American Mineralogist Crystal Structure Database

61 matching records for this search.

N5 Ta3
 
Brese N, O'Keefe M, Rauch P, DiSalvo F
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=47&spage=2291
Acta Crystallographica C47 (1991) 2291-2294
Structure of Ta3N5 at 16 K by time-of-flight neutron diffraction
_cod_database_code 1005006
_database_code_amcsd 0010266
3.8862 10.2118 10.2624 90 90 90 Cmcm
atom x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ta1  0  .1971    .25  .0048  .0083  .0037      0      0      0
Ta2  0 .13455 .55906  .0037  .0075  .0069      0    .01      0
N1   0 .76322    .25  .0080  .0086  .0088      0      0      0
N2   0 .04701 .11949  .0136  .0081  .0083      0 -.0008      0
N3   0 .30862 .07378  .0070  .0083  .0095      0  .0012      0
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Li7 N4 Nb
 
Vennos D, DiSalvo F
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Acta Crystallographica C48 (1992) 610-612
Structure of lithium niobium nitride
_cod_database_code 1005005
_database_code_amcsd 0010271
9.829 9.829 9.829 90 90 90 Pa3
atom     x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Nb1  .3722  .3722  .3722   .003   .003   .003   .000      0      0
N1   .2561  .0143 -.0117   .005   .009   .009   .001   .001   .003
N2   .2589  .2589  .2589   .005   .005   .005  -.002  -.002  -.002
Li1   .632  .1397  .1151   .016   .015   .018   .002   .002   .004
Li2  .1190 -.0988  .8652   .018   .013   .020   .001  -.008   .014
Li3  .1321  .1321  .1321   .013   .013   .013  -.002  -.002  -.002
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Ba3 Ga2 N4
 
Yamane H, DiSalvo F
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Acta Crystallographica C52 (1996) 760-761
Ba3 Ga2 N4
_cod_database_code 1005032
_database_code_amcsd 0010307
6.2010 10.511 10.070 90 90 90 Pnna
atom      x      y      z U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Ba1  .11102 .34415 .91335  .0068  .0102  .0104 -.00213 .00064 -.00179
Ba2     .25      0 .90519  .0100  .0145  .0090   .0037      0       0
Ga1     .25      0 .22957  .0049  .0063  .0064  -.0010      0       0
Ga2   .1636    .25    .25  .0046  .0055  .0079       0      0   .0000
N1    .3612  .1467  .1281   .011   .006   .011    .001   .002   -.003
N2    .0176  .0955  .3294   .011   .008   .011   -.004   .004   -.003
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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
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Ba6 Ni25 S27
 
Gelabert M, Ho M, Malik A, DiSalvo F, Deniard P, Brec R
 
Chemistry - A European Journal 3 (1997) 1884-1889
Structure and properties of Ba6 Ni25 S27
_cod_database_code 1005034
_database_code_amcsd 0012194
10.0565 10.0565 10.0565 90 90 90 Pm3m
atom     x     y     z
Ba1     .5    .5 .1945
Ni1      0     0     0
Ni2  .1360 .3562 .1360
S1      .5    .5    .5
S2       0 .2377     0
S3   .2822 .2822 .2822
S4       0    .5 .2416
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Li Mo N2
 
Elder S, Doerrer L, DiSalvo F, Parise J, Guyomard D, Tarascon J
 
Chemistry of Materials 4 (1992) 928-937
LiMoN2: the first metallic layered nitride
_cod_database_code 1005011
_database_code_amcsd 0012199
2.8674 2.8674 15.801 90 90 120 R3
atom x y     z occ
Mo1  0 0     0 .85
Li1  0 0     0 .15
Mo2  0 0 .8290 .15
Li2  0 0 .8290 .85
N1   0 0 .2520
N2   0 0 .4141
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Ni5.72 Sb Se2
 
Reynolds T K, Bales J G, DiSalvo F J
 
Chemistry of Materials 14 (2002) 4746-4751
Synthesis and Properties of a New Metal-Rich Nickel Antimonide
Telluride or Selenide: Ni7-SbX2 (X = Se or Te)
_cod_database_code 1200020
_database_code_amcsd 0018292
3.7021 3.7021 18.593 90.00 90.00 90.00 I4/mmm
atom x  y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Se1  0  0 .18100      .0159  .0108  .0108  .0261   .000   .000   .000
Sb1  0  0     .5      .0150  .0085  .0085  .0280   .000   .000   .000
Ni1  0  0      0      .0158  .0109  .0109   .026   .000   .000   .000
Ni2  0 .5 .10009      .0163  .0125  .0097  .0266   .000   .000   .000
Ni3  0  0  .3020 .359  .022   .021   .021   .024   .000   .000   .000
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Si Ta4 Te4
 
Badding M, Disalvo F
 
Inorganic Chemistry 29 (1990) 3952-3954
Synthesis and structure of Ta4 Si Te4, a new low-dimensional material
_cod_database_code 1005046
_database_code_amcsd 0012699
10.536 18.27499 4.799 90 90 90 Pbam
atom      x      y     z
Ta1   .0655  .1195    .5
Ta2   .2086 -.0369    .5
Ta3   .1935  .0587     0
Ta4  -.1012  .1108     0
Te1   .3578 -.0650     0
Te2  -.1725  .1906    .5
Te3   .3345  .1004    .5
Te4   .1105  .2064     0
Si1       0      0 .2451
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Ca3 Cr N3
 
