|
N5 Ta3 |
| |
Brese N, O'Keefe M, Rauch P, DiSalvo F |
 |
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 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Li7 N4 Nb |
| |
Vennos D, DiSalvo F |
|
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 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba3 Ga2 N4 |
| |
Yamane H, DiSalvo F |
|
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 |
|
|
| Download AMC data (View Text File)
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|
| |
|
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)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ce8 Pd24 Sb |
| |
Gordon R, DiSalvo F |
| |
Zeitschrift fur Naturforschung, Teil B. Anorganische Chemie, 51 (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 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ce2 Mn N3 |
| |
Niewa R, Vajenine G, DiSalvo F, Haihua L, Yelon W |
| |
Zeitschrift fur Naturforschung, Teil B. Anorganische Chemie, 53 (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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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