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Samarskite-(Y) |
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Britvin S N, Pekov I V, Krzhizhanovskaya M G, Agakhanov A A, Ternes B, Schuller W, Chukanov N V |
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Physics and Chemistry of Minerals 46 (2019) 727-741 |
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Redefinition and crystal chemistry of samarskite-(Y), YFe3+Nb2O8: |
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cation-ordered niobate structurally related to layered double tungstates |
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Sample LS, natural |
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Locality: Laacher See, Eifel, Rhineland-Palatinate, Germany |
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_database_code_amcsd 0021078 |
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9.8020 5.6248 5.2073 90 93.406 90 P2/c |
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atom x y z occ Uiso |
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YA 0 .26303 .75 .25 .00623 |
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LaA 0 .26303 .75 .01 .00623 |
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CeA 0 .26303 .75 .03 .00623 |
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NdA 0 .26303 .75 .02 .00623 |
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SmA 0 .26303 .75 .01 .00623 |
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GdA 0 .26303 .75 .01 .00623 |
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DyA 0 .26303 .75 .04 .00623 |
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HoA 0 .26303 .75 .01 .00623 |
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ErA 0 .26303 .75 .02 .00623 |
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YbA 0 .26303 .75 .03 .00623 |
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ThA 0 .26303 .75 .37 .00623 |
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U4+A 0 .26303 .75 .13 .00623 |
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CaA 0 .26303 .75 .03 .00623 |
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Fe3+M .5 .33655 .75 .73 .0065 |
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Mn2+M .5 .33655 .75 .18 .0065 |
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NbB .73465 .18404 .28544 .92 .00585 |
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TiB .73465 .18404 .28544 .03 .00585 |
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ZrB .73465 .18404 .28544 .03 .00585 |
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TaB .73465 .18404 .28544 .01 .00585 |
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WB .73465 .18404 .28544 .01 .00585 |
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O1 .13815 .0643 .4764 .0101 |
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O2 .13102 .4059 .0999 .0106 |
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O3 .63878 .1207 .5987 .0106 |
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O4 .61212 .3772 .0988 .0120 |
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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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Samarskite-(Y) |
 |
Britvin S N, Pekov I V, Krzhizhanovskaya M G, Agakhanov A A, Ternes B, Schuller W, Chukanov N V |
|
Physics and Chemistry of Minerals 46 (2019) 727-741 |
|
Redefinition and crystal chemistry of samarskite-(Y), YFe3+Nb2O8: |
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cation-ordered niobate structurally related to layered double tungstates |
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Sample LS-1100, after annealing at 1100 C |
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Locality: Laacher See, Eifel, Rhineland-Palatinate, Germany |
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_database_code_amcsd 0021079 |
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9.8006 5.6254 5.2154 90 93.481 90 P2/c |
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atom x y z occ Uiso |
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YA 0 .26284 .75 .25 .0045 |
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LaA 0 .26284 .75 .01 .0045 |
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CeA 0 .26284 .75 .03 .0045 |
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NdA 0 .26284 .75 .02 .0045 |
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SmA 0 .26284 .75 .01 .0045 |
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GdA 0 .26284 .75 .01 .0045 |
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DyA 0 .26284 .75 .04 .0045 |
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HoA 0 .26284 .75 .01 .0045 |
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ErA 0 .26284 .75 .02 .0045 |
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YbA 0 .26284 .75 .03 .0045 |
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ThA 0 .26284 .75 .37 .0045 |
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U4+A 0 .26284 .75 .13 .0045 |
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CaA 0 .26284 .75 .03 .0045 |
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Fe3+M .5 .33682 .75 .73 .0052 |
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Mn2+M .5 .33682 .75 .18 .0052 |
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NbB .7342 .18354 .28542 .92 .0039 |
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TiB .7342 .18354 .28542 .03 .0039 |
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ZrB .7342 .18354 .28542 .03 .0039 |
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TaB .7342 .18354 .28542 .01 .0039 |
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WB .7342 .18354 .28542 .01 .0039 |
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O1 .1377 .0641 .4760 .0082 |
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O2 .1312 .4051 .1001 .0093 |
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O3 .6394 .1208 .5991 .0091 |
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O4 .6126 .3764 .0990 .0104 |
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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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Samarskite-(Y) |
 |
Britvin S N, Pekov I V, Krzhizhanovskaya M G, Agakhanov A A, Ternes B, Schuller W, Chukanov N V |
|
Physics and Chemistry of Minerals 46 (2019) 727-741 |
|
Redefinition and crystal chemistry of samarskite-(Y), YFe3+Nb2O8: |
|
cation-ordered niobate structurally related to layered double tungstates |
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Sample BP-1100, originally metamict, after annealing at 1100 C |
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Locality: Blyumovskaya pit, Ilmeny Mts, South Urals, Russia |
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_database_code_amcsd 0021080 |
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9.7035 5.6008 5.1637 90 93.285 90 P2/c |
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atom x y z occ Biso |
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YA 0 .2686 .75 .61 .3 |
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CeA 0 .2686 .75 .01 .3 |
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NdA 0 .2686 .75 .01 .3 |
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SmA 0 .2686 .75 .02 .3 |
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GdA 0 .2686 .75 .02 .3 |
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DyA 0 .2686 .75 .05 .3 |
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HoA 0 .2686 .75 .02 .3 |
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ErA 0 .2686 .75 .03 .3 |
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TmA 0 .2686 .75 .01 .3 |
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YbA 0 .2686 .75 .03 .3 |
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ThA 0 .2686 .75 .06 .3 |
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Fe3+M .5 .3311 .75 .88 .8 |
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Mn2+M .5 .3311 .75 .08 .8 |
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NbB .7342 .1841 .2853 .82 .3 |
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TaB .7342 .1841 .2853 .12 .3 |
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TiB .7342 .1841 .2853 .08 .3 |
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O1 .138 .071 .468 .3 |
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O2 .143 .426 .094 .3 |
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O3 .647 .119 .607 .3 |
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O4 .610 .392 .097 .3 |
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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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