Vennos D, Badding M, Disalvo F
 
Inorganic Chemistry 29 (1990) 4059-4062
Synthesis, structure, and properties of a new ternary metal Ca3 Cr N3
_cod_database_code 1005045
_database_code_amcsd 0012700
8.503 10.284 5.032 90 90 90 Cmcm
atom     x      y   z
Ca1      0  .1079 .25
Ca2  .2843 -.1174 .25
Cr1     .5  .1945 .25
N1      .5  .3757 .25
N2   .6918  .1286 .25
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Co Nb Te2
 
Li J, Badding M, DiSalvo F
 
Inorganic Chemistry 31 (1992) 1050-1054
New layered ternary niobium tellurides: synthesis, structure and
properties of NbMTe2 (M=Fe, Co)
_cod_database_code 1005003
_database_code_amcsd 0012701
7.840 14.431 6.237 90 90 90 Cmca
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Nb1  .2968    .5     0   .013   .021   .017      0      0   .006
Co1      0 .4413 .1473   .012   .016   .016      0      0   .000
Te1    .25 .3393   .25   .013   .015   .020      0  -.003      0
Te2     .5 .6127 .2518   .025   .021   .017      0      0   .006
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Fe Nb Te2
 
Li J, Badding M, DiSalvo F
 
Inorganic Chemistry 31 (1992) 1050-1054
New layered ternary niobium tellurides: synthesis, structure and
properties of NbMTe2 (M=Fe, Co)
_cod_database_code 1005004
_database_code_amcsd 0012702
7.922 7.239 6.243 90 90 90 Pmna
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Nb1  .7981    .5     0   .017   .028   .023      0      0  -.008
Fe1      0 .3836 .6465   .017   .025   .019      0      0  -.002
Te1    .75 .1808   .75   .017   .019   .019      0   .003      0
Te2      0 .7257 .7508   .034   .024   .016      0      0   .003
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Ba6 Co25 S27
 
Snyder G, Badding M, DiSalvo F
 
Inorganic Chemistry 31 (1992) 2107-2110
Synthesis, structure and properties of Ba6Co25S27: a perovskite-
like superstructure of Co8S6 and Ba6S clusters
_cod_database_code 1005012
_database_code_amcsd 0012703
10.033 10.033 10.033 90 90 90 Pm3m
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1      .5     .5 .19603   .017   .017   .012      0      0      0
Co1  .13220 .36218 .13220   .014   .018   .014  -.001   .000  -.001
Co2       0      0      0   .012   .012   .012      0      0      0
S1       .5     .5     .5   .015   .015   .015      0      0      0
S2        0  .2361      0   .014   .012   .014      0      0    .16
S3    .2767  .2767  .2767   .016   .016   .016   .003   .003   .003
S4        0     .5  .2462   .015   .015   .012      0      0      0
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Gd0.957 S
 
Rouxel J, Moelo Y, Lafond A, DiSalvo F, Meerschaut A, Roesky R
 
Inorganic Chemistry 33 (1994) 3358-3363
Role of vacancies in misfit layered compounds: the case of the
gadolinium chromium sulfide compound
_cod_database_code 1005015
_database_code_amcsd 0012710
5.454 5.8098 21.461 90 90 90 Cmca
atom  x     y      z  occ
Gd1   0 .1631 .17048 .957
S1   .5  .161  .1998
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LaCa2GeS4Cl3
 
Gitzendanner R, DiSalvo F
 
Inorganic Chemistry 35 (1996) 2623-2626
Synthesis and structure of a new quinary sulfide halide: LaCa2GeS4Cl3
_cod_database_code 1005026
_database_code_amcsd 0012717
9.7311 9.7311 6.3366 90 90 120 P6_3mc
atom     x     y     z  occ
La1  .8118 .1882 .0720 .333
Ca1  .8118 .1882 .0720 .667
Ge1    1/3   2/3     0
Cl1  .1222 .8778 .1670
S1     1/3   2/3 .3501
S2   .5459 .4541 .3608
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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
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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
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Nb3 Si Te6
 
Li J, Badding M, DiSalvo F
 
Journal of Alloys and Compounds 184 (1992) 257-263
Synthesis and structure of Nb3SiTe6, a new layered ternary niobium
telluride compound
_cod_database_code 1005010
_database_code_amcsd 0012762
6.353 13.938 11.507 90 90 90 Pnma
atom     x     y     z
Nb1  .8309   .75 .1650
Nb2  .3050   .75 .0334
Nb3  .0302   .75 .6883
Si1  .9251   .75 .9254
Te1  .1514 .6134 .1820
Te2  .2017 .6161 .8450
Te3  .6465 .6198 .0017
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Ce3 Cl6 N
 
