American Mineralogist Crystal Structure Database

3 matching records for this search.

Samarskite-(Y)
Download hom/samarskitey.pdf
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
Sample LS, natural
Locality: Laacher See, Eifel, Rhineland-Palatinate, Germany
_database_code_amcsd 0021078
9.8020 5.6248 5.2073 90 93.406 90 P2/c
atom       x      y      z occ   Uiso
YA         0 .26303    .75 .25 .00623
LaA        0 .26303    .75 .01 .00623
CeA        0 .26303    .75 .03 .00623
NdA        0 .26303    .75 .02 .00623
SmA        0 .26303    .75 .01 .00623
GdA        0 .26303    .75 .01 .00623
DyA        0 .26303    .75 .04 .00623
HoA        0 .26303    .75 .01 .00623
ErA        0 .26303    .75 .02 .00623
YbA        0 .26303    .75 .03 .00623
ThA        0 .26303    .75 .37 .00623
U4+A       0 .26303    .75 .13 .00623
CaA        0 .26303    .75 .03 .00623
Fe3+M     .5 .33655    .75 .73  .0065
Mn2+M     .5 .33655    .75 .18  .0065
NbB   .73465 .18404 .28544 .92 .00585
TiB   .73465 .18404 .28544 .03 .00585
ZrB   .73465 .18404 .28544 .03 .00585
TaB   .73465 .18404 .28544 .01 .00585
WB    .73465 .18404 .28544 .01 .00585
O1    .13815  .0643  .4764      .0101
O2    .13102  .4059  .0999      .0106
O3    .63878  .1207  .5987      .0106
O4    .61212  .3772  .0988      .0120
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Samarskite-(Y)
Download hom/samarskitey.pdf
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
Sample LS-1100, after annealing at 1100 C
Locality: Laacher See, Eifel, Rhineland-Palatinate, Germany
_database_code_amcsd 0021079
9.8006 5.6254 5.2154 90 93.481 90 P2/c
atom      x      y      z occ  Uiso
YA        0 .26284    .75 .25 .0045
LaA       0 .26284    .75 .01 .0045
CeA       0 .26284    .75 .03 .0045
NdA       0 .26284    .75 .02 .0045
SmA       0 .26284    .75 .01 .0045
GdA       0 .26284    .75 .01 .0045
DyA       0 .26284    .75 .04 .0045
HoA       0 .26284    .75 .01 .0045
ErA       0 .26284    .75 .02 .0045
YbA       0 .26284    .75 .03 .0045
ThA       0 .26284    .75 .37 .0045
U4+A      0 .26284    .75 .13 .0045
CaA       0 .26284    .75 .03 .0045
Fe3+M    .5 .33682    .75 .73 .0052
Mn2+M    .5 .33682    .75 .18 .0052
NbB   .7342 .18354 .28542 .92 .0039
TiB   .7342 .18354 .28542 .03 .0039
ZrB   .7342 .18354 .28542 .03 .0039
TaB   .7342 .18354 .28542 .01 .0039
WB    .7342 .18354 .28542 .01 .0039
O1    .1377  .0641  .4760     .0082
O2    .1312  .4051  .1001     .0093
O3    .6394  .1208  .5991     .0091
O4    .6126  .3764  .0990     .0104
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Samarskite-(Y)
Download hom/samarskitey.pdf
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
Sample BP-1100, originally metamict, after annealing at 1100 C
Locality: Blyumovskaya pit, Ilmeny Mts, South Urals, Russia
_database_code_amcsd 0021080
9.7035 5.6008 5.1637 90 93.285 90 P2/c
atom      x     y     z occ Biso
YA        0 .2686   .75 .61   .3
CeA       0 .2686   .75 .01   .3
NdA       0 .2686   .75 .01   .3
SmA       0 .2686   .75 .02   .3
GdA       0 .2686   .75 .02   .3
DyA       0 .2686   .75 .05   .3
HoA       0 .2686   .75 .02   .3
ErA       0 .2686   .75 .03   .3
TmA       0 .2686   .75 .01   .3
YbA       0 .2686   .75 .03   .3
ThA       0 .2686   .75 .06   .3
Fe3+M    .5 .3311   .75 .88   .8
Mn2+M    .5 .3311   .75 .08   .8
NbB   .7342 .1841 .2853 .82   .3
TaB   .7342 .1841 .2853 .12   .3
TiB   .7342 .1841 .2853 .08   .3
O1     .138  .071  .468       .3
O2     .143  .426  .094       .3
O3     .647  .119  .607       .3
O4     .610  .392  .097       .3
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: 3
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