y z occ |
|
Ba1 0 0 .29993 .99 |
|
Zn1 0 0 .37610 .25 |
|
Fe1 0 0 .37610 .73 |
|
Zn2 0 0 .15219 .69 |
|
Fe2 0 0 .15219 .29 |
|
Fe3 0 0 .06530 |
|
Fe4 0 0 .5 |
|
Fe5 .50331 .49669 .10970 |
|
Fe6 0 0 0 |
|
O1 0 0 .41942 |
|
O2 0 0 .19756 |
|
O3 .15687 -.15687 .02896 |
|
O4 .82959 .17041 .08490 |
|
O5 .17988 -.17988 .13777 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba0.7 Fe6.16 O11 Sr0.27 Zn0.83 |
| |
Muller J, Collomb A, Fournier T, Harrowfield I, Samaras D |
| |
Journal of Magnetism and Magnetic Materials 102 (1991) 305-313 |
|
Composition and structure of some (Ba1-pSrp)Zn Fe6O11Y-type |
|
hexagonal ferrites |
|
_cod_database_code 1008506 |
|
_database_code_amcsd 0016399 |
|
5.8656 5.8656 43.503 90 90 120 R-3m |
|
atom x y z occ |
|
Ba1 0 0 .29954 .70 |
|
Sr1 0 0 .29954 .27 |
|
Zn1 0 0 .37582 .15 |
|
Fe1 0 0 .37582 .84 |
|
Zn2 0 0 .15225 .68 |
|
Fe2 0 0 .15225 .32 |
|
Fe3 0 0 .06516 |
|
Fe4 0 0 .5 |
|
Fe5 .50329 .49671 .10962 |
|
Fe6 0 0 0 |
|
O1 0 0 .41918 |
|
O2 0 0 .19749 |
|
O3 .15701 -.15701 .02906 |
|
O4 .82947 .17053 .08463 |
|
O5 .17946 -.17946 .13765 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba0.49 Fe6.13 O11 Sr0.47 Zn0.84 |
| |
Muller J, Collomb A, Fournier T, Harrowfield I, Samaras D |
| |
Journal of Magnetism and Magnetic Materials 102 (1991) 305-313 |
|
Composition and structure of some (Ba1-pSrp)Zn Fe6O11Y-type |
|
hexagonal ferrites |
|
_cod_database_code 1008507 |
|
_database_code_amcsd 0016400 |
|
5.8629 5.8629 43.464 90 90 120 R-3m |
|
atom x y z occ |
|
Ba1 0 0 .29905 .49 |
|
Sr1 0 0 .29905 .47 |
|
Zn1 0 0 .37553 .15 |
|
Fe1 0 0 .37553 .83 |
|
Zn2 0 0 .15229 .69 |
|
Fe2 0 0 .15229 .30 |
|
Fe3 0 0 .06501 |
|
Fe4 0 0 .5 |
|
Fe5 .50320 .49680 .10953 |
|
Fe6 0 0 0 |
|
O1 0 0 .41912 |
|
O2 0 0 .19768 |
|
O3 .15684 -.15684 .02905 |
|
O4 .82930 .17070 .08449 |
|
O5 .17977 -.17977 .13766 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba0.28 Fe6.07 O11 Sr0.67 Zn0.88 |
| |
Muller J, Collomb A, Fournier T, Harrowfield I, Samaras D |
| |
Journal of Magnetism and Magnetic Materials 102 (1991) 305-313 |
|
Composition and structure of some (Ba1-pSrp)Zn Fe6O11Y-type |
|
hexagonal ferrites |
|
_cod_database_code 1008508 |
|
_database_code_amcsd 0016401 |
|
5.8585 5.8585 43.412 90 90 120 R-3m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba1 0 0 .29828 .28 .0146 .0146 .0178 .0073 0 0 |
|
Sr1 0 0 .29828 .67 .0146 .0146 .0178 .0073 0 0 |
|
Zn1 0 0 .37527 .16 .0084 .0084 .0093 .0042 0 0 |
|
Fe1 0 0 .37527 .82 .0084 .0084 .0093 .0042 0 0 |
|
Zn2 0 0 .15231 .72 .0070 .0070 .0092 .0035 0 0 |
|
Fe2 0 0 .15231 .25 .0070 .0070 .0092 .0035 0 0 |
|
Fe3 0 0 .06494 .0083 .0083 .0088 .0041 0 0 |
|
Fe4 0 0 .5 .0070 .0070 .0081 .0035 0 0 |
|
Fe5 .50309 .49691 .10945 .0071 .0071 .0091 .0042 .0000 .0000 |
|
Fe6 0 0 0 .0089 .0089 .0080 .0044 0 0 |
|
O1 0 0 .41882 .0073 .0073 .0080 .0037 0 0 |
|
O2 0 0 .19759 .0057 .0057 .0118 .0028 0 0 |
|
O3 .15605 -.15605 .02911 .0195 .0195 .0173 .0122 -.0032 .0032 |
|
O4 .82901 .17099 .08422 .0084 .0084 .0112 .0037 .0010 -.0010 |
|
O5 .18006 -.18006 .13757 .0092 .0092 .0103 .0049 .0001 -.0001 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fe12 O19 Sr |
| |
Muller J, Collomb A |
| |
Journal of Magnetism and Magnetic Materials 103 (1992) 194-203 |
|
A new representation of the bipyramidal site in the Sr Fe12 O19 M-type |
|
hexagonal ferrite between 4.6 and 195 K |
|
_cod_database_code 1008855 |
|
_database_code_amcsd 0016721 |
|
5.8758 5.8758 22.95799 90 90 120 P6_3/mmc |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Sr1 1/3 2/3 .75 .0043 .0043 .0037 .0022 0 0 |
|
Fe1 0 0 0 .0030 .0030 .0028 .0015 0 0 |
|
Fe2 0 0 .2525 .5 |
|
Fe3 1/3 2/3 .02723 .0036 .0036 .0028 .0018 0 0 |
|
Fe4 1/3 2/3 .19091 .0030 .0030 .0036 .0015 0 0 |