Ehrlich G, Badding M, Brese N, Trail S, DiSalvo F
 
Journal of Alloys and Compounds 206 (1994) 95-101
New cerium nitride chlorides: Ce6 Cl12 N2 and Ce N Cl
_cod_database_code 1005025
_database_code_amcsd 0012764
10.708 11.233 16.52699 90 90 90 Pbca
atom     x      y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ce1  .1409  .0219 .4367   .010   .018   .013   .000   .001  -.001
Ce2  .3394 -.0352 .1773   .013   .023   .012  -.001   .001  -.002
Ce3  .0132  .2105 .0484   .012   .017   .018  -.001   .000   .001
Cl1  .2519  .7834 .4544   .016   .020   .030   .001  -.005   .000
Cl2  .3711  .0608 .3399   .018   .039   .016  -.007   .003  -.007
Cl3  .1034 -.0805 .2722   .017   .033   .018  -.001   .003  -.004
Cl4  .6418 -.0309 .4471   .013   .021   .019   .001  -.001   .000
Cl5  .1691  .2105 .1878   .023   .026   .024   .000  -.005   .003
Cl6  .5311  .6882 .3758   .023   .024   .024  -.004   .005   .002
N1   .4481 -.0929 .0612   .011   .018   .013  -.002   .003  -.001
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Ce3 Pd6 Sb5
 
Gordon R, DiSalvo F, Poettgen R
 
Journal of Alloys and Compounds 228 (1995) 16-22
Crystal structure and physical properties of Ce3 Pd6 Sb5
_cod_database_code 1005017
_database_code_amcsd 0012773
13.481 4.459 10.050 90 90 90 *Pmmn
.25 .25 0
atom      x   y      z
Ce1     .25 .25 .75756
Ce2  .57480 .25 .75467
Pd1  .41109 .25 .00819
Pd2     .25 .75 .01545
Pd3  .56761 .25 .39730
Pd4     .25 .75 .47745
Sb1  .37627 .25 .47697
Sb2  .58653 .25 .13700
Sb3     .25 .25 .16899
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Ce3 Cl6 N
 
Ehrlich G, Badding M, Brese N, Trail S, DiSalvo F
 
Journal of Alloys and Compounds 235 (1996) 133-134
Corrigendum to "New cerium nitride chlorides: Ce6 Cl12 N2 and Ce N Cl"
_cod_database_code 1005022
_database_code_amcsd 0012774
10.708 11.233 16.52699 90 90 90 Pbca
atom     x      y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ce1  .1409  .0219 .4367   .010   .018   .013   .000   .001  -.001
Ce2  .3394 -.0352 .1773   .013   .023   .012  -.001   .001  -.002
Ce3  .0132  .2105 .0484   .012   .017   .018  -.001   .000   .001
Cl1  .2519  .7834 .4544   .016   .020   .030   .001  -.005   .000
Cl2  .3711  .0608 .3399   .018   .039   .016  -.007   .003  -.007
Cl3  .1034 -.0805 .2722   .017   .033   .018  -.001   .003  -.004
Cl4  .6418 -.0309 .4471   .013   .021   .019   .001  -.001   .000
Cl5  .1691  .2105 .1878   .023   .026   .024   .000  -.005   .003
Cl6  .5311  .6882 .3758   .023   .024   .024  -.004   .005   .002
N1   .4481 -.0929 .0612   .011   .018   .013  -.002   .003  -.001
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K2 Ni3 S4
 
Elder S, Jobic S, Brec R, Gelabert M, DiSalvo F
 
Journal of Alloys and Compounds 235 (1996) 135-142
Structural and electronic properties of K2 Ni3 S4, a pseudo-two
dimensional compound with a honeycomb-like arrangement
_cod_database_code 1005023
_database_code_amcsd 0012775
5.723 10.040 26.05899 90 90 90 *Fddd
.125 .125 .125
atom     x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ni1   .125   .125   .125  .0127  .0082  .0143      0      0      0
Ni2   .375   .375 .12443  .0111  .0076  .0139 -.0010      0      0
K1    .625   .125 .04451   .023   .020   .022  -.002      0      0
S1   .1292 -.0413 .06876  .0160  .0107  .0143   .000  .0002 -.0006
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As2 Ce Pd3
 
Gordon R, DiSalvo F, Poettgen R
 
Journal of Alloys and Compounds 236 (1996) 86-91
Physical properties of Ce Pd3 As2
_cod_database_code 1005024
_database_code_amcsd 0012776
16.67299 4.1205 9.998 90 108.045 90 C2/m
atom      x  y      z
Ce1  .15598  0 .70284
Ce2       0  0      0
Pd1  .04476  0 .33466
Pd2  .22065  0 .39307
Pd3  .32235  0 .03232
Pd4  .62616  0 .20334
Pd5       0 .5     .5
As1  .19986  0 .12909
As2  .36393  0 .54658
As3  .46347  0 .21707
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Ba5Si2N6
 
Yamane H, DiSalvo F
 
Journal of Alloys and Compounds 240 (1996) 33-36
Preparation and crystal structure of a new barium silicon nitride, Ba5Si2N6
_cod_database_code 1005021
_database_code_amcsd 0012780
6.159 10.305 15.292 90 90 90 P2_12_12_1
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
N1   .0461 .5735 .1487
Ba1  .0771 .7988 .4340   .008   .011   .009   .000   .001  -.002
Ba2  .0932 .1368 .5105   .018   .018   .014   .005   .002   .000
N2   .1473 .0563 .0635
N3   .1547 .2363 .2107
Ba3  .1606 .4633 .3187   .012   .009   .011   .001   .001   .000
Si1  .1939 .1361 .3067   .007   .007   .006  -.001   .001   .001
Si2  .3098 .1193 .1466   .007   .008   .007  -.002   .000  -.002
N4   .3540 .2133 .3862
N5   .3564 .0198 .2444
Ba4  .4239 .4700 .0974   .009   .013   .013   .001   .000  -.004
N6   .5565 .1803  .105
Ba5  .6741 .2584 .2697   .012   .011   .010   .001   .001   .000
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Ba3 Ge2 N2
 
