American Mineralogist Crystal Structure Database

6 matching records for this search.

Combeite
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Ohsato H, Maki I, Takeuchi Y
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=41&spage=1575
Acta Crystallographica C41 (1985) 1575-1577
Structure of Na2CaSi2O6
Locality: synthetic high-temperature form
_database_code_amcsd 0010016
10.500 10.500 13.184 90 90 120 R-3m
atom     x      y     z  occ Biso
Na1      0      0 .2485 .705 1.04
Ca1      0      0 .2485 .295 1.04
Na2     .5      0     0 .972 2.69
Na3     .5      0    .5 .501 1.34
Ca3     .5      0    .5 .499 1.34
Ca4      0      0     0       .81
Si   .1502 -.1502 .5636       .58
O1   .2533  .0131 .5147   .5 2.81
O2   .1161 -.1161 .6734      2.68
O3   .2373 -.2373 .5510      2.62
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View JMOL 3-D Structure (permalink)
 
Combeite
Download hom/combeite.pdf
Ohsato H, Takeuchi Y, Maki I
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=42&spage=934
Acta Crystallographica C42 (1986) 934-937
Structure of Na4Ca4[Si6O18]
Locality: synthetic low-temperature form
_database_code_amcsd 0010031
10.464 10.464 13.168 90 90 120 P3_121
atom        x     y      z occ Biso
Na1     .3086 .9830  .5892 .42  .59
Ca1     .3086 .9830  .5892 .29  .59
Nal'    .2821 .9704  .6151 .17  2.6
Cal'    .2821 .9704  .6151 .12  2.6
Na2     .5041 .3380  .6642     1.69
Ca31    .5262 .3704  .1558 .59 1.56
Na31    .5262 .3704  .1558 .41 1.56
Ca32    .8203     0    5/6      .76
Ca4     .3039     0    1/3      .59
Sil     .1986 .1526  .7780      .46
Si2     .4996 .3234  .8958      .54
Si3     .6243 .1485  .7635      .50
O11     .1671     0    5/6      1.4
O12     .5555     0    5/6      1.6
O13     .3442 .2842  .8382      .90
O14     .5849 .2643  .8199     1.05
O21     .2468 .1535  .6622     1.09
O22     .4782 .2472  .0032     1.22
O23     .5513 .1104  .6540     1.38
O31     .0652 .1853  .7949      .79
O32     .5965 .4991  .8880     1.38
O33     .7990 .2184  .7763     1.07
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View JMOL 3-D Structure (permalink)
 
Combeite
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Fischer R X, Tillmanns E
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=43&spage=1852
Acta Crystallographica C43 (1987) 1852-1854
Revised data for combeite, Na2Ca2Si3O9
Locality: synthetic low-temperature form
_database_code_amcsd 0010050
10.464 10.464 13.176 90 90 120 P3_121
atom     x     y     z occ Uiso
Na1  .3125 .9845 .5889 .52 .016
Ca1  .3125 .9845 .5889 .43 .016
Na21 .5032 .3366 .6644     .023
Na22 .8115     0   1/3 .40 .049
Na31 .5196 .3618 .1579 .48 .023
Ca31 .5196 .3618 .1579 .47 .023
Ca32 .8217     0   5/6     .010
Ca4  .3083     0   1/3     .007
Sil  .1978 .1523 .7759     .007
Si2  .4973 .3207 .8958     .007
Si3  .6269 .1489 .7643     .007
Ol   .1616     0   5/6     .028
O2   .5591     0   5/6     .028
O3   .3445 .2787 .8354     .017
O4   .5861 .2639 .8217     .021
O5   .2439 .1479 .6611     .016
O6   .4683 .2435 .0015     .023
O7   .5547 .1109 .6552     .019
O8   .0688 .1892 .7922     .013
O9   .5939 .4961 .8881     .018
O10  .8011 .2184 .7774     .016
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Combeite
Download hom/combeite.pdf
Fischer R X, Tillmanns E
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=43&spage=1852
Acta Crystallographica C43 (1987) 1852-1854
Revised data for combeite, Na2Ca2Si3O9
Locality: synthetic high-temperature form
_database_code_amcsd 0010051
10.429 10.429 13.149 90 90 120 R-3m
atom     x      y      z occ Uiso
Na1      0      0  .2505 .60 .019
Ca1      0      0  .2505 .40 .019
Na2     .5      0      0 .76 .028
Na3     .5      0     .5 .60 .023
Ca3     .5      0     .5 .40 .023
Ca4      0      0      0     .012
Sil  .1511 -.1511  .5642     .014
Ol   .2511      0     .5     .050
O2   .1150 -.1150  .6740     .034
O3   .2385 -.2385  .5548     .038
Download AMC data (View Text File)
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Combeite
Download hom/combeite.pdf
Fischer R X, Tillmanns E
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1983 (1983) 49-59
Die Kristallstrukturen von naturlichem Na2Ca2Si3O9
vom Mt.Shaheru (Zaire) und aus dem Mayener Feld (Eifel)
Note: this is the low-temperature form of combeite
Locality: Mayener Feld, Eifel, Germany
_database_code_amcsd 0019534
10.464 10.464 13.176 90 90 120 P3_2
atom     x     y     z occ Biso
Nal  .6503 .0067 .4144  .5  1.3
Na2  .9935 .1618 .3442      1.4
Na3  .5042 .6784 .3389     1.12
Na4   .652  .509  .679      1.4
Na5  .1468 .9723 .1807     1.18
Cal  .9751 .6421 .3395      .66
Ca2  .8438 .3332 .5055      .66
Ca3  .3033 .8123 .4965     1.42
Ca4  .9828 .6617 .5915  .5 1.11
Si1  .4710 .1811 .5623      .81
Si2  .1904 .4819 .4358      .29
Si3  .6207 .4840 .4472      .53
Si4  .4896 .6553 .5675      .46
Si5  .8176 .8564 .2405      .66
Si6  .8455 .8310 .7762      .61
O1   .6015 .6131 .5077      1.2
O2    .666 .1709 .1718      2.0
O3    .347  .599 .4929      1.2
O4    .778 .8907 .3498      1.4
O5    .894  .804 .6726      1.4
O6   .4773 .2659 .1305       .9
O7    .261 .4331 .8940      1.3
O8    .162  .235 .1162      1.5
O9   .8866  .752 .2277      1.1
O10  .5168  .088 .0009      1.3
O11  .4410 .5765 .6760      1.1
O12  .7613 .5766 .0128      1.3
O13   .554  .780 .9949      1.4
O14   .931  .011 .1832      1.4
O15   .733 .6766 .8368      1.4
O16   .666  .775 .1727      1.9
O17  .8546 .4533 .2125       .7
O18   .448  .531 .1148      1.5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Combeite
Download hom/combeite.pdf
Fischer R X, Tillmanns E
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1983 (1983) 49-59
Die Kristallstrukturen von naturlichem Na2Ca2Si3O9
vom Mt.Shaheru (Zaire) und aus dem Mayener Feld (Eifel)
Note: this is the high-temperature form of combeite
Locality: Mt. Shaheru, Zaire
_database_code_amcsd 0019535
10.429 10.429 13.149 90 90 120 R-3m
atom     x     y     z occ Biso
Na1     .5     0     0      2.1
Na2      0     0 .2504  .5  .79
Ca1     .5     0    .5     2.01
Ca2      0     0     0      .54
Si   .8490 .6980 .4358     1.09
O1   .2524     0    .5      3.5
O2   .7611 .5222 .4454      2.7
O3   .8850 .7700 .3260      2.4
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 6
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