|
Fe5 .16884 .33768 -.10925 .0030 .0030 .0038 .0015 -.00001 -.00002 |
|
O1 0 0 .1520 .0036 .0036 .0035 .0018 0 0 |
|
O2 1/3 2/3 -.0551 .0051 .0051 .0036 .0026 0 0 |
|
O3 .1820 .3640 .25 .0101 .0073 .0049 .0037 0 0 |
|
O4 .1561 .3122 .0526 .0039 .0052 .0046 .0026 .0007 .0014 |
|
O5 .5047 .0094 .1512 .0054 .0063 .0051 .0032 .0001 .0002 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Fe12 O19 Sr |
| |
Muller J, Collomb A |
| |
Journal of Magnetism and Magnetic Materials 103 (1992) 194-203 |
|
A new representation of the bipyramidal site in the Sr Fe12 O19 M-type |
|
hexagonal ferrite between 4.6 and 195 K |
|
_cod_database_code 1008856 |
|
_database_code_amcsd 0016722 |
|
5.8821 5.8821 23.02299 90 90 120 P6_3/mmc |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Sr1 1/3 2/3 .75 .0137 .0137 .0109 .0069 0 0 |
|
Fe1 0 0 0 .0064 .0064 .0057 .0032 0 0 |
|
Fe2 0 0 .2558 .5 |
|
Fe3 1/3 2/3 .02728 .0074 .0074 .0045 .0037 0 0 |
|
Fe4 1/3 2/3 .19080 .0054 .0054 .0062 .0027 0 0 |
|
Fe5 .16878 .33756 -.10921 .0057 .0057 .0071 .0029 .0001 .0002 |
|
O1 0 0 .1516 .0051 .0051 .008 .0026 0 0 |
|
O2 1/3 2/3 -.0552 .0103 .0103 .0033 .0052 0 0 |
|
O3 .1828 .3656 .25 .0131 .0049 .0112 .0025 0 0 |
|
O4 .1563 .3126 .0524 .0093 .0045 .0079 .0023 .0008 .0015 |
|
O5 .5051 .0102 .1510 .0071 .0090 .0101 .0045 .0008 .0015 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba0.98 Fe5.905 O11 Zn0.94 |
| |
Collomb A, Muller J, Argoud R |
| |
Journal of Magnetism and Magnetic Materials 130 (1994) 367-376 |
|
Low-temperature studies of two Y-type hexagonal ferrites: Ba Zn Fe6 O11 |
|
and Ba Co Fe6 O11 |
|
_cod_database_code 1008690 |
|
_database_code_amcsd 0016576 |
|
5.861 5.861 43.50299 90 90 120 R-3m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba1 0 0 .29996 .98 .0036 .0036 .0035 .0018 0 0 |
|
Zn1 0 0 .37611 .25 .0025 .0025 .0026 .0013 0 0 |
|
Fe1 0 0 .37611 .72 .0025 .0025 .0026 .0013 0 0 |
|
Zn2 0 0 .15226 .69 .0029 .0029 .0026 .0014 0 0 |
|
Fe2 0 0 .15225 .28 .0029 .0029 .0026 .0014 0 0 |
|
Fe3 0 0 .06521 .99 .0036 .0036 .0023 .0018 0 0 |
|
Fe4 0 0 .5 .98 .0027 .0027 .0026 .0014 0 0 |
|
Fe5 .50332 .49668 .10969 .99 .0032 .0032 .0033 .0018 0 0 |
|
Fe6 0 0 0 .99 .0030 .0030 .0030 .0015 0 0 |
|
O1 0 0 .41941 .0038 .0038 .0040 .0019 0 0 |
|
O2 0 0 .19752 .0032 .0032 .0077 .0016 0 0 |
|
O3 .15735 -.15735 .02883 .0073 .0073 .0061 .0034 -.0019 .0019 |
|
O4 .82981 .17019 .08483 .0047 .0047 .0056 .0022 .0007 -.0007 |
|
O5 .17959 -.17959 .13771 .0043 .0043 .0048 .0014 .0004 -.0004 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba0.96 Co0.985 Fe6.015 O11 |
| |
Collomb A, Muller J, Argoud R |
| |
Journal of Magnetism and Magnetic Materials 130 (1994) 367-376 |
|
Low-temperature studies of two Y-type hexagonal ferrites: Ba Zn Fe6 O11 |
|
and Ba Co Fe6 O11 |
|
_cod_database_code 1008691 |
|
_database_code_amcsd 0016577 |
|
5.851 5.851 43.45399 90 90 120 R-3m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba1 0 0 .29991 .96 .0040 .0040 .0027 .002 0 0 |
|
Fe1 0 0 .37641 .0043 .0043 .0027 .0021 0 0 |
|
Co1 0 0 .15224 .26 .0037 .0037 .0021 .0018 0 0 |
|
Fe2 0 0 .15224 .74 .0037 .0037 .0021 .0018 0 0 |
|
Fe3 0 0 .06521 .0044 .0044 .0030 .0022 0 0 |
|
Co2 0 0 .5 .09 .0035 .0035 .0026 .0017 0 0 |
|
Fe4 0 0 .5 .91 .0035 .0035 .0026 .0017 0 0 |
|
Co3 .50398 .49602 .10959 .19 .0041 .0041 .0021 .0023 0 0 |
|
Fe5 .50398 .49602 .10959 .81 .0041 .0041 .0021 .0023 0 0 |
|
Co4 0 0 0 .22 .0036 .0036 .0017 .0018 0 0 |
|
Fe6 0 0 0 .78 .0036 .0036 .0017 .0018 0 0 |
|
O1 0 0 .41946 .0057 .0057 .0063 .0028 0 0 |
|
O2 0 0 .19631 .0072 .0072 .0041 .0036 0 0 |
|
O3 .15792 -.15792 .02898 .0080 .0080 .0058 .0036 -.0011 .0011 |
|
O4 .83027 .16973 .08475 .0064 .0064 .0041 .0033 .0008 -.0008 |
|
