|
Alluaudite |
 |
Antenucci D, Miehe G, Tarte P, Schmahl W W, Fransolet A-M |
| |
European Journal of Mineralogy 5 (1993) 207-213 |
|
Combined X-ray Rietveld, infrared and Raman study of a new synthetic |
|
variety of alluaudite, NaCdIn2(PO4)3 |
|
_database_code_amcsd 0006478 |
|
12.519 12.959 6.575 90 115.17 90 C2/c |
|
atom x y z Biso |
|
NaX1 1/2 0 0 3.5 |
|
CdM1 0 .2619 1/4 2.1 |
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InM2 .2802 .6498 .3689 2.0 |
|
P1 0 -.2875 1/4 2.1 |
|
P2 .2441 -.1094 .137 2.5 |
|
O1 .453 .717 .540 1.7 |
|
O2 .093 .640 .235 2.6 |
|
O3 .331 .663 .098 2.5 |
|
O4 .123 .401 .317 3.0 |
|
O5 .227 .819 .316 1.1 |
|
O6 .305 .498 .354 3.0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Alluaudite |
|
Antenucci D, Fransolet A M, Miehe G, Tarte P |
| |
European Journal of Mineralogy 7 (1995) 175-181 |
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Synthese et cristallochimie de NaCaCdMg2(PO4)3, |
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Phosphate nouveau a structure alluaudite sans cation trivalent |
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Note: P2 y-coordinate changed to reproduce bond lengths |
|
_database_code_amcsd 0006583 |
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12.005 12.675 6.546 90 114.55 90 C2/c |
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atom x y z occ Biso |
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NaX1 1/2 0 0 .474 2.8 |
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CdX1 1/2 0 0 .526 2.8 |
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NaX2 0 -.0305 1/4 .60 2.1 |
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CaX2 0 -.0305 1/4 .40 2.1 |
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CdM1 0 .2649 1/4 .420 1.7 |
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CaM1 0 .2649 1/4 .580 1.7 |
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MgM2 .2764 .6580 .363 1.3 |
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P1 0 -.2806 1/4 2.3 |
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P2 .2335 -.1036 .1296 1.0 |
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O1 .4526 .7100 .542 1.9 |
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O2 .095 .6454 .225 1.9 |
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O3 .329 .6619 .098 1.9 |
|
O4 .127 .4123 .321 1.9 |
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O5 .229 .8300 .317 1.9 |
|
O6 .333 .499 .391 1.9 |
|
|
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|
| |
|
LiFeSnO4 |
| |
Choisnet J, Hervieu M, Raveau B, Tarte P |
| |
Journal of Solid State Chemistry 40 (1981) 344-351 |
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Two Polymorphous Lithium Stannoferrites LiFeSnO4: A Ramsdellite- |
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Type and a Hexagonal Close-Packed Structure |
|
_cod_database_code 1001219 |
|
_database_code_amcsd 0013458 |
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3.066 5.066 9.874 90 90 90 Pmcn |
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atom x y z occ |
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Li1 .25 .86 .44 .25 |
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Li2 .25 .97 .57 .25 |
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Fe1 .25 .981 .1418 .5 |
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Sn1 .25 .981 .1418 .5 |
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O1 .25 .687 .284 |
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O2 .25 .212 -.040 |
|
|
| Download AMC data (View Text File)
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|
| |
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Fe Li O4 Sn |
| |
Choisnet J, Hervieu M, Raveau B, Tarte P |
| |
Journal of Solid State Chemistry 40 (1981) 344-351 |
|
Two Polymorphous Lithium Stannoferrites Li Fe Sn O4: A Ramsdellite- |
