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Ferrotychite |
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Malinovskii Yu A, Baturin S V, Belov N V |
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Doklady Akademii Nauk SSSR 249 (1979) 1365-1368 |
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The crystal structure of Fe-tychite |
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_database_code_amcsd 0012463 |
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13.962 13.962 13.962 90 90 90 *Fd3 |
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.125 .125 .125 |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Na .90822 .125 .125 1.42 .001231 .002129 .002244 .000000 .000000 .000846 |
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Fe .5 .5 .5 .56 .000731 .000731 .000731 -.000026 -.000026 -.000026 |
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S .125 .125 .125 .85 .001064 .001064 .001064 .000000 .000000 .000000 |
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C .28077 .28077 .28077 .66 .000846 .000846 .000846 .000000 .000000 .000000 |
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O1 .93631 .93631 .93631 1.41 .001808 .001808 .001808 -.000333 -.000333 -.000333 |
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O2 .22233 .26721 .35078 .94 .001206 .001590 .001000 .000000 .000372 .000218 |
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Nabaphite |
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Baturin S V, Malinovskii Y A, Belov N V |
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Doklady Akademii Nauk SSSR 266 (1982) 624-627 |
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The crystal structure of nabaphite NaBa[PO4]*9H2O |
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_database_code_amcsd 0012473 |
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10.7116 10.7116 10.7116 90 90 90 P2_13 |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Na .6808 .6808 .6808 2.24 .0048 .0048 .0048 -.0009 -.0009 -.0009 |
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Ba .052 .052 .052 1.54 .0034 .0034 .0034 -.0001 -.0001 -.0001 |
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P .428 .428 .428 1.41 .0030 .0030 .0030 .0001 .0001 .0001 |
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O4 .345 .345 .345 .86 |
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O5 .511 .511 .511 .14 |
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O6 .5605 .4379 .3663 .28 |
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O7 .388 .501 .307 .39 |
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O8 .555 .363 .455 .33 |
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Wat1 .4017 .0885 .3383 2.91 .0087 .0043 .0049 0 -.0014 -.0011 |
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Wat2 .2989 .1434 .041 2.70 .0038 .0088 .0053 -.0017 -.0003 -.0020 |
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Wat3 .5961 .2879 .159 2.32 .0031 .0056 .0059 .0015 .0010 .0001 |
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Weeksite |
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Baturin S V |
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Doklady Akademii Nauk SSSR 282 (1985) 1132-1136 |
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Crystal-structure of weeksite |
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_database_code_amcsd 0018510 |
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7.092 17.888 7.113 90 90 90 Cmmm |
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atom x y z occ Biso |
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U 0 .1982 0 1.15 |
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Si1 0 .3744 0 1.1 |
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Si2 0 0 .117 .5 1.0 |
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Si3 .095 .5 .282 .5 1.1 |
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O1 0 .199 .248 1.1 |
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O2 .174 .316 0 1.3 |
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O3 0 .427 .190 2.4 |
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O4 0 .071 0 11.0 |
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O5 0 .5 .5 2.9 |
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O6 .179 0 .268 .5 2.8 |
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Wat1 0 0 .5 6.4 |
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Wat2 .179 .325 .5 .50 3.8 |
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K .179 .325 .5 .31 3.8 |
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Na .179 .325 .5 .19 3.8 |
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Nastrophite |
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Baturin S V, Malinovskii Y A, Belov N V |
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Soviet Physics Doklady 26 (1981) 1023-1026 |
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The crystal structure of nastrophite Na(Sr,Ba)[PO4]*9H2O |
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_database_code_amcsd 0015610 |
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10.559 10.559 10.559 90 90 90 P2_13 |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Na .6765 .6765 .6765 2.5 .0054 .0054 .0054 -.0008 -.0008 -.0008 |
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Sr .0533 .0533 .0533 .94 1.5 .0033 .0033 .0033 0 0 0 |
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Ba .0533 .0533 .0533 .03 1.5 .0033 .0033 .0033 0 0 0 |
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Ca .0533 .0533 .0533 .03 1.5 .0033 .0033 .0033 0 0 0 |
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P .4243 .4243 .4243 1.4 .0032 .0032 .0032 -.0007 -.0007 -.0007 |
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O4 .3402 .3402 .3402 .44 3.3 |
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O5 .5544 .4472 .3595 .44 2.4 |
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O6 .5573 .3780 .4768 .27 2.4 |
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O7 .5189 .3142 .3982 .25 2.4 |
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O8 .3850 .4100 .5600 .04 |
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O9 .3100 .3900 .3400 .187 |
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Ow1 .3991 .0835 .3464 2.7 .0071 .0058 .0051 -.0004 -.0008 -.0009 |
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Ow2 .2892 .1332 .0466 2.5 .0043 .0076 .0061 -.0011 -.0004 .0011 |
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Ow3 .5994 .2910 .1499 2.6 .0062 .0055 .0054 .0013 .0015 .0014 |
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H1 .39 .18 .38 |
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H2 .43 .09 .28 |
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H3 .34 .09 .08 |
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H4 .33 .23 .06 |
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H5 .57 .21 .14 |
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H6 .54 .33 .22 |
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View JMOL 3-D Structure
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