Yamane H, DiSalvo F
 
Journal of Alloys and Compounds 241 (1996) 69-74
A barium germanium nitride, Ba3 Ge2 N2, containing (1-infinite)Ge(2-)
and (Ge N2)(4-) anions
_cod_database_code 1005031
_database_code_amcsd 0012781
9.6196 4.0466 10.1337 90 113.553 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  .0287 .25 .1739   .009   .011   .010      0   .003      0
N1   .0715 .25 .6764   .021   .011   .011      0   .009      0
N2    .183 .25 .0003   .011   .013   .008      0   .004      0
Ge1  .2468 .25 .8472   .007   .015   .007      0   .001      0
Ge2  .4218 .25 .4455   .011   .010   .013      0   .002      0
Ba2  .6143 .25 .8558   .009   .012   .010      0   .001      0
Ba3  .8123 .25 .4416   .008   .011   .009      0   .002      0
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Ce2 Co Si3
 
Gordon R, Warren C, Alexander M, DiSalvo F, Poettgen R
 
Journal of Alloys and Compounds 248 (1997) 24-32
Substitution in Ce2 T Si3 intermetallic compositions with T = (Cr, Mn,
Fe, Co, or Ni)x (Pd or Au)1-x
_cod_database_code 1005037
_database_code_amcsd 0012782
8.104 8.104 4.197 90 90 120 P6/mmm
atom     x     y  z
Ce1      0     0  0
Ce2     .5     0  0
Co1    1/3   2/3 .5
Si1  .1702 .3403 .5
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Cu N Sr
 
DiSalvo F, Trail S, Yamane H, Brese N
 
Journal of Alloys and Compounds 255 (1997) 122-129
The crystal structure of Sr6 Cu3 N5 with isolated, bent (Cu(I)2 N3)(7-)
anions and the single crystal structural determination of Sr Cu N
_cod_database_code 1005038
_database_code_amcsd 0012786
9.045 13.234 5.388 90 90 90 Pnma
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu1  .1796 .1564 .5129   .007   .004   .004  -.001   .002   .002
Sr1  .3403 .0866 .0157   .004   .005   .005   .001  -.002  -.001
N1   .0871 .0799 .7566   .007   .009   .010   .002   .007   .007
Sr2  .0226   .25 .0020   .002   .005   .004      0   .001      0
N2   .2576   .25 .2844   .005   .002   .004      0   .003      0
Cu2      0     0     0   .007   .008   .005  -.003   .001   .001
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Cu3 N5 Sr6
 
DiSalvo F, Trail S, Yamane H, Brese N
 
Journal of Alloys and Compounds 255 (1997) 122-129
The crystal structure of Sr6 Cu3 N5 with isolated, bent (Cu(I)2 N3)(7-)
anions and the single crystal structural determination of Sr Cu N
_cod_database_code 1005039
_database_code_amcsd 0012787
8.6570 8.6570 7.334 90 90 90 P4_2mc
atom     x     y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sr1  .2664 .3033  .2087   .008   .006   .014  -.001   .002  -.001
Sr2      0    .5  .5198   .003   .010   .020      0      0      0
Sr3      0     0 -.0011   .004   .006   .012      0      0      0
Cu1  .3586     0  .4347   .007   .007   .017      0   .000      0
Cu2     .5    .5  .4731   .003   .005   .016      0      0      0
N1   .2850    .5  .4851   .016   .006   .021      0   .004      0
N2   .2178     0  .2429   .009   .011   .021      0  -.006      0
N3       0    .5  .1383   .010   .006   .027      0      0      0
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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
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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
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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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Li0.66 Mn1.34 N
 
Niewa R, DiSalvo F, Yang D, Zax D, Luo H, Yelon W
 
Journal of Alloys and Compounds 266 (1998) 32-38
Synthesis, crystal structure and properties of a lithium manganese
nitride, (Li, Mn)2 N
_cod_database_code 1005047
_database_code_amcsd 0012807
4.68578 4.68578 2.97762 90 90 90 P4_2/mnm
atom     x     y z occ
N1       0     0 0
Mn1  .2989 .2989 0 .67
Li1  .2989 .2989 0 .33
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Li0.86 Mn1.14 N
 
Niewa R, DiSalvo F, Yang D, Zax D, Luo H, Yelon W
 
Journal of Alloys and Compounds 266 (1998) 32-38
Synthesis, crystal structure and properties of a lithium manganese
nitride, (Li, Mn)2 N
_cod_database_code 1005048
_database_code_amcsd 0012808
4.69795 4.69795 2.96053 90 90 90 P4_2/mnm
atom     x     y z  occ
N1       0     0 0
Mn1  .2971 .2971 0 .571
Li1  .2971 .2971 0 .429
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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
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Ba Cu N
 