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Type and a Hexagonal Close-Packed Structure |
|
_cod_database_code 1001220 |
|
_database_code_amcsd 0013459 |
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6.012 6.012 9.776 90 90 120 P6_3mc |
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atom x y z occ |
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Sn1 1/3 2/3 .497 |
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Li1 1/6 -1/6 .214 .146 |
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Fe1 1/6 -1/6 .214 .52 |
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Sn2 1/6 -1/6 .214 .333 |
|
Li2 1/3 2/3 -.082 .56 |
|
Fe2 1/3 2/3 -.082 .44 |
|
Li3 0 0 .51 |
|
O1 0 0 .325 |
|
O2 1/3 2/3 .107 |
|
O3 .481 -.481 .342 |
|
O4 .160 -.160 .612 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Al Cr2 Li2 O8 Sb |
| |
Tarte P, Cahay R, Preudhomme J, Hervieu M, Choisnet J, Raveau B |
| |
Journal of Solid State Chemistry 44 (1982) 282-289 |
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Hexagonal-spinel transitions in antimonates Li2Cr(3-x)M(III)xSbO8 |
|
_cod_database_code 1001227 |
|
_database_code_amcsd 0013487 |
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5.796 5.796 9.466 90 90 120 P6_3mc |
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atom x y z occ |
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Li1 1/3 2/3 -.116 |
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Li2 0 0 .512 |
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Cr1 .1724 -.1724 .2151 .6667 |
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Al1 .1724 -.1724 .2151 .3333 |
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Sb1 1/3 2/3 .4910 |
|
O1 0 0 .302 |
|
O2 1/3 2/3 .090 |
|
O3 .482 -.482 .346 |
|
O4 .165 -.165 .596 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Al2 Cr Li2 O8 Sb |
| |
Tarte P, Cahay R, Preudhomme J, Hervieu M, Choisnet J, Raveau B |
| |
Journal of Solid State Chemistry 44 (1982) 282-289 |
|
Hexagonal-spinel transitions in antimonates Li2Cr(3-x)M(III)xSbO8 |
|
_cod_database_code 1001228 |
|
_database_code_amcsd 0013488 |
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5.703 5.703 9.392 90 90 120 P6_3mc |
|
atom x y z occ |
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Li1 1/3 2/3 -.076 |
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Li2 0 0 .555 |
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Cr1 .1660 -.1660 .2503 .3333 |
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Al1 .1660 -.1660 .2503 .6667 |
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Sb1 1/3 2/3 .5202 |
|
O1 0 0 .338 |
|
O2 1/3 2/3 .165 |
|
O3 .490 -.490 .389 |
|
O4 .171 -.171 .652 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cr2 Fe Li2 O8 Sb |
| |
Tarte P, Cahay R, Preudhomme J, Hervieu M, Choisnet J, Raveau B |
| |
Journal of Solid State Chemistry 44 (1982) 282-289 |
|
Hexagonal-spinel transitions in antimonates Li2Cr(3-x)M(III)xSbO8 |
|
_cod_database_code 1001229 |
|
_database_code_amcsd 0013489 |
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5.867 5.867 9.542 90 90 120 P6_3mc |
|
atom x y z occ |
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Li1 1/3 2/3 -.097 |
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Li2 0 0 .523 |
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Cr1 .1710 -.1710 .2118 .6667 |
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Fe1 .1710 -.1710 .2118 .3333 |
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Sb1 1/3 2/3 .4914 |
|
O1 0 0 .310 |
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O2 1/3 2/3 .101 |
|
O3 .475 -.475 .365 |
|
O4 .171 -.171 .598 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fe3 Li2 O8 Sb |
| |
Tarte P, Cahay R, Preudhomme J, Hervieu M, Choisnet J, Raveau B |
| |
Journal of Solid State Chemistry 44 (1982) 282-289 |
|
Hexagonal-spinel transitions in antimonates Li2Cr(3-x)M(III)xSbO8 |
|
_cod_database_code 1001230 |
|
_database_code_amcsd 0013490 |
