American Mineralogist Crystal Structure Database

4 matching records for this search.

Bornemanite
Download hom/bornemanite.pdf
Ferraris G, Belluso E, Gula A, Soboleva S V, Ageeva O A, Borutskii B E
Download cm/vol39/CM39_1665.pdf
The Canadian Mineralogist 39 (2001) 1665-1673
A structure model of the layer titanosilicate bornemanite based on
seidozerite and lomonosovite modules
_database_code_amcsd 0005756
5.498 7.120 47.95 90 90 88.4 Ib
atom    x     y    z occ Biso
Si1  .440  .124 .280        2
Si2  .362  .573 .287        2
Si3  .726  .361 .391        2
Si4  .675  .783 .399        2
P    .360  .891 .459        2
Ti1  .175  .088 .405        2
Ti2  .835  .608 .336        2
Nb   .890  .878 .270  .7    2
Ti   .890  .878 .270  .3    2
Na1  .283  .285 .332        2
Na2  .312  .820 .340        2
Na3  .747  .105 .340        2
Na4  .785  .400 .265 .75    2
Mn4  .785  .400 .265 .25    2
Na5  .180  .587 .408 .75    2
Mn5  .180  .587 .408 .25    2
Na6  .980  .560 .464 .65    2
Ba6  .980  .560 .464 .35    2
Ba   .615  .775 .546 .65    2
Na   .615  .775 .546 .35    2
O1   .410  .352 .280        2
O2   .576  .710 .276        2
O3   .735  .119 .283        2
O4   .097  .650 .278        2
O5   .258 -.035 .270        2
O6   .492  .583 .317        2
O7   .456  .024 .310        2
O8   .900  .860 .314        2
O9   .907  .372 .314        2
O10  .726  .563 .407        2
O11  .970  .316 .409        2
O12  .942  .863 .404        2
O13  .485  .250 .400        2
O14  .430  .892 .409        2
O15  .145  .553 .360        2
O16  .105  .051 .365        2
O17  .675  .790 .365        2
O18  .648  .408 .359        2
O19  .172  .035 .447        2
O20  .415  .688 .449        2
O21  .642 -.109 .460        2
O22  .268 -.109 .489        2
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Seidite-(Ce)
 
Ferraris G, Belluso E, Gula A, Soboleva S V, Khomyakov A P
Download cm/vol41/CM41_1183.pdf
The Canadian Mineralogist 41 (2003) 1183-1192
The crystal structure of seidite-(Ce), Na4(Ce,Sr)2{Ti(OH)2(Si8O18)}(O,OH,F)4.5H2O,
a modular microporous titanosilicate of the rhodesite group
_database_code_amcsd 0005884
24.61 7.23 14.53 90 94.6 90 C2/c
atom     x    y    z occ
Si1   .136 .008 .083
Si2   .126 .068 .870
Si3   .185 .254 .260
Si4   .183 .699 .212
Ti       0    0    0 .86
Nb       0    0    0 .06
Mn       0    0    0 .05
Fe       0    0    0 .02
Ce    .195 .750 .960 .21
La    .195 .750 .960 .15
Nd    .195 .750 .960 .05
Pr    .195 .750 .960 .02
Sm    .195 .750 .960 .01
Sr    .195 .750 .960 .27
Ca    .195 .750 .960 .10
Th    .195 .750 .960 .06
Na1   .061 .759 .215 .80
K1    .061 .759 .215 .07
Ba1   .061 .759 .215 .03
Na2   .159 .370 .045 .80
K2    .159 .370 .045 .07
Ba2   .159 .370 .045 .03
O1    .071 .966 .072
O2    .150 .048 .977
O3    .157 .204 .800
O4    .068 .102 .915
O5    .161 .807 .116
O6    .251 .225 .273
O7    .159 .134 .171
O8    .180 .475 .231
O9    .149 .885 .819
OH10  .987 .264 .036
Wat11    0 .473  .25
Wat12    0 .091  .25
Wat13 .062 .512 .043
O14   .265 .944 .932
Wat15  .25  .25    0
O16   .127 .514 .909 .11
OH16  .127 .514 .909 .40
F16   .127 .514 .909 .42
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Nafertisite
 