Niewa R, DiSalvo F
 
Journal of Alloys and Compounds 279 (1998) 153-160
Breaking up chains: the nitridocuprates(I) Ba(CuN), Ba16((CuN)8)(Cu2N3)(Cu3N4)
and Ca4Ba(CuN2)2
_cod_database_code 1005050
_database_code_amcsd 0012818
14.462 5.5700 9.478 90 102.960 90 C2/c
atom      x     y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1  .33098 .2637 .37120  .0070  .0110  .0081  .0001  .0042 -.0006
Ba2       0 .2802    .25  .0073  .0105  .0076      0  .0027      0
Cu1   .4266 .2651  .0606   .005  .0104   .012 -.0014  .0051  .0017
Cu2     .25   .25      0   .003   .011   .010  .0007  .0034  .0021
N1    .3416  .039   .109   .008   .011   .018  -.001   .008   .001
N2        0     0      0   .015   .014   .019   .002   .009  -.002
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Ba16 Cu13 N15
 
Niewa R, DiSalvo F
 
Journal of Alloys and Compounds 279 (1998) 153-160
Breaking up chains: the nitridocuprates(I) Ba(CuN), Ba16((CuN)8)(Cu2N3)(Cu3N4)
and Ca4Ba(CuN2)2
_cod_database_code 1005051
_database_code_amcsd 0012819
9.5611 7.2731 13.5225 90 93.115 90 P2_1/c
atom     x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1  .0967 .4785 .2138       .015   .027   .156 -.0080  -.021   .054
Ba2  .2490 .0214 .1684       .023   .004   .018  .0007  .0054 -.0003
Ba3  .4107 .3124 .4122       .016   .008   .011  .0004 -.0052  .0024
Ba4  .7677 .3380 .0447       .020   .063   .014  -.007 -.0063  -.012
N1    .029  .218  .079  .5
N2    .152  .141  .335
N3    .332  .648  .144
N4    .497  .186  .101
Cu1  .4218 .4167 .1284       .018   .005   .019   .001  -.004  -.003
Cu2  .5849 .1686 .2285       .017   .007   .010   .000  -.006   .000
Cu3  .0770  .324 .4265  .5   .015   .035   .021  -.003  -.004  -.015
Cu4  .0869 .1972 .4570  .5   .018   .012   .018   .002  -.002  -.004
Cu5      0     0     0  .5   .028   .017   .018  -.007  -.006   .004
N5       0     0     0  .5   .028   .017   .018  -.007  -.006   .004
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Ba Ca4 Cu2 N4
 
Niewa R, DiSalvo F
 
Journal of Alloys and Compounds 279 (1998) 153-160
Breaking up chains: the nitridocuprates(I) Ba(CuN), Ba16((CuN)8)(Cu2N3)(Cu3N4)
and Ca4Ba(CuN2)2
_cod_database_code 1005052
_database_code_amcsd 0012820
8.2366 8.2366 12.5731 90 90 90 *P4/ncc
.25 -.25 0
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1     .25    .25 .15455  .0075  .0075  .0183      0      0      0
Ca1   .0829  .6310 .08758  .0060  .0052  .0062 -.0011 -.0002  .0001
Cu1  .40360 .59640    .25  .0076  .0076  .0040 -.0004 -.0001 -.0001
N1    .5695  .1242  .1039   .004   .009   .006  -.001  -.002  -.001
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Mo2 O12 Y5
 
Torardi C, Fecketter C, McCarroll W, DiSalvo F
 
Journal of Solid State Chemistry 60 (1985) 332-342
Structure and properties of Y5Mo2O12 and Gd5Mo2O12: Valence
oxides with structurally equivalent molybdenum atoms
_cod_database_code 1005000
_database_code_amcsd 0013566
12.2376 5.7177 7.4835 90 108.034 90 C2/m
atom      x     y      z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mo1       0 .7183      0    .21    .43    .20      0   -.02      0
Y1   .19364     0 .36027    .25    .37    .20      0   -.07      0
Y2   .81488     0 .17640    .23    .42    .34      0    .03      0
Y3        0    .5     .5    .28    .64    .18      0   -.02      0
O1    .6630 .2544  .0818    .21    .71    .49    .03    .06   -.02
O2    .8454 .7513  .4245     .5     .4     .4     .1     .0     .1
O3    .5002     0  .7971     .7     .8     .3      0     .2      0
O4    .0006     0  .1816     .3     .6     .2      0     .1      0
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Mo2 O12 Y5
 
Torardi C, Fecketter C, McCarroll W, DiSalvo F
 
Journal of Solid State Chemistry 60 (1985) 332-342
Structure and Properties of Y5Mo2O12 and Gd5Mo2O12: Mixed
Valence Oxides with Structurally Equivalent Molybdenum Atoms
_cod_database_code 1005059
_database_code_amcsd 0013567
12.2376 5.7177 7.4835 90 108.034 90 C2/m
atom      x     y      z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mo1       0 .7183      0    .21    .43    .20      0   -.02      0
Y1   .19364     0 .36027    .25    .37    .20      0   -.07      0
Y2   .81488     0 .17640    .23    .42    .34      0    .03      0
Y3        0    .5     .5    .28    .64    .18      0   -.02      0
O1    .6630 .2544  .0818    .21    .71    .49    .03    .06   -.02
O2    .8454 .7513  .4245     .5     .4     .4     .1     .0     .1
O3    .5002     0  .7971     .7     .8     .3      0     .2      0
O4    .0006     0  .1816     .3     .6     .2      0     .1      0
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Al0.67 La3 Mo4.33 O14
 