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5.923 5.923 9.641 90 90 120 P6_3mc |
|
atom x y z occ |
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Li1 1/3 2/3 -.072 .55 |
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Fe1 1/3 2/3 -.072 .45 |
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Li2 0 0 .510 .67 |
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Fe2 0 0 .510 .33 |
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Li3 .1697 -.1697 .204 .26 |
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Fe3 .1697 -.1697 .204 .63 |
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Sb1 .1697 -.1697 .204 .11 |
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Sb2 1/3 2/3 .4802 .67 |
|
Fe4 1/3 2/3 .4802 .33 |
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O1 0 0 .304 |
|
O2 1/3 2/3 .114 |
|
O3 .481 -.481 .344 |
|
O4 .180 -.180 .581 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cr2 Fe Li2 O8 Sb |
| |
Tarte P, Cahay R, Preudhomme J, Hervieu M, Choisnet J, Raveau B |
| |
Journal of Solid State Chemistry 44 (1982) 282-289 |
|
Hexagonal-spinel transitions in antimonates Li2Cr(3-x)M(III)xSbO8 |
|
_cod_database_code 1001231 |
|
_database_code_amcsd 0013491 |
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8.398 8.398 8.398 90 90 90 Fd3m |
|
atom x y z occ |
|
Li1 0 0 0 .3333 |
|
Cr1 0 0 0 .3333 |
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Fe1 0 0 0 .1667 |
|
Sb1 0 0 0 .1667 |
|
Li2 .625 .625 .625 .3333 |
|
Cr2 .625 .625 .625 .3333 |
|
Fe2 .625 .625 .625 .1667 |
|
Sb2 .625 .625 .625 .1667 |
|
O1 .384 .384 .384 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fe3 Li2 O8 Sb |
| |
Tarte P, Cahay R, Preudhomme J, Hervieu M, Choisnet J, Raveau B |
| |
Journal of Solid State Chemistry 44 (1982) 282-289 |
|
Hexagonal-spinel transitions in antimonates Li2Cr(3-x)M(III)xSbO8 |
|
_cod_database_code 1001232 |
|
_database_code_amcsd 0013492 |
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8.425 8.425 8.425 90 90 90 Fd3m |
|
atom x y z occ |
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Li1 0 0 0 .3333 |
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Fe1 0 0 0 .5 |
|
Sb1 0 0 0 .1667 |
|
Li2 .625 .625 .625 .3333 |
|
Fe2 .625 .625 .625 .5 |
|
Sb2 .625 .625 .625 .1667 |
|
O1 .382 .382 .382 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Li2 O6 Te Zr |
| |
Choisnet J, Rulmont A, Tarte P |
| |
Journal of Solid State Chemistry 75 (1988) 124-135 |
|
Les tellurates mixtes Li2 Zr Te O6 et Li2 Hf Te O6: un nouveau |
|
phenomene d'ordre dans la famille corindon |
|
_cod_database_code 1001370 |
|
_database_code_amcsd 0013618 |
|
5.172 5.172 13.847 90 90 120 R3 |
|
atom x y z |
|
Li1 0 0 .29 |
|
Li2 0 0 .76 |
|
Zr1 0 0 .993 |
|
Te1 0 0 .5 |
|
O1 .049 .355 .077 |
|
O2 .652 .962 .576 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ag Mo Na O4 |
| |
Rulmont A, Tarte P, Foumakoye G, Fransolet A, Choisnet J |
| |
Journal of Solid State Chemistry 76 (1988) 18-25 |
|
The disordered Spinel Na Ag Mo O4 and Its High Temperature, Ordered |
|
Orthorhombic Polymorph |
|
_cod_database_code 1001372 |
|
_database_code_amcsd 0013621 |
|
10.384 7.1220 5.5933 90 90 90 Pnma |
|
atom x y z occ |
|
Na1 .5 .5 .5 .94 |
|
Ag1 .5 .5 .5 .06 |
|
Ag2 .1384 .25 .509 .94 |
|
Na2 .1384 .25 .509 .06 |
|
Mo1 .316 .25 .0009 |
|
O1 .3559 .25 .2965 |
|
O2 .1595 .25 -.068 |
|
O3 .3760 -.9532 -.1254 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Li2 O6 Te Ti |
| |
Choisnet J, Rulmont A, Tarte P |
| |
Journal of Solid State Chemistry 82 (1989) 272-278 |
|
Ordering phenomena in the Li Sb O3 type structure: The new mixed |
|
tellurates Li2 Ti Te O6 and Li2 Sn Te O6 |
|
_cod_database_code 1001856 |
|
_database_code_amcsd 0013666 |
|
5.072 4.903 8.402 90 90 90 Pnn2 |
|
atom x y z occ |
|
Li1 0 0 .723 |
|
Li2 0 .5 .790 |
|
Te1 0 0 .1057 .94 |
|
Ti2 0 0 .1057 .06 |
|
Te2 0 .5 .4026 .06 |
|
Ti1 0 .5 .4026 .94 |
|
