American Mineralogist Crystal Structure Database

4 matching records for this search.

Paramelaconite
Download hom/paramelaconite.pdf
O'Keeffe M, Bovin J O
Download am/vol63/AM63_180.pdf
American Mineralogist 63 (1978) 180-185
The crystal structure of paramelaconite, Cu4O3
_database_code_amcsd 0000614
5.837 5.837 9.932 90 90 90 *I4_1/amd
0 -.25 .125
atom x   y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Cu1  0   0     0       .0066  .0093  .0021      0      0 -.0023
Cu2  0   0    .5       .0055  .0038  .0003      0      0  .0001
O1   0 .25 .1173  0.8
O2   0 .25  .375  0.7
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Sb6O7(SO4)2
 
Bovin J O
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=32&spage=1771
Acta Crystallographica B32 (1976) 1771-1777
The crystal structure of the antimony(III) oxide sulphate Sb6O7(SO4)2
_database_code_amcsd 0009569
12.073 19.023 5.876 90 90 90 Ccc2
atom      x      y      z Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Sb1  .10783 .06606      0      .00153 .00077 .00556 -.00004 -.00002 -.00051
Sb2  .68785 .06510 .11354      .00110 .00072 .00845  .00022 -.00014 -.00073
Sb3  .09265 .20691 .63163      .00192 .00075 .00523 -.00047 -.00013 -.00001
S     .3665  .1554  .1589  1.2
O1        0      0 -.1548  1.2
O2    .2423 -.0009 -.1129  1.1
O3    .8470  .1010  .1700   .9
O4    .0071  .1652  .8930  1.2
O5    .3085  .1675  .9396  3.1
O6    .2847  .1547  .3500  1.3
O7    .4456  .2124  .2011  3.7
O8    .4237  .0878  .1627  2.3
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Natisite
Download hom/natisite.pdf
Nyman H, O'Keeffe M, Bovin J O
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=34&spage=905
Acta Crystallographica B34 (1978) 905-906
Sodium titanium silicate, Na2TiSiO5
Locality: synthetic
Note: anisoU's from ICSD
_database_code_amcsd 0009628
6.480 6.480 5.107 90 90 90 P4/nmm
atom   x     y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na   .25   .25     .5  .0052  .0052  .0110 -.0008 -.0026  .0026
Ti    .5     0  .9343  .0008  .0008  .0050      0      0      0
Si     0     0      0  .0003  .0003  .0052      0      0      0
O1     0 .2071  .1831  .0023  .0023  .0079      0      0 -.0005
O2    .5     0 -.7338  .0041  .0041  .0088      0      0      0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Chestermanite
Download hom/chestermanite.pdf
Alfredsson V, Bovin J O, Norrestam R, Terasaki O
 
Acta Chemica Scandinavica 45 (1991) 797-804
The structure of the mineral chestermanite,
Mg2.25Al0.16Fe0.43Ti0.02Sb0.13O2BO3. A combined single-crystal X-ray and HREM
study
_database_code_amcsd 0011934
18.5250 12.272 3.0218 90 90 90 Pbam
atom      x     y  z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
MgM1      0     0  0 .484 .0056  .0056  .0057  .0056  .0001      0      0
AlM1      0     0  0 .034 .0056  .0056  .0057  .0056  .0001      0      0
FeM1      0    .5  0 .233 .0056  .0069  .0087  .0106 -.0014      0      0
TiM1      0    .5  0 .011 .0056  .0069  .0087  .0106 -.0014      0      0
SbM1      0     0  0 .482 .0056  .0056  .0057  .0056  .0001      0      0
MgM2      0    .5  0 .706 .0087  .0069  .0087  .0106 -.0014      0      0
AlM2      0    .5  0  .05 .0087  .0069  .0087  .0106 -.0014      0      0
MgM3  .1247 .1708 .5 .934 .0081  .0081  .0078  .0084 -.0008      0      0
AlM3  .1247 .1708 .5 .066 .0081  .0081  .0078  .0084 -.0008      0      0
FeM4  .1275 .3893  0 .181 .0082  .0087  .0060  .0099  .0002      0      0
TiM4  .1275 .3893  0 .009 .0082  .0087  .0060  .0099  .0002      0      0
MgM4  .1275 .3893  0 .756 .0082  .0087  .0060  .0099  .0002      0      0
AlM4  .1275 .3893  0 .054 .0082  .0087  .0060  .0099  .0002      0      0
FeM5  .2570 .2710  0  .44 .0075  .0064  .0076  .0086 -.0004      0      0
TiM5  .2570 .2710  0  .02 .0075  .0064  .0076  .0086 -.0004      0      0
MgM5  .2570 .2710  0 .504 .0075  .0064  .0076  .0086 -.0004      0      0
AlM5  .2570 .2710  0 .036 .0075  .0064  .0076  .0086 -.0004      0      0
MgM6  .3746 .1089 .5 .934 .0084  .0087  .0075  .0090  .0009      0      0
AlM6  .3746 .1089 .5 .066 .0084  .0087  .0075  .0090  .0009      0      0
MgM7  .3728 .3885 .5 .934 .0086  .0083  .0083  .0093 -.0008      0      0
AlM7  .3728 .3885 .5 .066 .0086  .0083  .0083  .0093 -.0008      0      0
B1   -.0115 .2513  0      .0082
B2    .2373 .0293  0      .0080
O1    .0686 .0317 .5      .0096
O2    .0629 .2472  0      .0086
O3    .0702 .4629 .5      .0124
O4    .1991 .1266  0      .0092
O5    .1834 .3137 .5      .0121
O6    .3117 .0313  0      .0088
O7    .3208 .2454 .5      .0107
O8    .3006 .4321  0      .0085
O9    .4507 .1525  0      .0091
O10   .4500 .3474  0      .0090
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Download in:

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 4
View in amc, download in amc

Return to AMCSD Home Page