McCarroll W, Podejko K, Cheetham A, Thomas D, DiSalvo F
 
Journal of Solid State Chemistry 62 (1986) 241-252
The crystal structure of La3 Mo4.33 Al.67 O14 and the electronic
structure of La3 Mo4 X O14 (X=Si, Mo1/3 Al2/3; Al1/2 V1/2)
_cod_database_code 1005018
_database_code_amcsd 0013577
17.750 5.6600 11.070 90 90 90 Pnma
atom      x      y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
La1  .33565    .25 .13199       .0058  .0091  .0052      0 -.0001      0
La2  .34657    .25 .49908       .0071  .0099  .0062      0 -.0002      0
La3  .53414    .25 .69746       .0044  .0148  .0215      0  .0006      0
Mo1  .33906 .02356 .82069       .0037  .0052  .0050  .0004  .0004 -.0007
Mo2  .21638    .25 .86281       .0034  .0064  .0049      0 -.0001      0
Mo3  .50834  .2219 .00788   .5  .0044  .0075  .0076      0  .0005      0
Mo4   .0548    .25  .0968 .308  .0316  .0124  .0134      0 -.0019      0
Al1   .0662    .25  .1114 .692  .0316  .0124  .0134      0 -.0019      0
O1   -.0246    .25  .0549
O2    .1318    .25  .9949   .7
O3    .0850 -.0149  .1859  .35
O4    .2890    .75  .7446
O5   -.2206    .25  .7918
O6    .1526 -.0001  .8023
O7   -.2709  .5070  .0339
O8   -.0999    .75  .5994
O9    .0446  .0010  .6112
O10   .0946    .75  .4096
O11  -.0304    .25  .0120
O12   .1241    .25  .9792   .3
O13   .0809 -.0084  .1812  .15
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La2 Mo2 O7
 
Moini A, Subramanian M, Clearfield A, DiSalvo F, McCarroll W
 
Journal of Solid State Chemistry 66 (1987) 136-143
Structure and properties of La2 Mo2 O7: A quasi-twodimensional metallic
oxide with strong Mo-Mo bonds
_cod_database_code 1005043
_database_code_amcsd 0013591
6.034 12.236 3.888 90 90 90 Pnnm
atom     x      y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
La1  .4097  .3451 0    .35    .37    .32   -.15      0      0
Mo1  .3186 .04748 0    .13    .10    .22    .01      0      0
O1       0      0 0    1.4     .7     .6     .3      0      0
O2    .158  .1981 0     .3     .7    1.0     .4      0      0
O3    .376  .8843 0     .5     .7     .3     .1      0      0
O4    .208  .5473 0    1.0    1.3     .4    -.9      0      0
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Ca N Ni
 
Chern M, Disalvo F
 
Journal of Solid State Chemistry 88 (1990) 459-464
Synthesis, structure, electric and magnetic properties of CaNiN
_cod_database_code 1005001
_database_code_amcsd 0013682
3.5809 3.5809 7.0096 90 90 90 P4_2/mmc
atom  x  y   z
Ca1   0  0 .25
Ni1  .5 .5   0
N1    0 .5   0
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Ca2 N2 Zn
 
Chern M, DiSalvo F
 
Journal of Solid State Chemistry 88 (1990) 528-533
Synthesis, structure and properties of Ca2ZnN2
_cod_database_code 1005002
_database_code_amcsd 0013683
3.5835 3.5835 12.6583 90 90 90 I4/mmm
atom x y     z
Zn1  0 0     0
Ca1  0 0  .336
N1   0 0 .1455
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As Ca3 N
 
Chern M, DiSalvo F, Parise J, Goldstone J
 
Journal of Solid State Chemistry 96 (1992) 426-435
The structural distorsion of the anti-perovskite nitride Ca3AsN
_cod_database_code 1005008
_database_code_amcsd 0013727
6.7159 6.7110 9.5198 90 90 90 Pbnm
atom     x     y     z
Ca1  .7171 .2821 .0209
Ca2  .0404 .4942   .25
N1      .5     0     0
As1      0 .0168   .25
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As Ca3 N
 
Chern M, DiSalvo F, Parise J, Goldstone J
 
Journal of Solid State Chemistry 96 (1992) 426-435
The structural distorsion of the anti-perovskite nitride Ca3AsN
_cod_database_code 1005009
_database_code_amcsd 0013728
6.7250 6.7198 9.5335 90 90 90 Pbnm
atom     x     y     z
Ca1   .721  .279 .0171
Ca2  .0346 .4943   .25
N1      .5     0     0
As1      0 .0100   .25
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As Ca3 N
 
