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Al B5 Li2 O10 |
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He M, Li H, Chen X, Xu Y, Xu T |
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Acta Crystallographica C57 (2001) 1010-1011 |
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A structural study of LiAlB5O10 |
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_cod_database_code 1100061 |
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_database_code_amcsd 0018241 |
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7.0402 14.9404 7.0433 90 90.7020 90 P2_1/c |
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atom x y z |
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Li1 .10330 .17197 -.00053 |
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Li2 .30626 .57076 .08541 |
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Al .14974 .37577 .03729 |
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B1 -.20982 .27914 -.02048 |
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B2 .20154 .47201 .40124 |
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B3 .24323 .49977 -.26461 |
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B4 .45556 .24680 .00024 |
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B5 .67924 .12016 -.00738 |
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O1 -.07948 .34515 -.03203 |
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O2 .27404 .27577 .01353 |
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O3 .14951 .40908 .27338 |
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O4 .24280 .46799 -.08301 |
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O5 .28242 .55170 .35823 |
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O6 .16369 .44861 .58969 |
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O7 .49563 .15948 .02629 |
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O8 -.16799 .19115 .00542 |
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O9 -.39874 .30678 -.03956 |
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O10 .31935 .58014 -.30375 |
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KCaF(CO3) |
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Chen X L, He M, Xu Y P, Li H Q, Tu Q Y |
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Acta Crystallographica E60 (2004) i50-i51 |
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KCaF(CO3) from X-ray powder data |
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_database_code_amcsd 0010426 |
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5.10093 5.10093 4.45510 90 90 120 P-6m2 |
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atom x y z Uiso |
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K 0 0 0 .0126 |
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Ca 1/3 2/3 .5 .0100 |
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C 2/3 1/3 .5 .018 |
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O .8120 .1880 .5 .0129 |
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F 1/3 2/3 0 .01960 |
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| Download AMC data (View Text File)
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| |
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MgCNi3 |
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Wei Z, Chen X, Che G, Wang F, Jiang P, Li W, He M |
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Chinese Physics Letters 19 (2002) 249-251 |
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Debye temperature of the MgCNi3 superconductor |
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_cod_database_code 1100063 |
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_database_code_amcsd 0018242 |
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3.8089 3.8089 3.8089 90 90 90 Pm-3m |
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atom x y z |
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Mg 0 0 0 |
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C .5 .5 .5 |
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Ni 0 .5 .5 |
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B2 O6 Sr |
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Wei Z, Chen X, Wang F, Li W, He M, Zhang Y |
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Journal of Alloys and Compounds 327 (2001) 10-13 |
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Phase relations in the ternary system SrO-TiO2-B2O3 |
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_cod_database_code 1100067 |
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_database_code_amcsd 0018245 |
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9.0429 9.0429 12.5664 90 90 120 R-3c |
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atom x y z |
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Sr .3551 0 .25 |
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B 0 0 .1146 |
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O .1588 .0107 .1148 |
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B5 Ca3 La3 O15 |
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Zhang Y, Liang J, Chen X, He M, Xu T |
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Journal of Alloys and Compounds 327 (2001) 96-99 |
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A structural study of Ca3La3(BO3)5 |
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_cod_database_code 1100055 |
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_database_code_amcsd 0018238 |
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10.5319 10.5319 6.4077 90 90 120 P6_3mc |
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atom x y z |
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B1 0 0 .7520 |
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B2 1/3 2/3 .3933 |
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B3 .8033 -.8033 .4614 |
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Ca1 .5271 -.5271 .2366 |
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La1 .8440 -.8440 -.0826 |
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O1 .3738 .0668 .5516 |
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O2 .9269 -.9269 .2566 |
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O3 .4087 -.4087 .3993 |
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O4 .7750 -.7750 -.2691 |
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|
| Download AMC data (View Text File)
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Al2 B2 Na2 O7 |
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He M, Chen X, Zhou T, Hu B, Xu Y, Xu T |
