American Mineralogist Crystal Structure Database

6 matching records for this search.

Natrite
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Arakcheeva A, Bindi L, Pattison P, Meisser N, Chapuis G, Pekov I
 
American Mineralogist 95 (2010) 574-581
The incommensurately modulated structures of natural natrite at 120
and 293 K from synchrotron X-ray data
Locality: Mt. Koashva, Khibiny massif, Kola peninsula, Russia
T = 120 K
_database_code_amcsd 0005042
8.825 5.194 5.953 90 101.83 90 C2/m
atom      x      y      z  occ  Uiso
Na1       0      0      0 .976 .0117
Na2       0      0     .5 .987 .0117
Na3  .17101     .5 .74766 .977 .0155
C    .16446     .5  .2492      .0103
O1   .10211 .29314 .28695      .0186
O2   .28945     .5 .17451      .0159
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Natrite
Download hom/natrite.pdf
Arakcheeva A, Bindi L, Pattison P, Meisser N, Chapuis G, Pekov I
 
American Mineralogist 95 (2010) 574-581
The incommensurately modulated structures of natural natrite at 120
and 293 K from synchrotron X-ray data
Locality: Mt. Koashva, Khibiny massif, Kola peninsula, Russia
T = 293 K
_database_code_amcsd 0005043
8.851 5.24 6.021 90 101.08 90 C2/m
atom      x      y      z  occ  Uiso
Na1       0      0      0 .977 .0191
Na2       0      0     .5 .987 .0197
Na3  .17036     .5 .74816 .977 .0271
C    .16441     .5  .2492      .0145
O1   .10178 .29423 .28557      .0310
O2   .28986     .5  .1776      .0271
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View JMOL 3-D Structure (permalink)
 
Natrite
Download hom/natrite.pdf
Arakcheeva A, Bindi L, Pattison P, Meisser N, Chapuis G, Pekov I
 
American Mineralogist 95 (2010) 574-581
The incommensurately modulated structures of natural natrite at 120
and 293 K from synchrotron X-ray data
Locality: Mt. Koashva, Lovozero massif, Kola peninsula, Russia
T = 293 K
_database_code_amcsd 0005044
8.8818 5.235 6.0455 90 101.464 90 C2/m
atom      x      y      z  occ  Uiso
Na1       0      0      0 .978 .0189
Na2       0      0     .5 .975 .0182
Na3  .17065     .5 .74801 .970 .0264
C    .16426     .5  .2491      .0133
O1   .10165 .29451 .28529      .0283
O2   .28932     .5  .1776      .0257
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Natrite
Download hom/natrite.pdf
Dusek M, Chapuis G, Meyer M, Petricek V
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=59&spage=337
Acta Crystallographica B59 (2003) 337-352
Sodium carbonate revisited
Locality: synthetic
Sample: Gamma phase, T = 295 K
_database_code_amcsd 0009928
8.920 5.245 6.050 90 101.35 90 C2/m
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
Na1       0      0      0 .01731 .01757 .01860 .01713       0 .00672      0
Na2       0      0     .5 .01673 .01919 .01561 .01686       0 .00714      0
Na3  .17055     .5 .74801 .02554 .02174 .02568  .0307       0 .00888      0
C    .16446     .5 .24914 .01155  .0111 .01219  .0119       0  .0037      0
O1   .10159 .29384 .28535 .02607  .0318 .01881  .0299 -.00956 .01172 .00055
O2   .28987     .5 .17757 .02274  .0148  .0324  .0237       0  .0104      0
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Natrite
Download hom/natrite.pdf
Dusek M, Chapuis G, Meyer M, Petricek V
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=59&spage=337
Acta Crystallographica B59 (2003) 337-352
Sodium carbonate revisited
Locality: synthetic
Sample: Delta phase, T = 110 K
_database_code_amcsd 0009929
8.898 5.237 5.996 90 101.87 90 C2/m
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
Na1       0      0      0 .00886 .00927 .00910 .00885       0 .00338      0
Na2       0      0     .5 .00855 .01018 .00779 .00831       0 .00332      0
Na3  .17125     .5 .74784 .01267 .01204 .01238 .01448       0 .00482      0
C    .16454     .5 .24887 .00695  .0071 .00690  .0072       0 .00232      0
O1   .10175 .29345 .28667 .01312 .01620 .00969 .01463 -.00452 .00584 .00021
O2   .28941     .5 .17472 .01135 .00874 .01506  .0115       0 .00509      0
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Lazurite
Download hom/lazurite.pdf
Rastsvetaeva R K, Bolotina N B, Sapozhnikov A N, Kashaev A A, Schoenleber A,
Chapuis G
 
Crystallography Reports 47 (2002) 404-407
Average structure of cubic lazurite with a three-dimensional incommensurate
modulation
Locality: Malo-Bystrinskoe deposit, Lake Baikal region, Russia
_database_code_amcsd 0012380
9.077 9.077 9.077 90 90 90 P23
atom     x     y     z  occ Biso
Na1  .2585 .2585 .2585  .44  4.4
Na2  .2019 .2019 .2019  .24  3.1
Na3  .3253 .3253 .3253  .32  5.7
Na4  .6872 .6872 .6872  .37  6.6
NaM  .7547 .7547 .7547 .216  5.1
CaM  .7547 .7547 .7547 .144  5.1
Ca   .8150 .8150 .8150  .27  5.0
Si1     .5 .2499     0   .5  3.2
Al1     .5 .2499     0   .5  3.2
Si2     .5     0 .2499   .5  3.6
Al2     .5     0 .2499   .5  3.6
S1       0     0     0  .51  9.3
S2      .5    .5    .5  .37  8.1
OS1  .8996 .8996 .8996  .51 11.4
OS2  .3930 .3930 .3930  .37 10.4
S3   .1522    .5    .5 .056 19.3
Cl3  .1522    .5    .5 .004 19.3
S4   .2589     0     0 .066  8.7
Cl4  .2589     0     0 .004  8.7
S5   .2683    .5    .5 .026 10.3
Cl5  .2683    .5    .5 .004 10.3
S6   .1471     0     0 .046 11.6
Cl6  .1471     0     0 .004 11.6
O1   .3509 .3512 .0163       7.8
O2'  .1466 .1464 .5355  .68  4.3
O2"  .1508 .1521 .4502  .32  3.2
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Download CIF data (View Text File)
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 6
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