Chern M, DiSalvo F, Parise J, Goldstone J
 
Journal of Solid State Chemistry 96 (1992) 426-435
The structural distorsion of the anti-perovskite nitride Ca3 As N
_cod_database_code 1005054
_database_code_amcsd 0013729
6.7301 6.7246 9.5402 90 90 90 Pbnm
atom     x     y     z
Ca1  .7211 .2821 .0174
Ca2  .0310 .4947   .25
N1      .5     0     0
As1      0 .0108   .25
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Ca3 N3 V
 
Vennos D, DiSalvo F
 
Journal of Solid State Chemistry 98 (1992) 318-322
Synthesis and characterization of a new ternary nitride, Ca3 V N3
_cod_database_code 1005057
_database_code_amcsd 0013737
6.717 5.064 6.720 90 78.88 90 P2_1/m
atom     x   y     z
V1   .8028 .25 .3028
Ca1  .3915 .25 .8915
Ca2  .9021 .25 .8297
Ca3  .3298 .25 .4022
N1   .6268 .25 .1271
N2    .318 .75 .4315
N3   .9317 .75 .8159
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Fe1.25 Ta Te3
 
Badding M, Li J, DiSalvo F, Zhou W, Edwards P
 
Journal of Solid State Chemistry 100 (1992) 313-324
Characterization of TaFe1.25Te3, a new layered telluride with an
unusual metal network structure
_cod_database_code 1005007
_database_code_amcsd 0013751
7.436 3.638 10.008 90 109.17 90 P2_1/m
atom     x   y      z occ
Ta1  .8340 .25  .3007
Fe1  .6147 .75  .0890
Fe2  .7686 .25 -.0047 .25
Te1  .4392 .25  .1860
Te2  .9835 .75  .1589
Te3  .2179 .25  .4970
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Ca3 N3 V
 
Vennos D, DiSalvo F
 
Journal of Solid State Chemistry 100 (1992) 401-401
Synthesis and characterization of a new ternary nitride, Ca3VN3
_cod_database_code 1005013
_database_code_amcsd 0013752
8.544 10.38 5.064 90 90 90 Cmcm
atom     x     y   z
V1       0 .3028 .25
N1       0  .127 .25
N2   .8079 .3747 .25
Ca1      0 .1085 .75
Ca2  .2139 .3841 .75
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N Na3 O3 W
 
Elder S, DiSalvo F, Parise J, Hriljac J, Richardsen J
 
Journal of Solid State Chemistry 108 (1994) 73-79
The synthesis and structural characterization of Na3WO3N
_cod_database_code 1005014
_database_code_amcsd 0013790
7.2481 6.2728 5.6493 90 90 90 Pmn2_1
atom     x     y     z occ
W1       0  .828     0
Na1     .5  .842 .9800
Na2  .2456 .3326 .9758
O1       0 .1021 .8960 .75
N1       0 .1021 .8960 .25
O2      .5 .1752 .8139 .75
N2      .5 .1752 .8139 .25
O3   .2054 .6919 .8988 .75
N3   .2054 .6919 .8988 .25
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Ba Co S2
 
Snyder G, Gelabert M, DiSalvo F
 
Journal of Solid State Chemistry 113 (1994) 355-361
Refined structure and properties of the layered Mott insulator Ba Co S2
_cod_database_code 1005016
_database_code_amcsd 0013832
6.4413 6.4926 8.9406 90 90 90 Cmma
atom   x   y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1    0 .25 .1981   .019   .011   .013      0      0      0
Co1    0 .25 .5932   .023   .016   .014      0      0      0
S1     0 .25 .8496   .021   .009   .011      0      0      0
S2   .25  .5    .5   .013   .062   .017      0      0      0
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N2 Sr2 Zn
 
Yamane H, DiSalvo F
 
Journal of Solid State Chemistry 119 (1995) 375-379
Synthesis and crystal structure of Sr2 Zn N2 and Ba2 Zn N2
_cod_database_code 1005019
_database_code_amcsd 0013874
3.8568 3.8568 12.935 90 90 90 I4/mmm
atom x y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sr1  0 0 .3409   .007   .007   .008      0      0      0
Zn1  0 0     0   .010   .010   .006      0      0      0
N1   0 0 .1449   .010   .016   .002      0      0      0
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Ba2 N2 Zn
 
Yamane H, DiSalvo F
 
Journal of Solid State Chemistry 119 (1995) 375-379
Synthesis and crystal structure of Sr2 Zn N2 and Ba2 Zn N2
_cod_database_code 1005020
_database_code_amcsd 0013875
4.152 4.152 13.055 90 90 90 I4/mmm
atom x y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1  0 0 .3443   .012   .012   .005      0      0      0
Zn1  0 0     0   .012   .012   .003      0      0      0
N1   0 0 .1411   .016   .016   .017      0      0      0
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Ba Co S2
 
Gelabert M, Brese N, DiSalvo F, Jobic S, Deniard P, Brec R
 
Journal of Solid State Chemistry 127 (1996) 211-221
Polymorphism and superstructure in Ba Co S2-d
_cod_database_code 1005029
_database_code_amcsd 0013910
4.568 4.568 8.942 90 90 90 *P4/nmm
.25 -.25 0
atom   x   y     z
Ba1  .25 .25 .6975
Co1  .25 .25 .0933
S1   .25 .25 .3488
S2   .75 .25     0
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Ba Co S1.84
 
