|
Ba9 N12 Nb2 |
| |
Clarke S, DiSalvo F |
| |
Zeitschrift fur Kristallographie 212 (1997) 109-310 |
|
Barium niobium nitride azide: Ba9 (NbN4)2 N (N3) |
|
_cod_database_code 1005035 |
|
_database_code_amcsd 0011071 |
|
7.9979 9.6273 12.6441 75.867 85.690 87.868 P-1 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba1 .49877 .31963 .42215 .0154 .0126 .0087 .0029 -.0023 .0020 |
|
Ba2 .47032 .62082 .12846 .0141 .0114 .0089 .0016 -.0017 .0017 |
|
Ba3 .03505 .23792 .38091 .0160 .0130 .0095 -.0013 -.0019 .0019 |
|
Ba4 .25404 .01183 .00081 .0244 .0129 .0087 -.0011 -.0029 .0028 |
|
Ba5 .17130 .58103 .38265 .0130 .0138 .0173 .0017 -.0030 .0039 |
|
Ba6 .46039 .93085 .27294 .0151 .0116 .0097 .0020 -.0014 .0028 |
|
Ba7 .01646 .07014 .72210 .0155 .0109 .0124 .0012 -.0038 .0011 |
|
Ba8 .00770 .38349 .89294 .0142 .0143 .0100 .0013 -.0016 -.0007 |
|
Ba9 .26964 .70884 .83999 .0170 .0105 .0089 .0013 -.0030 .0024 |
|
Nb1 .2689 .29598 .12013 .0109 .0087 .0048 .0009 -.0021 .0031 |
|
Nb2 .2703 .36480 .66384 .0122 .0084 .0051 .0019 -.0020 .0041 |
|
N1 .1930 .5478 .6991 |
|
N2 .2951 .3632 .2527 |
|
N3 .0587 .1914 .1248 |
|
N4 .2161 .7989 .1795 |
|
N5 .1447 .3267 .5452 |
|
N6 .2435 .2046 .7944 |
|
N7 .4925 .6326 .3771 |
|
N8 .2611 .4675 .0016 |
|
N9 .4567 .1682 .0829 |
|
N10 .2107 .9435 .4439 |
|
N11 .3002 .9274 .6286 |
|
N12 .2596 .9439 .5324 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Sr3Ge2N2 |
| |
Clarke S, Kowach G, DiSalvo F |
| |
Inorganic Chemistry 35 (1996) 7009-7012 |
|
Synthesis and structure of two new strontium germanium nitrides: |
|
Sr3Ge2N2 and Sr2GeN2 |
|
_cod_database_code 1005027 |
|
_database_code_amcsd 0012718 |
|
9.032 3.883 9.648 90 112.42 90 P2_1/m |
|
atom x y z |
|
Sr1 .3165 .25 .9442 |
|
Sr2 .5202 .25 .6701 |
|
Sr3 .1175 .25 .3522 |
|
Ge1 .7580 .25 .3485 |
|
Ge2 .9155 .25 .9441 |
|
N1 .6804 .25 .5108 |
|
N2 .5733 .25 .1784 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Sr2GeN2 |
| |
Clarke S, Kowach G, DiSalvo F |
| |
Inorganic Chemistry 35 (1996) 7009-7012 |
|
Synthesis and structure of two new strontium germanium nitrides: |
|
Sr3Ge2N2 and Sr2GeN2 |
|
_cod_database_code 1005028 |
|
_database_code_amcsd 0012719 |
|
11.773 11.773 5.409 90 90 90 P4_2/mbc |
|
atom x y z |
|
Sr1 .3671 .4190 0 |
|
Sr2 .0224 .3482 0 |
|
Ge1 .2559 .1514 0 |
|
N1 .0996 .1340 0 |
|
N2 .3353 .0131 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Ga Ge N |
| |
Clarke S, DiSalvo F |
| |
Journal of Alloys and Compounds 259 (1997) 158-162 |
|
Synthesis and structure of the subnitrides Ba2GeGaN and |
|
(Bax Sr1-x)3Ge2N2; x = 0.7 |
|