Ferraris G, Ivaldi G, Khomyakov A P, Soboleva S V, Belluso E, Pavese A
 
European Journal of Mineralogy 8 (1996) 241-249
Nafertisite, a layer titanosilicate member of a polysomatic series including mica
_database_code_amcsd 0006619
5.353 16.176 21.95 90 94.6 90 A2/m
atom     x     y      z occ Uiso
Na1    1/2     0      0      .05
Na2      0 -.154      0  .5  .02
Na2'     0 -.279      0  .5  .02
Fe1   .242 .3994 -.2649  .8 .010
Fe2   .257 .8001 -.2453  .8 .016
Fe3   .258     0 -.2319  .8 .012
Ti   -.036     0 -.0980     .005
Si1   .444 -.122  -.117     .073
Si2   .434  .312  -.133     .042
Si3  -.064  .408  -.136     .030
O1    .387  .301  -.206      .02
OH2   .390   1/2  -.223      .03
O3    .411 -.104  -.186      .01
O4   -.109  .404  -.207      .05
OH5   .104  .295  -.305      .02
O6    .075   1/2  -.328      .02
O7    .215  .362  -.109      .02
O8    .725 -.089  -.081      .01
O9    .247  .082  -.079      .06
O10   .455  .222  -.100      .01
O11   .752  .360  -.105      .05
O12  -.073   1/2  -.105      .03
O13      0     0      0      .00
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Kalifersite
 
Ferraris G, Khomyakov A P, Belluso E, Soboleva S V
 
European Journal of Mineralogy 10 (1998) 865-874
Kalifersite, a new alkaline silicate from Kola Peninsula (Russia)
based on a palygorskite-sepiolite polysomatic series
Locality: Kola Peninsula, Russia
_database_code_amcsd 0006753
14.86 20.54 5.29 95.6 92.3 94.4 P-1
atom     x    y     z occ
K1    .519 .108  .069 .72
Na1   .519 .108  .069 .28
K2     .01 .274 -.004 .72
Na2    .01 .274 -.004 .28
K3       0  1/2   1/2 .72
Na3      0  1/2   1/2 .28
Fe1      0    0     0 .55
Mn1      0    0     0 .08
Mg1      0    0     0 .07
Ca1      0    0     0 .02
Fe2      0 .077  .507 .55
Mn2      0 .077  .507 .08
Mg2      0 .077  .507 .07
Ca2      0 .077  .507 .02
Fe3   .508 .318  .175 .55
Mn3   .508 .318  .175 .08
Mg3   .508 .318  .175 .07
Ca3   .508 .318  .175 .02
Fe4   .506 .389  .702 .55
Mn4   .506 .389  .702 .08
Mg4   .506 .389  .702 .07
Ca4   .506 .389  .702 .02
Fe5   .501 .463  .234 .55
Mn5   .501 .463  .234 .08
Mg5   .501 .463  .234 .07
Ca5   .501 .463  .234 .02
Si1   .181 .068  .834
Si2   .176 .122  .334
Si3   .319 .306  .816
Si4   .315 .448  .876
Si5   .319 .235  .274
Si6   .311 .525  .415
Si7     .3  .67  .472
Si8   .293 .742 -.003
Si9   .191 .932  .796
Si10  .192 .866  .268
O1    .074 .078  .843
OH2    .08 .004   .34
OH2   .075 .147  .283
O4    .428 .312  .833
O5    .424 .456  .889
O6    .427 .234  .253
O7    .423 .383  .361  .5
OH7   .423 .383  .361  .5
O8     .42 .531  .424
O9    .413 .602 -.048  .5
OH9   .413 .602 -.048  .5
O10   .411 .677  .483
O11   .403 .748  .982
O12   .082 .932  .816
O13   .081 .858  .274
O14   .208 .001  .673
O15   .207 .121  .635
O16   .195 .059  .136
O17    .26 .165  .225
O18   .274 .273   .05
O19   .285 .266  .546
O20    .27 .373  .839
O21   .279 .474  .615
O22   .287 .483  .144
O23   .265 .593   .48
O24   .259 .716  .704
O25   .267 .686  .189
O26   .245 .805  .132
O27   .216 .926  .095
O28   .219 .877  .574
Wat29 .351 .013  .999
Wat30 .613 .107  .579
Wat31  .13 .414  .179
Wat32 .891 .381  .755
Wat33  .06 .293    .5
Wat34 .147 .523  .902
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