O5 .17729 -.17729 .13824 .0084 .0084 .0031 .0051 .0001 -.0001 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fe0.75 O4 V1.25 |
| |
Muller J, Joubert J, Marezio M |
| |
Journal of Solid State Chemistry 18 (1976) 357-362 |
|
Etude des phases du systeme Fe V O4 - V O2, obtenues par synthese |
|
hydrothermale a 70 kbar et 1273k |
|
_cod_database_code 1008070 |
|
_database_code_amcsd 0016012 |
|
4.49 5.55 4.88 90 90 90 P-1 |
|
atom x y z occ |
|
V1 .9996 .1700 .2524 .625 |
|
Fe1 .9996 .1700 .2524 .375 |
|
V2 .4997 .6697 .2475 .625 |
|
Fe2 .4997 .6697 .2475 .375 |
|
O1 .2659 .3790 .4160 |
|
O2 .2306 .1190 .9151 |
|
O3 .2658 .6215 .9154 |
|
O4 .7635 .1206 .5848 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fe O8 V3 |
| |
Muller J, Joubert J, Marezio M |
| |
Journal of Solid State Chemistry 27 (1979) 191-199 |
|
Synthese et structure crystalline d'un nouvel oxyde mixte "FeV3O8" |
|
(Fex V1-x O2; x=approximately 0.25) |
|
_cod_database_code 1008165 |
|
_database_code_amcsd 0016105 |
|
12.129 3.679 6.547 90 106.85 90 C2/m |
|
atom x y z occ |
|
Fe1 .30749 0 .72232 .5 |
|
V1 .39847 0 .30474 |
|
V2 .30749 0 .72232 .5 |
|
O1 .3678 0 .9882 |
|
O2 .2323 0 .3438 |
|
O3 .4404 0 .6308 |
|
O4 .01389 0 .7108 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fe H0.5 O6 V2 |
| |
Muller J, Joubert J, Marezio M |
| |
Journal of Solid State Chemistry 27 (1979) 367-382 |
|
Synthese et structure cristalline d'un nouvel oxyde mixte FeV2O6H0.5. |
|
Relation avec la structure type Diaspore |
|
_cod_database_code 1008047 |
|
_database_code_amcsd 0015989 |
|
4.891 9.553 8.786 90 90 90 P2_12_12_1 |
|
atom x y z occ |
|
Fe1 .1531 .1449 .0868 .5 |
|
V1 .1531 .1449 .0868 .5 |
|
V2 .1498 .1465 .7488 .5 |
|
Fe2 .1498 .1465 .7488 .5 |
|
V3 -.1462 .0540 .4136 |
|
O1 .028 .0063 .252 |
|
O2 .039 .0164 .583 |
|
O3 -.030 .0260 .919 |
|
O4 .180 -.2727 .100 |
|
O5 .157 -.2304 .418 |
|
O6 .147 -.243 .745 |
|
H1 .24 .32 .33 .5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fe6.5 O35 V11.5 |
| |
Grey I, Anne M, Collomb A, Muller J, Marezio M |
| |
Journal of Solid State Chemistry 37 (1981) 219-227 |
|
The Crystal Structure of a New Mixed Oxide of Iron and Vanadium, (FeV)18O35 |
|
_cod_database_code 1008121 |
|
_database_code_amcsd 0016063 |
|
10.209 9.387 6.564 100.52 94.35 98.85 P-1 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Fe1 .38198 .00505 .34189 .8 .0065 .0066 .0064 .0011 .0002 .0011 |
|
V1 .38198 .00505 .34189 .2 .0065 .0066 .0064 .0011 .0002 .0011 |
|
Fe2 .41738 .30556 .20229 .8 .0113 .0062 .0058 .0006 .0000 .0016 |
|
V2 .41738 .30556 .20229 .2 .0113 .0062 .0058 .0006 .0000 .0016 |
|
V3 .70031 .00284 .16619 .0060 .0065 .0056 .0011 .0009 .0006 |
|
V4 .50781 .68489 .29032 .0063 .0061 .0055 .0020 .0010 .0010 |
|
V5 .10557 .30164 .38373 .0069 .0059 .0048 .0013 .0010 .0005 |
|
Fe3 .01298 .93745 .25177 .5 .0091 .0106 .0541 .0025 .0000 -.0082 |
|
V6 .01298 .93745 .25177 .5 .0091 .0106 .0541 .0025 .0000 -.0082 |
|
Fe4 .81805 .64649 .09079 .8 .00740 .0082 .0072 .0011 .0005 .0018 |
|
V7 .81805 .64649 .09079 .2 .0074 .0082 .0072 .0011 .0005 .0018 |
|
Fe5 .78192 .37963 .27240 .35 .0143 .0044 .0050 .0014 .0013 .0006 |
|
V8 .78192 .37963 .27240 .65 .0141 .0044 .0050 .0014 .0013 .0006 |
|
V9 .18551 .71694 .21951 .0067 .0063 .0061 .0015 .0011 .0014 |
|
O1 0 0 0 .01640 .0129 .0108 .0014 .0016 .0057 |
|
O2 .4315 .5232 .3132 .0126 .0093 .0134 .0024 .0029 .0010 |
|
O3 .0024 .7301 .1513 .0068 .0075 .0107 .0009 .0005 -.0012 |
|
O4 .6064 .3418 .2416 .0205 .0156 .0193 .0092 .0090 .0064 |
|
O5 .9879 .3871 .3109 .0102 .0104 .0107 .0037 .0008 .0013 |
|
O6 .8084 .5950 .3788 .0115 .0074 .0061 .0010 .0008 -.0008 |
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O7 .4046 .2252 .4674 .0120 .0073 .0104 .0036 .0006 .0024 |
