American Mineralogist Crystal Structure Database

13 matching records for this search.

Nordite-(La)
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Bakakin V V, Belov N V, Borisov S V, Solovyeva L P
Download am/vol55/AM55_1167.pdf
American Mineralogist 55 (1970) 1167-1181
The crystal structure of nordite and its relationship to melilite and
datolite-gadolinite
_database_code_amcsd 0000207
14.27 5.16 19.45 90 90 90 Pcca
atom     x     y      z Biso
Na1      0     0      0 2.05
Na2  .0696 .0125  .1693 2.10
Sr     .25     0  .0217  .06
La     .25     0  .3194  .39
Zn     .25    .5  .1687  .91
Si1  .0980 .4542  .0623  .61
Si2  .1019 .5433  .2747  .46
Si3  .1116 .5516 -.0819  .31
O1   .9955 .3389  .0811  .84
O2   .1701 .2995  .1101  .70
O3   .1172 .3537 -.0131 1.49
O4   .1019 .7640  .0672 1.64
O5       0 .6366    .25 1.28
O6   .1783 .7090  .2321  .83
O7   .1221 .6503  .3532 1.00
O8   .1178 .2392  .2714 1.26
O9   .1857 .2226  .4173 1.11
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Wairakite
Download hom/wairakite.pdf
Seryotkin Y V, Joswig W, Bakakin V V, Belitsky I A, Fursenko B A
 
European Journal of Mineralogy 15 (2003) 475-484
High-temperature crystal structure of wairakite
Sample: Wai-20, T = 20 C
_database_code_amcsd 0006990
13.666 13.623 13.531 90 90.50 90 I2/a
atom        x      y      z  occ  Uiso
CaM2   .01193 .24673 .11485 .959 .0255
NaM2   .01193 .24673 .11485 .041 .0255
SiT11A .11226 .15742 .41763      .0074
SiT11B .87163 .33854 .40589      .0093
SiT12A .42243 .13119 .15962      .0086
SiT12B .59705 .37346 .16780      .0089
AlT2A  .17585 .41138 .13758      .0087
AlT2B  .84746 .08517 .11737      .0076
O11A    .1096  .3467  .2278      .0152
O11B    .9093  .1461  .2135      .0166
O12A    .3829  .1374  .4660      .0167
O12B    .5983  .3498  .4796      .0131
O21A    .2014  .1169  .3564      .0201
O21B    .7760  .4009  .3800      .0174
O22A    .1281  .4620  .3866      .0178
O22B    .8353  .0353  .3540      .0169
O31A    .3995  .2236  .0893      .0209
O31B    .6446  .2788  .1150      .0211
O32A    .4874  .3901  .1279      .0195
O32B    .5405  .1214  .1638      .0229
WatA    .1352  .1282  .1361  .95  .077
WatB    .8872  .3726  .1156  .87  .072
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Wairakite
Download hom/wairakite.pdf
Seryotkin Y V, Joswig W, Bakakin V V, Belitsky I A, Fursenko B A
 
European Journal of Mineralogy 15 (2003) 475-484
High-temperature crystal structure of wairakite
Sample: Wai-170, T = 170 C
_database_code_amcsd 0006991
13.712 13.712 13.681 90 90 90 *I4_1/acd
0 -.25 .125
atom      x      y      z  occ  Uiso
NaM1  .1218      0    1/4  .03  .051
CaM2      0    1/4    1/8 .928 .0355
SiT1 .12073 .16198 .41366      .0125
AlT2 .16264 .41264    1/8      .0123
O1   .10301 .35191 .22066      .0231
O2   .21462 .10635 .37673      .0303
O3   .37198 .22138 .10178      .0345
Wat   .1231  .1269    1/8      .0943
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Wairakite
Download hom/wairakite.pdf
Seryotkin Y V, Joswig W, Bakakin V V, Belitsky I A, Fursenko B A
 
