American Mineralogist Crystal Structure Database

7 matching records for this search.

Ba9N12Nb2
 
Clarke S J, DiSalvo F J
 
Zeitschrift fur Kristallographie 212 (1997) 309-310
Crystal structure of nonabarium bis(tetranitridoniobate)nitride azide, Ba9[NbN4]2N[N3]
_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 (permalink)
 
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 (permalink)
 
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 (permalink)
 
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 (permalink)
 
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 (permalink)
 
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 (permalink)
 
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 (permalink)
 
Download in:

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 7
View in amc, download in amc

Return to AMCSD Home Page