Gelabert M, Brese N, DiSalvo F, Jobic S, Deniard P, Brec R
 
Journal of Solid State Chemistry 127 (1996) 211-221
Polymorphism and superstructure in Ba Co S2-d
_cod_database_code 1005030
_database_code_amcsd 0013911
6.4390 6.4909 8.9379 90 90 90 Cmma
atom   x   y     z occ
Ba1    0 .25 .1973
Co1    0 .25 .5895
S1     0 .25 .8433
S2   .25  .5    .5 .84
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La6MgGe2S14
 
Gitzendanner R, Spencer C, DiSalvo F, Pell M, Ibers J
 
Journal of Solid State Chemistry 131 (1997) 399-404
Synthesis and structure of a new quaternary rare-earth sulfide, La6MgGe2S14,
and the related compound La6MgSi2S14
_cod_database_code 1005055
_database_code_amcsd 0013930
10.367 10.367 5.814 90 90 120 P6_3
atom     x     y     z occ
La1  .3578 .1256 .7424
Mg1      0     0 .4783  .5
Ge1    2/3   1/3 .3249
S1   .5211 .4133 .4741
S2   .0862 .8399 .7288
S3     2/3   1/3 .9519
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La6MgSi2S14
 
Gitzendanner R, Spencer C, DiSalvo F, Pell M, Ibers J
 
Journal of Solid State Chemistry 131 (1997) 399-404
Synthesis and structure of a new quaternary rare-earth sulfide, La6MgGe2S14,
and the related compound La6MgSi2S14
_cod_database_code 1005056
_database_code_amcsd 0013931
10.363 10.363 5.742 90 90 120 P6_3
atom     x     y     z occ
La1  .1221 .3577 .2933
Mg1      0     0 .0381  .5
Si1    1/3   2/3 .8775
S1   .4086 .5248 .0172
S2   .8371 .0822 .2822
S3     1/3   2/3 .5137
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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
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Ce2 Pd9 Sb3
 
Gordon R, DiSalvo F, Poettgen R, Brese N
 
Journal of the Chemical Society, Faraday Transactions 92 (1996) 2167-2171
Crystal structure, electric and magnetic behaviour of Ce2 Pd9 Sb3
_cod_database_code 1005044
_database_code_amcsd 0014109
13.769 8.0412 9.3482 90 90 90 Cmcm
atom      x      y      z
Ce1  .34547 .32828    .25
Pd1  .17109 .17061 .08478
Pd2       0  .3323  .5268
Pd3       0  .1457    .25
Pd4  .09840  .4582    .25
Sb1       0      0      0
Sb2  .32369      0      0
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B2 Ca9 Cl8
 
Reckeweg O, DiSalvo F, Meyer H
 
Zeitschrift fur Anorganische und Allgemeine Chemie 625 (1999) 1408-1410
An expected calcium carbido borate chloride:Ca9 Cl8 (B C2)2
_cod_database_code 1005053
_database_code_amcsd 0015818
11.6291 13.4159 12.0862 90 90 90 Cmcm
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1  .17972 .15165 .44819  .0118  .0098  .0141 -.0014  .0006 -.0027
Ca2       0 .12027    .75  .0089  .0079  .0429      0      0      0
Ca3       0 .34242 .59027  .0108  .0119  .0191      0      0  .0002
Ca4  .18485 .38088    .25  .0111  .0126  .0346  .0034      0      0
Cl1       0      0     .5  .0120  .0157  .0236      0      0  .0059
Cl2  .16034 .03767    .25  .0168  .0097  .0127 -.0028      0      0
Cl3  .65981      0     .5  .0127  .0213  .0377      0      0  .0157
Cl4       0 .27586 .37800  .0189  .0236  .0216      0      0  .0028
Cl5       0  .4877    .75  .0158  .0116  .0235      0      0      0
C1    .1696  .2328  .6313   .008   .008   .013  -.001   .001   .002
B1    .3328  .2499    .25   .006   .008   .016   .005      0      0
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Ce8 Pd24 Sb
 
Gordon R, DiSalvo F
 
Zeitschrift fur Naturforschung B51 (1996) 52-56
Crystal structure and magnetic susceptibility of Ce8 Pd24 Sb
_cod_database_code 1005033
_database_code_amcsd 0015849
8.461 8.461 8.461 90 90 90 Pm3m
atom      x      y      z
Ce1  .25140 .25140 .25140
Pd1  .25552     .5     .5
Pd2  .31118      0      0
Pd3  .26675     .5      0
Sb1       0      0      0
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Ce2 Mn N3
 
Niewa R, Vajenine G, DiSalvo F, Haihua L, Yelon W
 
Zeitschrift fur Naturforschung B53 (1998) 63-74
Unusual Bonding in ternary nitrides: Preparation, structure and
properties of Ce2 Mn N3
_cod_database_code 1005058
_database_code_amcsd 0015850
3.74994 3.44450 12.4601 90 90 90 Immm
atom x  y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ce1  0  0 .35332  .0191  .0256  .0269      0      0      0
Mn1  0  0      0   .022   .027   .034      0      0      0
N1   0 .5     .5   .023   .028   .013      0      0      0
N2   0  0  .1638   .013   .016   .028      0      0      0
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