European Journal of Mineralogy 15 (2003) 475-484
High-temperature crystal structure of wairakite
Sample: Wai-210, T = 210 C
_database_code_amcsd 0006992
13.713 13.713 13.687 90 90 90 *I4_1/acd
0 -.25 .125
atom      x      y      z  occ  Uiso
NaM1  .1263      0    1/4  .04  .060
CaM2      0    1/4    1/8 .922 .0378
SiT1 .12073 .16202 .41367      .0130
AlT2 .16263 .41263    1/8      .0128
O1   .10304 .35175 .22073      .0240
O2   .21462 .10642 .37686      .0315
O3   .37197 .22126 .10174      .0360
Wat   .1231  .1269    1/8       .100
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Wairakite
Download hom/wairakite.pdf
Seryotkin Y V, Joswig W, Bakakin V V, Belitsky I A, Fursenko B A
 
European Journal of Mineralogy 15 (2003) 475-484
High-temperature crystal structure of wairakite
Sample: Wai-400, T = 400 C
_database_code_amcsd 0006993
13.662 13.662 13.555 90 90 90 *I4_1/acd
0 -.25 .125
atom       x      y      z  occ  Uiso
CaM21  .0193  .2307    1/8 .238 .0595
CaM22  .0320  .2180    1/8 .235 .0452
SiT1  .12024 .16414 .41459      .0186
AlT2  .16080 .41080    1/8      .0182
O1     .1034  .3450  .2207      .0347
O2     .2179  .1118  .3829      .0413
O3     .3750  .2183  .0962      .0455
Wat    .1454  .1046    1/8  .31  .184
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Wairakite
Download hom/wairakite.pdf
Seryotkin Y V, Joswig W, Bakakin V V, Belitsky I A, Fursenko B A
 
European Journal of Mineralogy 15 (2003) 475-484
High-temperature crystal structure of wairakite
Sample: Wai-600, T = 600 C
_database_code_amcsd 0006994
13.645 13.645 13.515 90 90 90 *I4_1/acd
0 -.25 .125
atom       x      y      z  occ  Uiso
CaM22  .0280  .2220    1/8 .324 .0716
CaM23  .0087  .2587    1/8 .155  .148
SiT1  .12007 .16420 .41447      .0252
AlT2  .16113 .41113    1/8      .0247
O1     .1044  .3437  .2208      .0472
O2     .2181  .1125  .3834      .0545
O3     .3759  .2179  .0946      .0580
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Paranatrolite
Download hom/paranatrolite.pdf
Seryotkin Y V, Bakakin V V, Belitsky I A
 
European Journal of Mineralogy 16 (2004) 545-550
The crystal structure of paranatrolite
_database_code_amcsd 0007077
18.971 19.204 6.5952 90 91.601 90 Fd
atom        x       y     z  occ  Uiso
Na1   -.02490  .21593 .4035 .973 .0281
Na10   .03054  .27995 .8792 .977 .0319
K       .1297   .3799 .3780 .229 .0334
SiT1    .0000  .00342 .0000  .59 .0093
AlT1    .0000  .00342 .0000  .41 .0093
SiT21 -.08739  .04280 .3711  .60 .0099
AlT21 -.08739  .04280 .3711  .40 .0099
SiT22  .09389 -.04350 .3878  .60 .0087
AlT22  .09389 -.04350 .3878  .40 .0087
AlT23  .04920  .08768 .6238  .51 .0097
SiT23  .04920  .08768 .6238  .49 .0097
AlT24 -.03967 -.08993 .6133  .53 .0097
SiT24 -.03967 -.08993 .6133  .47 .0097
O1      .0236  .07177 .8627      .0192
O10    -.0190 -.06543 .8547      .0189
O2     .08596  .16672 .6247      .0154
O20   -.07726 -.16908 .6194      .0152
O3     .10458  .02504 .5421      .0177
O30   -.09452 -.03133 .5027      .0207
O4    -.02269  .09221 .4686      .0226
O40    .03522 -.09895 .4819      .0197
O5    -.07142  .02389 .1289      .0187
O50    .06725 -.01674 .1582      .0191
Ow6     .0573   .1969 .1332  .98 .0304
H61      .098    .200  .199  .98  .032
H62      .044    .157  .096  .98   .06
Ow60   -.0482   .3184  .608 .359  .048
H601    -.076    .281  .667  .36   .00
H602    -.064    .335  .474  .36   .03
Ow7     .0332   .3168 .5166 .685  .046
H71      .081    .326  .499  .68  .003
H72      .003    .361   .49  .68   .13
Ow70   -.0616   .2033 .7764 .997  .052
H701    -.086    .166  .704        .22
H702    -.061    .197  .922       .032
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Natrolite
Download hom/natrolite.pdf
Seryotkin Y V, Bakakin V V, Fursenko B A, Belitsky I A, Joswig W, Radaelli P G
 