_cod_database_code 1005040 |
|
_database_code_amcsd 0012795 |
|
7.249 4.210 9.314 90 108.87 90 P2_1/m |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba1 .7962 .25 .0384 .0086 .010 .0116 0 -.0008 0 |
|
Ba2 .8108 .25 .6173 .0122 .009 .0121 0 .0005 0 |
|
Ge1 .3403 .25 .7034 .012 .007 .016 0 .000 0 |
|
Ga1 .4609 .25 .2464 .009 .007 .011 0 -.001 0 |
|
N1 .185 .25 .174 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2.35 Ge2 N2 Sr0.65 |
| |
Clarke S, DiSalvo F |
| |
Journal of Alloys and Compounds 259 (1997) 158-162 |
|
Synthesis and structure of the subnitrides Ba2GeGaN and |
|
(Bax Sr1-x)3Ge2N2; x = 0.7 |
|
_cod_database_code 1005041 |
|
_database_code_amcsd 0012796 |
|
9.5109 4.0201 10.0412 90 113.06 90 P2_1/m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba1 .0277 .25 .1733 .63 .0157 .0100 .0117 0 .0056 0 |
|
Sr1 .0277 .25 .1733 .37 .0157 .0100 .0117 0 .0056 0 |
|
Ba2 .6154 .25 .8551 .96 .0146 .0117 .0122 0 .0031 0 |
|
Sr2 .6154 .25 .8551 .04 .0146 .0117 .0122 0 .0031 0 |
|
Ba3 .8134 .25 .4424 .76 .0151 .0105 .0107 0 .0042 0 |
|
Sr3 .8134 .25 .4424 .24 .0151 .0105 .0107 0 .0042 0 |
|
Ge1 .2462 .25 .8470 .0137 .0140 .0102 0 .0030 0 |
|
Ge2 .4212 .25 .4455 .0194 .0109 .0149 0 .0046 0 |
|
N1 .180 .25 0 |
|
N2 .067 .25 .673 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ca3 Ga2 N4 |
| |
Clarke S, DiSalvo F |
| |
Journal of Alloys and Compounds 274 (1998) 118-121 |
|
Synthesis and structure of $-beta-(Ca3 Ga2 N4), a ternary nitride with |
|
two interpenetrating three dimensional nets |
|
_cod_database_code 1005049 |
|
_database_code_amcsd 0012816 |
|
11.210 11.210 15.914 90 90 90 *I4_1/acd |
|
0 -.25 .125 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ga1 .41834 .12561 .18705 .0073 .0066 .0052 -.0002 .0010 .0001 |
|
Ca1 .1391 .0912 .037 .31 .016 .013 .018 .002 .001 -.002 |
|
Ca2 .1207 .0865 .0099 .69 .016 .015 .019 .005 .003 .002 |
|
Ca3 .1141 .3641 .125 .0099 .0099 .0073 -.0007 -.0003 .0003 |
|
N1 .2893 .2140 .1297 .014 .013 .016 .000 -.002 .003 |
|
N2 .3330 0 .25 .007 .006 .005 0 0 .000 |
|
N3 0 .25 .0133 .010 .010 .008 .000 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
N5 Na Ta3 |
| |
Clarke S, DiSalvo F |
| |
Journal of Solid State Chemistry 132 (1997) 394-398 |
|
A new conducting ternary nitride : Nax Ta3 N5 (0 |
|
_cod_database_code 1005042 |
|
_database_code_amcsd 0013938 |
|
3.995 10.197 10.331 90 90 90 Cmcm |
|
atom x y z |
|
Ta1 0 .2004 .25 |
|
Ta2 0 .1384 .5523 |
|
Na1 0 .501 .75 |
|
N1 0 .754 .25 |
|
N2 0 .043 .129 |
|
N3 0 .344 .076 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
