American Mineralogist Crystal Structure Database

16 matching records for this search.

Al B5 Li2 O10
 
He M, Li H, Chen X, Xu Y, Xu T
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=57&spage=1010
Acta Crystallographica C57 (2001) 1010-1011
A structural study of LiAlB5O10
_cod_database_code 1100061
_database_code_amcsd 0018241
7.0402 14.9404 7.0433 90 90.7020 90 P2_1/c
atom       x      y       z
Li1   .10330 .17197 -.00053
Li2   .30626 .57076  .08541
Al    .14974 .37577  .03729
B1   -.20982 .27914 -.02048
B2    .20154 .47201  .40124
B3    .24323 .49977 -.26461
B4    .45556 .24680  .00024
B5    .67924 .12016 -.00738
O1   -.07948 .34515 -.03203
O2    .27404 .27577  .01353
O3    .14951 .40908  .27338
O4    .24280 .46799 -.08301
O5    .28242 .55170  .35823
O6    .16369 .44861  .58969
O7    .49563 .15948  .02629
O8   -.16799 .19115  .00542
O9   -.39874 .30678 -.03956
O10   .31935 .58014 -.30375
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KCaF(CO3)
 
Chen X L, He M, Xu Y P, Li H Q, Tu Q Y
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=60&spage=50
Acta Crystallographica E60 (2004) i50-i51
KCaF(CO3) from X-ray powder data
_database_code_amcsd 0010426
5.10093 5.10093 4.45510 90 90 120 P-6m2
atom     x     y  z   Uiso
K        0     0  0  .0126
Ca     1/3   2/3 .5  .0100
C      2/3   1/3 .5   .018
O    .8120 .1880 .5  .0129
F      1/3   2/3  0 .01960
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MgCNi3
 
Wei Z, Chen X, Che G, Wang F, Jiang P, Li W, He M
 
Chinese Physics Letters 19 (2002) 249-251
Debye temperature of the  MgCNi3 superconductor
_cod_database_code 1100063
_database_code_amcsd 0018242
3.8089 3.8089 3.8089 90 90 90 Pm-3m
atom  x  y  z
Mg    0  0  0
C    .5 .5 .5
Ni    0 .5 .5
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B2 O6 Sr
 
Wei Z, Chen X, Wang F, Li W, He M, Zhang Y
 
Journal of Alloys and Compounds 327 (2001) 10-13
Phase relations in the ternary system SrO-TiO2-B2O3
_cod_database_code 1100067
_database_code_amcsd 0018245
9.0429 9.0429 12.5664 90 90 120 R-3c
atom     x     y     z
Sr   .3551     0   .25
B        0     0 .1146
O    .1588 .0107 .1148
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B5 Ca3 La3 O15
 
Zhang Y, Liang J, Chen X, He M, Xu T
 
Journal of Alloys and Compounds 327 (2001) 96-99
A structural study of Ca3La3(BO3)5
_cod_database_code 1100055
_database_code_amcsd 0018238
10.5319 10.5319 6.4077 90 90 120 P6_3mc
atom     x      y      z
B1       0      0  .7520
B2     1/3    2/3  .3933
B3   .8033 -.8033  .4614
Ca1  .5271 -.5271  .2366
La1  .8440 -.8440 -.0826
O1   .3738  .0668  .5516
O2   .9269 -.9269  .2566
O3   .4087 -.4087  .3993
O4   .7750 -.7750 -.2691
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Al2 B2 Na2 O7
 
He M, Chen X, Zhou T, Hu B, Xu Y, Xu T
 
Journal of Alloys and Compounds 327 (2001) 210-214
Crystal structureand infrared spectra of Li2Al2B2O7
_cod_database_code 1100047
_database_code_amcsd 0018235
4.8113 4.8113 15.2781 90 90 120 P-31c
atom     x     y     z
Al     1/3   2/3 .6374
B1     1/3   2/3 .0978
Na1      0     0     0
Na2      0     0   .25
O1   .9704 .6087 .8916
O2   .6666   1/3   .25
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Al2 B2 Na2 O7
 
He M, Chen X, Zhou T, Hu B, Xu Y, Xu T
 
Journal of Alloys and Compounds 327 (2001) 210-214
Crystal structureand infrared spectra of Li2Al2B2O7
_cod_database_code 1100064
_database_code_amcsd 0018243
4.8113 4.8113 15.2781 90 90 120 P-31c
atom     x     y     z
Al     1/3   2/3 .6374
B1     1/3   2/3 .0978
Na1      0     0     0
Na2      0     0   .25
O1   .9704 .6087 .8916
O2   .6666   1/3   .25
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B Ca Ga O4
 
Yang Z, Liang J, Chen X, Xu T, Xu Y
 
Journal of Alloys and Compounds 327 (2001) 215-219
Synthesis and crystal structure of a new compound CaGaBO4
_cod_database_code 1100046
_database_code_amcsd 0018234
15.473 8.2940 5.8392 90 90 90 Ccc2
atom     x     y     z
B     .405  .728  .357
Ca   .4110 .8560 -.102
Ga   .2949 .4869  .141
O1   .2365 .4666  .398
O2   .4412 .8743  .318
O3   .3685 .6733  .155
O4   .3753 .6933  .567
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B Ca Ga O4
 
Yang Z, Liang J, Chen X, Xu T, Xu Y
 
Journal of Alloys and Compounds 327 (2001) 215-219
Synthesis and crystal structure of a new compound CaGaBO4
_cod_database_code 1100056
_database_code_amcsd 0018239
15.473 8.2940 5.8392 90 90 90 Ccc2
atom     x     y     z
B     .405  .728  .357
Ca   .4110 .8560 -.102
Ga   .2949 .4869  .141
O1   .2365 .4666  .398
O2   .4412 .8743  .318
O3   .3685 .6733  .155
O4   .3753 .6933  .567
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B2 Na3 O6 Y
 