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O8 .1927 .6512 .4332 .0144 .0119 .0092 .002 .0015 .0027 |
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O9 .3860 .0807 .0776 .0115 .0088 .0092 .0007 .0007 .0020 |
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O10 .3840 .7852 .2255 .0082 .0065 .0097 .0007 .0003 .0003 |
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O11 .1923 .5625 .9919 .0102 .007 .0078 .0019 .0013 .0014 |
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O12 .7808 .1679 .1474 .0114 .0076 .0150 .0002 .0031 .0002 |
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O13 .1974 .9274 .3016 .0059 .0074 .0130 .0002 -.0005 .0002 |
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O14 .0327 .1318 .4300 .0116 .0084 .0087 .0010 .0016 .0002 |
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O15 .8128 .8962 .2263 .0091 .0125 .0125 .0028 .0000 .0049 |
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O16 .6127 .6631 .0936 .0103 .0126 .0064 .0022 .0016 .0023 |
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O17 .5875 .0171 .3575 .0081 .0114 .0078 .0010 .0009 .0028 |
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O18 .2113 .2951 .1843 .0094 .0131 .0064 .0043 .0002 .0018 |
|
|
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|
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Cu3 Nd O12 Ru4 |
| |
Muller J, Haouzi A, Laviron C, Labeau M, Joubert J |
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Materials Research Bulletin 21 (1986) 1131-1136 |
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Conductivie electrique et caracterisation cristallographique des |
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composes type perovskite Nd Cu3 Rux Ti4-x O12 (1 |
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Nd(2+x)/3 Cu3 Rux Ti4-x O12 (x<1) |
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_cod_database_code 1008633 |
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_database_code_amcsd 0016522 |
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7.455 7.455 7.455 90 90 90 Im3 |
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atom x y z |
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Nd1 0 0 0 |
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Cu1 0 .5 .5 |
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Ru1 .25 .25 .25 |
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O1 .1721 .3050 0 |
|
|
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|
| |
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Cu0.375 Nd1.625 O6.625 Ru2 |
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Haouzi A, Muller J, Joubert J |
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Materials Research Bulletin 21 (1986) 1489-1493 |
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Characterisations electrique et cristallographique des phases de type |
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pyrochlore Nd2-y Cuy Ru2 O7-y |
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_cod_database_code 1008702 |
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_database_code_amcsd 0016588 |
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10.2475 10.2475 10.2475 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ |
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Nd1 .5 .5 .5 .81 |
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Cu1 .5 .5 .5 .19 |
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Ru1 0 0 0 |
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O1 .3290 .125 .125 |
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O2 .375 .375 .375 .625 |
|
|
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|
| |
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Ba0.99 Fe6.295 Mg0.705 O11 |