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Journal of Alloys and Compounds 327 (2001) 210-214 |
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Crystal structureand infrared spectra of Li2Al2B2O7 |
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_cod_database_code 1100047 |
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_database_code_amcsd 0018235 |
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4.8113 4.8113 15.2781 90 90 120 P-31c |
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atom x y z |
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Al 1/3 2/3 .6374 |
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B1 1/3 2/3 .0978 |
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Na1 0 0 0 |
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Na2 0 0 .25 |
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O1 .9704 .6087 .8916 |
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O2 .6666 1/3 .25 |
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| Download AMC data (View Text File)
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Al2 B2 Na2 O7 |
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He M, Chen X, Zhou T, Hu B, Xu Y, Xu T |
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Journal of Alloys and Compounds 327 (2001) 210-214 |
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Crystal structureand infrared spectra of Li2Al2B2O7 |
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_cod_database_code 1100064 |
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_database_code_amcsd 0018243 |
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4.8113 4.8113 15.2781 90 90 120 P-31c |
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atom x y z |
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Al 1/3 2/3 .6374 |
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B1 1/3 2/3 .0978 |
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Na1 0 0 0 |
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Na2 0 0 .25 |
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O1 .9704 .6087 .8916 |
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O2 .6666 1/3 .25 |
|
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| Download AMC data (View Text File)
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B Ca Ga O4 |
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Yang Z, Liang J, Chen X, Xu T, Xu Y |
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Journal of Alloys and Compounds 327 (2001) 215-219 |
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Synthesis and crystal structure of a new compound CaGaBO4 |
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_cod_database_code 1100046 |
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_database_code_amcsd 0018234 |
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15.473 8.2940 5.8392 90 90 90 Ccc2 |
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atom x y z |
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B .405 .728 .357 |
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Ca .4110 .8560 -.102 |
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Ga .2949 .4869 .141 |
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O1 .2365 .4666 .398 |
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O2 .4412 .8743 .318 |
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O3 .3685 .6733 .155 |
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O4 .3753 .6933 .567 |
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| Download AMC data (View Text File)
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|
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B Ca Ga O4 |
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Yang Z, Liang J, Chen X, Xu T, Xu Y |
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Journal of Alloys and Compounds 327 (2001) 215-219 |
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Synthesis and crystal structure of a new compound CaGaBO4 |
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_cod_database_code 1100056 |
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_database_code_amcsd 0018239 |
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15.473 8.2940 5.8392 90 90 90 Ccc2 |
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atom x y z |
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B .405 .728 .357 |
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Ca .4110 .8560 -.102 |
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Ga .2949 .4869 .141 |
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O1 .2365 .4666 .398 |
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O2 .4412 .8743 .318 |
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O3 .3685 .6733 .155 |
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O4 .3753 .6933 .567 |
|
|
| Download AMC data (View Text File)
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|
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B2 Na3 O6 Y |
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Zhang Y, Chen X, Liang J, Xu T |
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Journal of Alloys and Compounds 333 (2002) 72-75 |
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Synthesis and structural study of new rarte earth sodium |
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borates of Na3Ln(BO2)3(Ln=Y,Gd) |
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_cod_database_code 1100065 |
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_database_code_amcsd 0018244 |
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6.5050 8.5172 12.0213 90 118.72 90 P2_1/c |
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atom x y z |
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B1 .1536 .4464 .3739 |
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B2 .3651 .5901 .1394 |
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Na1 .4027 .7955 .3763 |
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Na2 .0671 .2919 .0720 |
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Na3 .3352 .9472 .1138 |
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O1 .2687 .3359 .4791 |
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O2 .0539 .3791 .2552 |
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O3 .1420 .5967 .3961 |
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O4 .2578 .6913 .1785 |
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O5 .2629 .5059 .0227 |
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O6 .3999 .0772 .3074 |
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Y .0982 .1266 .3294 |