O1 .166 .254 .257 |
|
O2 .669 .207 .078 |
|
O3 .829 .793 .938 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ca3 Ga2 O12 Si Sn2 |
| |
Rulmont A, Tarte P, Cartie B, Choisnet J |
| |
Journal of Solid State Chemistry 104 (1993) 165-176 |
|
Solid solutions Ca3Sn2+xSi(Ge)1-xGa2O12 (0 |
|
tetrahedral coordination of Sn^4+^ in the garnet structure |
|
_cod_database_code 1001561 |
|
_database_code_amcsd 0013773 |
|
12.485 12.485 12.485 90 90 90 Ia3d |
|
atom x y z occ |
|
Ca1 .125 0 .25 |
|
Sn1 0 0 0 |
|
Ga1 .375 0 .25 .6667 |
|
Si1 .375 0 .25 .3333 |
|
O1 .962 .05 .157 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ca3 Ga2 O12 Si0.95 Sn2.05 |
| |
Rulmont A, Tarte P, Cartie B, Choisnet J |
| |
Journal of Solid State Chemistry 104 (1993) 165-176 |
|
Solid solutions Ca3Sn2+xSi(Ge)1-xGa2O12 (0 |
|
tetrahedral coordination of Sn^4+^ in the garnet structure |
|
_cod_database_code 1001562 |
|
_database_code_amcsd 0013774 |
|
12.494 12.494 12.494 90 90 90 Ia3d |
|
atom x y z occ |
|
Ca1 .125 0 .25 |
|
Sn1 0 0 0 |
|
Ga1 .375 0 .25 .6667 |
|
Si1 .375 0 .25 .3167 |
|
Sn2 .375 0 .25 .0166 |
|
O1 .963 .049 .155 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ca3 Ga2 O12 Si0.05 Sn2.95 |
| |
Rulmont A, Tarte P, Cartie B, Choisnet J |
| |
Journal of Solid State Chemistry 104 (1993) 165-176 |
|
Solid solutions Ca3Sn2+xSi(Ge)1-xGa2O12 (0 |
|
tetrahedral coordination of Sn^4+^ in the garnet structure |
|
_cod_database_code 1001563 |
|
_database_code_amcsd 0013775 |
|
12.679 12.679 12.679 90 90 90 Ia3d |
|
atom x y z occ |
|
Ca1 .125 0 .25 |
|
Sn1 0 0 0 |
|
Ga1 .375 0 .25 .6667 |
|
Si1 .375 0 .25 .0166 |
|
Sn2 .375 0 .25 .3167 |
|
O1 .966 .048 .153 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Li2 O6 Te Zr |
| |
Archaimbault F, Choisnet J, Rulmont A, Tarte P |
| |
Materials Chemistry and Physics 30 (1992) 245-252 |
|
Lithium defect and ordering phenomena in the new LiNbO3 like mixed |
|
tellurates: Li2-x(Zr^4+^,Nb^5+^,Te^6+^)2O6 (x<0.5) |
|
_cod_database_code 1001502 |
|
_database_code_amcsd 0014204 |
|
5.172 5.172 13.847 90 90 120 R3 |
|
atom x y z |
|
Li1 0 0 .29 |
|
Li2 0 0 .76 |
|
Zr1 0 0 .993 |
|
Te1 0 0 .5 |
|
O1 .049 .355 .077 |
|
O2 .652 .962 .576 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Li2 O6 Te Zr |
| |
Archaimbault F, Choisnet J, Rulmont A, Tarte P |
| |
Materials Chemistry and Physics 30 (1992) 245-252 |
|
Lithium defect and ordering phenomena in the new LiNbO3 like mixed |
|
tellurates: Li2-x(Zr^4+^,Nb^5+^,Te^6+^)2O6 (x<0.5) |
|
_cod_database_code 1001503 |
|
_database_code_amcsd 0014205 |
|
5.1732 5.1732 13.8508 90 90 120 R3 |
|
atom x y z |
|
Li1 0 0 .286 |
|
Li2 0 0 .765 |
|
Zr1 0 0 .0002 |
|
Te1 0 0 .4942 |
|
O1 .056 .36 .071 |
|
O2 .646 .96 .577 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Li1.75 Nb0.25 O6 Te Zr0.75 |
| |
Archaimbault F, Choisnet J, Rulmont A, Tarte P |
| |
Materials Chemistry and Physics 30 (1992) 245-252 |
|
Lithium defect and ordering phenomena in the new LiNbO3 like mixed |
|
tellurates: Li2-x(Zr^4+^,Nb^5+^,Te^6+^)2O6 (x<0.5) |
|
_cod_database_code 1001504 |
|
_database_code_amcsd 0014206 |
|
5.167 5.167 13.795 90 90 120 R3 |
|
atom x y z occ |
|
Li1 0 0 .30 .95 |
|
Li2 0 0 .76 .8 |
|
Zr1 0 0 .989 .75 |
|
Nb1 0 0 .989 .25 |
|
Te1 0 0 .501 |
|
O1 .049 .351 .084 |
|
O2 .655 .962 .575 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Li1.75 Nb1.75 O6 Te0.25 |
| |
Archaimbault F, Choisnet J, Rulmont A, Tarte P |
| |
Materials Chemistry and Physics 30 (1992) 245-252 |
|
Lithium defect and ordering phenomena in the new LiNbO3 like mixed |
|
tellurates: Li2-x(Zr^4+^,Nb^5+^,Te^6+^)2O6 (x<0.5) |
|
_cod_database_code 1001505 |
|
_database_code_amcsd 0014207 |
|
5.148 5.148 13.763 90 90 120 R3c |
|
atom x y z occ |
|
Li1 0 0 .29 .875 |
|
Nb1 0 0 .984 .875 |
|
Te1 0 0 .984 .125 |
|
O1 .063 .369 .683 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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