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