|
|
| Download AMC data (View Text File)
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|
| |
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Kuramite |
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Chen X, Wada H, Sato A, Mieno M |
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Journal of Solid State Chemistry 139 (1998) 144-151 |
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Synthesis, electrical conductivity, and crystal structure of Cu4Sn7S16 and |
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structure refinement of Cu2SnS3 |
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Locality: synthetic |
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_database_code_amcsd 0013950 |
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5.413 5.413 10.824 90 90 90 I-42m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Cu 0 0 0 .375 .020 .020 .024 0 0 0 |
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CuM1 0 .5 .25 .2115 .019 .019 .018 0 0 0 |
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SnM1 0 .5 .25 .1635 .019 .019 .018 0 0 0 |
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SnM2 0 0 .5 .1736 .018 .018 .021 0 0 0 |
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CuM2 0 0 .5 .2014 .018 .018 .021 0 0 0 |
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S .2461 .2461 .1231 .375 .015 .015 .015 -.001 -.001 -.001 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Cu4Sn7S16 |
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Chen X, Wada H, Sato A, Mieno M |
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Journal of Solid State Chemistry 139 (1998) 144-151 |
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Synthesis, electrical conductivity, and crystal structure of Cu4Sn7S16 and |
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structure refinement of Cu2SnS3 |
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_database_code_amcsd 0013951 |
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7.372 7.372 36.0100 90 90 120 R-3m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Cu1 0 0 .1884 .5 .017 .017 .014 .009 0 0 |
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Cu2 0 0 .2945 .013 .013 .090 .006 0 0 |
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Cu3 0 0 0 .074 .074 .014 .037 0 0 |
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Sn1 .5017 .4983 .2513 .011 .011 .013 .006 -.001 .001 |
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Sn2 0 0 .5 .013 .013 .008 .007 0 0 |
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S1 .4937 .5063 .1244 .010 .010 .009 .006 .000 .000 |
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S2 .5074 .4926 .3760 .010 .010 .012 .005 -.001 .001 |
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S3 0 0 .1239 .011 .011 .009 .006 0 0 |
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S4 0 0 .3756 .010 .010 .010 .005 0 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Al B2 Li3 O6 |
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He M, Chen X, Gramlich V, Baerlocher C, Zhou T, Hu B |
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Journal of Solid State Chemistry 163 (2002) 369-376 |
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Synthesis,structure, and thermal stability of Li3AlB2O6 |
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_cod_database_code 1100060 |
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_database_code_amcsd 0018240 |
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4.876 6.191 7.910 74.46 89.44 89.52 P-1 |
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atom x y z |
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Al .1506 .5504 -.7279 |
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B1 -.161 .822 -.569 |
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B2 .667 .672 -.910 |
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O1 .1131 .7567 -.6043 |
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O2 -.2896 .9963 -.6838 |
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O3 -.2766 .6988 -.4084 |
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O4 .3818 .6669 -.8933 |
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O5 .8141 .5089 -.7856 |
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O6 .7881 .8401 -.0350 |
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Li1 -.347 .264 -.597 |
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Li2 -.167 .117 -.932 |
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Li3 .680 .954 -.255 |
|
|
| Download AMC data (View Text File)
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|
| |
|
B Ga O4 Sr |
| |
Yang Z, Liang J, Chen X, Chen J |
| |
Journal of Solid State Chemistry 165 (2002) 119-124 |
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Ab intio structure determination of a new compound, |
|
beta-SrGaBO4,from powder diffraction data |
|
_cod_database_code 1100052 |
|
_database_code_amcsd 0018236 |
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15.3706 8.9921 5.9191 90 90 90 P2_12_12 |
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atom x y z |
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Sr1 .1218 -.0716 .5001 |
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Sr2 .5220 .2863 .0076 |
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Ga1 .3498 .0341 .7571 |
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Ga2 .3412 .0428 .2499 |
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O1 .0981 -.0364 -.003 |
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O2 .4015 -.1264 .272 |
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O3 .3671 .1505 .5041 |
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O4 .5941 .1461 .683 |
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O5 .2323 -.0386 .198 |
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O6 .2278 -.0007 .795 |
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O7 .3950 .1300 .0080 |
|
O8 .0306 .1794 .478 |
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B1 .1850 -.0317 .0050 |
|
B2 .0850 .2950 .5300 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
B2 Ba O6 Ti |
| |
Zhang S, Wu X, Chen X, He M, Cao Y, Song Y, Ni D |
| |
Materials Research Bulletin 38 (2003) 783-788 |
|
A structural study of BaTi(BO3)2 |
|
_cod_database_code 1100054 |
|
_database_code_amcsd 0018237 |
|
5.0205 5.0205 16.3844 90 90 120 P-3 |
|
atom x y z |
|
Ba 0 0 0 |
|
Ti 0 0 .5 |
|
B 0 0 -.2342 |
|
O .3132 .1271 -.2365 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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