European Journal of Mineralogy 17 (2005) 305-313
Structural evolution of natrolite during over-hydration: a high-pressure
neutron diffraction study
Note: Zeolite
Sample: Khibiny massif, Kola Peninsula, Russia; P = .9 GPa
_database_code_amcsd 0007098
18.2126 18.5695 6.5741 90 90 90 Fdd2
atom      x      y     z occ Uiso
Na   -.0254  .2162  .389 .96 .019
Mg   -.0254  .2162  .389 .03 .019
Ca   -.0254  .2162  .389 .01 .019
Al    .0344  .0940  .609     .008
Si1       0      0     0     .007
Si2  -.0985  .0370  .365     .003
O1    .0229  .0687  .866     .007
O2    .0695  .1823  .612     .003
O3    .0984  .0353  .497     .018
O4   -.0476  .0971  .468     .010
O5   -.0687  .0238  .137     .037
Ow6   .0557  .1916  .111 .74 .015
D61   .0520  .1472  .058 .74 .015
D62   .1065  .1901  .178 .74 .015
Ow7'   .118   .354  .399 .18 .013
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Natrolite
Download hom/natrolite.pdf
Seryotkin Y V, Bakakin V V, Fursenko B A, Belitsky I A, Joswig W, Radaelli P G
 
European Journal of Mineralogy 17 (2005) 305-313
Structural evolution of natrolite during over-hydration: a high-pressure
neutron diffraction study
Note: Zeolite
Sample: Khibiny massif, Kola Peninsula, Russia; P = 1.0 GPa
_database_code_amcsd 0007099
18.8971 19.3142 6.4833 90 91.5835 90 Fd
atom      x      y     z occ Uiso
Na1  -.0209  .2180  .386 .96 .035
Mg1  -.0209  .2180  .386 .03 .035
Ca1  -.0209  .2180  .386 .01 .035
Na10  .0329  .2862  .876 .96 .029
Mg10  .0329  .2862  .876 .03 .029
Ca10  .0329  .2862  .876 .01 .029
Al1   .0472  .0857 .6125     .010
Al10 -.0393 -.0883 .6036     .016
Si1       0  .0047     0     .006
Si2  -.0885  .0432 .3580     .018
Si20  .0942 -.0433 .3761     .005
O1    .0236  .0706 .8678     .012
O10  -.0185 -.0609  .856     .024
O2    .0867  .1676  .603     .014
O20  -.0802 -.1700  .599     .016
O3    .1042  .0203 .5325     .017
O30  -.0960 -.0264  .490     .018
O4   -.0290  .0932  .455     .025
O40   .0361 -.0972  .455     .019
O5   -.0699  .0232 .1252     .015
O50   .0637 -.0188 .1539     .016
Ow6   .0550  .1935  .117     .018
Ow60 -.1036  .3337  .599  .5 .046
Ow7   .0331  .3171  .521     .071
Ow70 -.0606  .1973  .767     .043
D61   .0520  .1526  .051     .064
D62   .0994  .2007  .191     .054
D601  -.055   .328  .630 .40  .09
D602  -.069   .368  .545 .35  .04
D603  -.123   .318  .715 .18 .046
D604  -.141   .350  .484 .12 .046
D71    .014   .368  .469 .60 .071
D72    .092   .315  .493 .50 .071
D73    .055   .357  .411 .44 .071
D74    .064   .309  .387 .40 .071
D701 -.0518  .1550  .828     .079
D702 -.1072  .2111  .809     .070
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Osumilite
Download hom/osumilite.pdf
Seryotkin Y V, Sokol E V, Bakakin V V, Likhacheva A Y
 