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Collomb A, Muller J, Fournier T |
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Materials Research Bulletin 28 (1993) 621-627 |
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Magnesium location in the barium-magnesium-iron Y-type hexagonal ferrite |
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_cod_database_code 1008651 |
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_database_code_amcsd 0016539 |
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5.865 5.865 43.48599 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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Ba1 0 0 .29985 .99 .0088 .0088 .0088 .0044 0 0 |
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Mg1 0 0 .37646 .04 .0049 .0049 .0043 .0025 0 0 |
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Fe1 0 0 .37646 .96 .0049 .0049 .0043 .0025 0 0 |
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Mg2 0 0 .15225 .14 .0041 .0041 .0051 .0021 0 0 |
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Fe2 0 0 .15225 .86 .0041 .0041 .0051 .0021 0 0 |
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Fe3 0 0 .06558 .0054 .0054 .0050 .0027 0 0 |
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Mg3 0 0 .5 .12 .0051 .0051 .0038 .0025 0 0 |
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Fe4 0 0 .5 .88 .0051 .0051 .0038 .0025 0 0 |
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Mg4 .50381 .49619 .10962 .135 .0055 .0055 .0056 .0033 .0000 .0000 |
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Fe5 .50381 .49619 .10962 .865 .0055 .0055 .0056 .0033 .0000 .0000 |
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Mg5 0 0 0 .12 .0065 .0065 .0043 .0032 0 0 |
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Fe6 0 0 0 .88 .0065 .0065 .0043 .0032 0 0 |
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O1 0 0 .41978 .0059 .0059 .0038 .0030 0 0 |
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O2 0 0 .19632 .0045 .0045 .0081 .0023 0 0 |
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O3 .15830 .84170 .02892 .0099 .0099 .0113 .0051 -.0027 .0027 |
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O4 .82994 .17006 .08495 .0051 .0051 .0073 .0020 .0009 -.0009 |
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O5 .17682 .82318 .13835 .0061 .0061 .0056 .0034 .0001 -.0001 |
|
|
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|
| |
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B68 Fe68 Nd19 |
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Bezinge A, Yvon K, Braun H, Muller J, Nissen H |
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Physical Review B36 (1987) 1406-1414 |
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Nd1+e Fe4 B4: A composition-modulated compound with |
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incommensurate composite crystal structure. |
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_cod_database_code 1008634 |
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_database_code_amcsd 0016523 |
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7.1226 7.1226 66.2 90 90 90 *P4_2/n |
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.25 .25 .25 |
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atom x y z |
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Nd1 .75 .75 .04 |
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Nd2 .75 .75 .0925 |
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Nd3 .75 .75 .1444 |
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Nd4 .75 .75 .1967 |
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Nd5 .75 .75 .25 |
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Nd6 .75 .75 .5134 |