Zhang Y, Chen X, Liang J, Xu T
 
Journal of Alloys and Compounds 333 (2002) 72-75
Synthesis and structural study of new rarte earth sodium
borates of Na3Ln(BO2)3(Ln=Y,Gd)
_cod_database_code 1100065
_database_code_amcsd 0018244
6.5050 8.5172 12.0213 90 118.72 90 P2_1/c
atom     x     y     z
B1   .1536 .4464 .3739
B2   .3651 .5901 .1394
Na1  .4027 .7955 .3763
Na2  .0671 .2919 .0720
Na3  .3352 .9472 .1138
O1   .2687 .3359 .4791
O2   .0539 .3791 .2552
O3   .1420 .5967 .3961
O4   .2578 .6913 .1785
O5   .2629 .5059 .0227
O6   .3999 .0772 .3074
Y    .0982 .1266 .3294
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Kuramite
Download hom/kuramite.pdf
Chen X, Wada H, Sato A, Mieno M
 
Journal of Solid State Chemistry 139 (1998) 144-151
Synthesis, electrical conductivity, and crystal structure of Cu4Sn7S16 and
structure refinement of Cu2SnS3
Locality: synthetic
_database_code_amcsd 0013950
5.413 5.413 10.824 90 90 90 I-42m
atom     x     y     z   occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu       0     0     0  .375   .020   .020   .024      0      0      0
CuM1     0    .5   .25 .2115   .019   .019   .018      0      0      0
SnM1     0    .5   .25 .1635   .019   .019   .018      0      0      0
SnM2     0     0    .5 .1736   .018   .018   .021      0      0      0
CuM2     0     0    .5 .2014   .018   .018   .021      0      0      0
S    .2461 .2461 .1231  .375   .015   .015   .015  -.001  -.001  -.001
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Cu4Sn7S16
 
Chen X, Wada H, Sato A, Mieno M
 
Journal of Solid State Chemistry 139 (1998) 144-151
Synthesis, electrical conductivity, and crystal structure of Cu4Sn7S16 and
structure refinement of Cu2SnS3
_database_code_amcsd 0013951
7.372 7.372 36.0100 90 90 120 R-3m
atom     x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu1      0     0 .1884  .5   .017   .017  .014    .009      0      0
Cu2      0     0 .2945       .013   .013  .090    .006      0      0
Cu3      0     0     0       .074   .074  .014    .037      0      0
Sn1  .5017 .4983 .2513       .011   .011  .013    .006  -.001   .001
Sn2      0     0    .5       .013   .013  .008    .007      0      0
S1   .4937 .5063 .1244       .010   .010  .009    .006   .000   .000
S2   .5074 .4926 .3760       .010   .010  .012    .005  -.001   .001
S3       0     0 .1239       .011   .011  .009    .006      0      0
S4       0     0 .3756       .010   .010  .010    .005      0      0
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Al B2 Li3 O6
 
He M, Chen X, Gramlich V, Baerlocher C, Zhou T, Hu B
 
Journal of Solid State Chemistry 163 (2002) 369-376
Synthesis,structure, and thermal stability of Li3AlB2O6
_cod_database_code 1100060
_database_code_amcsd 0018240
4.876 6.191 7.910 74.46 89.44 89.52 P-1
atom      x     y      z
Al    .1506 .5504 -.7279
B1    -.161  .822  -.569
B2     .667  .672  -.910
O1    .1131 .7567 -.6043
O2   -.2896 .9963 -.6838
O3   -.2766 .6988 -.4084
O4    .3818 .6669 -.8933
O5    .8141 .5089 -.7856
O6    .7881 .8401 -.0350
Li1   -.347  .264  -.597
Li2   -.167  .117  -.932
Li3    .680  .954  -.255
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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
Ab intio structure determination of a new compound,
beta-SrGaBO4,from powder diffraction data
_cod_database_code 1100052
_database_code_amcsd 0018236
15.3706 8.9921 5.9191 90 90 90 P2_12_12
atom     x      y     z
Sr1  .1218 -.0716 .5001
Sr2  .5220  .2863 .0076
Ga1  .3498  .0341 .7571
Ga2  .3412  .0428 .2499
O1   .0981 -.0364 -.003
O2   .4015 -.1264  .272
O3   .3671  .1505 .5041
O4   .5941  .1461  .683
O5   .2323 -.0386  .198
O6   .2278 -.0007  .795
O7   .3950  .1300 .0080
O8   .0306  .1794  .478
B1   .1850 -.0317 .0050
B2   .0850  .2950 .5300
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Erazoite
 
Chen X a, Wada H, Sato A
 
Materials Research Bulletin 34 (1999) 239-247
Preparation, crystal structure and electrical properties of Cu4SnS6
Locality: Synthetic
_database_code_amcsd 0020419
3.739 3.739 32.941 90 90 120 R-3m
atom x y     z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sn   0 0     0 .661 .009   .008   .008   .011   .004      0      0
Cu1  0 0 .0407 .326 .016   .013   .013   .020   .007      0      0
Cu2  0 0 .2204      .015   .016   .016   .014   .008      0      0
S1   0 0 .2896      .012   .014   .014   .009   .007      0      0
S2   0 0 .4686      .011   .011   .011   .011   .006      0      0
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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
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Total number of retrieved datasets: 16
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