European Journal of Mineralogy 20 (2008) 191-198
Pyrometamorphic osumilite: occurrence, paragenesis, and crystal structure as compared to cordierite
Locality: South Urals, Russia
_database_code_amcsd 0007256
10.0999 10.0999 14.3355 90 90 120 P6/mcc
atom      x      y      z  occ  Uiso
SiT1 .24852 .35307 .39220  .84 .0105
AlT1 .24852 .35307 .39220  .16 .0105
AlT2     .5     .5    .25  .96 .0129
FeT2     .5     .5    .25  .04 .0129
O1    .1220  .4080      0      .0206
O2    .2165  .2851 .13129      .0254
O3   .13905 .49343 .17921      .0143
MgA     1/3    2/3    .25  .89 .0121
FeA     1/3    2/3    .25  .07 .0121
MnA     1/3    2/3    .25  .02 .0121
TiA     1/3    2/3    .25  .02 .0121
KC        0      0    .25 .829 .0362
NaB     1/3    2/3   .019 .026   .05
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Volborthite
Download hom/volborthite.pdf
Kashaev A A, Bakakin V V
 
Doklady Akademii Nauk SSSR 181 (1968) 967-969
Crystal structure of volborthite Cu3(OH)2V2O7*2H2O
_database_code_amcsd 0018666
10.60 5.86 7.21 90 95.08 90 C2/m
atom    x   y    z Biso
Cu1     0   0    0  1.4
Cu2   .25 .25    0  1.4
V    .496   0 .256  1.4
O1      0  .5   .5  1.4
O2   .081 .25 .178  1.4
O3   .345   0 .149  1.4
OH   .154   0 .848  1.4
Wat   .16   0  .45  1.4
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Manganoneptunite
Download hom/manganoneptunite.pdf
Borisov S V, Klevtsova R F, Bakakin V V, Belov N V
 
Soviet Physics Crystallography 10 (1966) 684-689
The crystal structure of neptunite
Locality: Lovozero, Russia
_database_code_amcsd 0018809
16.41 12.55 10.03 90 115.5 90 C2/c
atom    x    y    z occ Biso
K       0 .569 .250      .30
Na   .241  .22 .805     2.26
Li      0 .074 .250      .25
Mn   .160 .185 .398 .73  .52
Fe   .160 .185 .398 .27  .52
Ti   .090 .939 .116      .38
Si1  .026 .278 .091      .70
Si2  .103 .844 .414      .55
Si3  .232 .524 .399      .47
Si4  .147 .411 .559     1.00
O1   .106 .286 .250      .07
O2   .033 .172 .418     3.00
O3   .210 .307 .587     3.00
O4   .123 .043 .253     1.10
O5   .202 .071 .580     -.55
O6   .049 .948 .431     1.29
O7   .113 .818 .277     1.66
O8   .164 .517 .484      .19
O9   .166 .457 .729      .60
O10  .039 .374 .471      .80
O11  .289 .631 .470     1.16
O12  .431 .758 .524      .68
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Yftisite-(Y)
 
Balko V P, Bakakin V V
 
Zhurnal Strukturnoi Khimii 16 (1975) 837-842
Crystal-structure of natural yttrium and rare-earth fluorotitano-silicate
(Y,Ree)4(F,OH)6TiO[SiO4]2 (yftisite)
_database_code_amcsd 0015895
14.949 10.626 7.043 90 90 90 Cmcm
atom     x     y     z Biso
Y1   .1464 .4368   .25  1.2
Y2   .1313 .7933   .25  1.0
Ti       0     0    .5  1.3
Si   .1559 .1200   .25   .2
O1   .0954 .1262 .0553  1.0
O2   .2952 .4854   .25   .7
O3   .2201 .2487   .25   .7
O4      .5 .4337   .25   .7
F1   .3582 .1181 .0610   .9
F2       0 .4204   .25  4.2
F3       0 .6987   .25  1.9
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Total number of retrieved datasets: 13
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