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Nd7 .75 .75 .5662 |
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Nd8 .75 .75 .6184 |
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Nd9 .75 .75 .6708 |
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Nd10 .75 .75 .7234 |
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Fe1 .129 .632 .0210 |
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Fe2 .136 .884 .0505 |
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Fe3 .137 .623 .0805 |
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Fe4 .127 .872 .1100 |
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Fe5 .133 .609 .1401 |
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Fe6 .126 .863 .1686 |
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Fe7 .142 .604 .1980 |
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Fe8 .120 .869 .2271 |
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Fe9 .143 .622 .2561 |
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Fe10 .119 .872 .2859 |
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Fe11 .137 .628 .3153 |
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Fe12 .134 .883 .3456 |
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Fe13 .128 .626 .3747 |
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Fe14 .143 .888 .4042 |
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Fe15 .113 .630 .4334 |
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Fe16 .145 .878 .4627 |
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Fe17 .108 .632 .4916 |
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B1 .525 .423 .0383 |
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B2 .554 .419 .0943 |
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B3 .618 .334 .1489 |
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B4 .678 .553 .2000 |
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B5 .679 .486 .2511 |
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B6 .594 .475 .3296 |
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B7 .586 .417 .3901 |
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B8 .581 .361 .4671 |
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B9 .558 .402 .5087 |
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B10 .607 .314 .5422 |
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B11 .554 .422 .6266 |
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B12 .580 .429 .6846 |
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B13 .586 .452 .7434 |
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B14 .578 .458 .8026 |
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B15 .578 .451 .8603 |
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B16 .555 .420 .9207 |
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B17 .550 .434 .9779 |
|
|
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|
| |
|
B60 Fe60 Sm17 |
| |
Bezinge A, Braun H, Muller J, Yvon K |
| |
Solid State Communications 55 (1985) 131-135 |
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Tetragonal rare earth (R) iron borides, R(1+x) Fe4 B4 (x=0.1), |
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with incommensurate rare earth and iron substructures |
|
_cod_database_code 1008320 |
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_database_code_amcsd 0016235 |
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7.098 7.098 58.69 90 90 90 *P4_2/n |
|
.25 .25 .25 |
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atom x y z |
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Sm1 .25 .25 .25 |
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Sm2 .25 .25 .0147 |
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Sm3 .25 .25 .0735 |
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Sm4 .25 .25 .1323 |
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Sm5 .25 .25 .1912 |
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Sm6 .25 .25 .5441 |
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Sm7 .25 .25 .6029 |
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Sm8 .25 .25 .6618 |
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Sm9 .25 .25 .7206 |
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Fe1 .1206 .6307 .0253 |
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Fe2 .1266 .8755 .0587 |
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Fe3 .1379 .6227 .092 |
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Fe4 .1195 .8686 .1253 |
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Fe5 .1341 .6175 .1587 |
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Fe6 .1171 .8654 .192 |
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Fe7 .1332 .6183 .2253 |
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Fe8 .1209 .8696 .2587 |
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Fe9 .1265 .6246 .292 |
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Fe10 .1287 .8775 .3253 |
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Fe11 .1189 .6326 .3587 |
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Fe12 .1355 .8837 .392 |
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Fe13 .1152 .6369 .4253 |
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Fe14 .1364 .8849 .4587 |
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Fe15 .1174 .6342 .492 |
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B1 .528 .408 .0417 |
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B2 .528 .408 .108 |
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B3 .528 .408 .175 |
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B4 .528 .408 .242 |
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B5 .528 .408 .308 |
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B6 .528 .408 .375 |
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B7 .528 .408 .442 |
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B8 .528 .408 .508 |
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B9 .528 .408 .575 |
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B10 .528 .408 .642 |
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B11 .528 .408 .708 |
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B12 .528 .408 .775 |
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B13 .528 .408 .842 |
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B14 .528 .408 .908 |
|
B15 .528 .408 .975 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Mo N |
| |
Bezinge A, Yvon K, Muller J, Lengauer W, Ettmayer P |
| |
Solid State Communications 63 (1987) 141-145 |
|
High-pressure high temperature experiments on delta-Mo N |
|
_cod_database_code 1009056 |
|
_database_code_amcsd 0016917 |
|
5.745 5.745 5.622 90 90 120 P6_3mc |
|
atom x y z |
|
Mo1 0 0 .25 |
|
Mo2 .49 .51 .25 |
|
N1 1/3 2/3 .5 |
|
N2 1/6 .833 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
B7 Mg3 O12.65 S0.85 |
| |
Fouassier C, Levasseur A, Joubert J, Muller J, Hagenmueller P |
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Zeitschrift fur Anorganische und Allgemeine Chemie 375 (1970) 202-208 |
|
Les systemes B2 O3 - MO - MS boracites M-S (M= Mg, Mn, Fe, Cd) et |
|
sodalites M-S (M= Co, Zn) |
|
_cod_database_code 1008914 |
|
_database_code_amcsd 0016781 |
|
12.097 12.097 12.097 90 90 90 F-43c |
|
atom x y z occ |
|
O1 0 0 0 .65 |
|
O2 .021 .098 .18 |
|
S1 .25 .25 .25 .85 |
|
Mg1 .25 .25 0 |
|
B1 .25 0 0 |
|
B2 .085 .085 .085 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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