Berzeliite
Hawthorne F C
Acta Crystallographica B32 (1976) 1581-1583
Refinement of the crystal structure of berzeliite
Note: garnet structure
Locality: Langban, Sweden
_database_code_amcsd 0009564
12.355 12.355 12.355 90 90 90 Ia3d
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
NaX .125 0 .25 .3333 .00044 .00114 .00114 0 0 .00045
CaX .125 0 .25 .6667 .00044 .00114 .00114 0 0 .00045
MgY 0 0 0 .85 .00090 .00090 .00090 -.00009 -.00009 -.00009
MnY 0 0 0 .15 .00090 .00090 .00090 -.00009 -.00009 -.00009
AsT .375 0 .25 .00031 .00032 .00032 0 0 0
O .0391 .0522 .6568 .00083 .00099 .00062 .00020 -.00028 -.00004
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Berzeliite
Bubeck W, Machatschki F
Zeitschrift fur Kristallographie 90 (1935) 44-50
Die Kristallstruktur des Berzeliit (Ca, Na)3 (Mg, Mn)2 (As O4)3
_cod_database_code 1010911
_database_code_amcsd 0017639
12.35 12.35 12.35 90 90 90 Ia3d
atom x y z occ
Ca1 .25 .125 0 .667
Na1 .25 .125 0 .333
As1 .25 .375 0
Mg1 0 0 0
O1 -.0417 .0528 .1556
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Berzeliite
Nagashima M, Armbruster T
Mineralogical Magazine 76 (2012) 1081-1097
Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra
in garnet structures
Locality: Langban, Sweden
_database_code_amcsd 0019612
12.3450 12.3450 12.3450 90 90 90 Ia3d
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
NaX .125 0 .25 .30 .00987 .0073 .01116 .01116 0 0 .00208
CaX .125 0 .25 .70 .00987 .0073 .01116 .01116 0 0 .00208
MgY 0 0 0 .881 .0081 .0081 .0081 .0081 -.00047 -.00047 -.00047
MnY 0 0 0 .119 .0081 .0081 .0081 .0081 -.00047 -.00047 -.00047
AsT .375 0 .25 .949 .00506 .00499 .00509 .00509 0 0 0
Si .375 0 .25 .04 .00506 .00499 .00509 .00509 0 0 0
O .03903 .05125 .65664 .00909 .0091 .0104 .0078 .0013 -.0019 .0006
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Berzeliite
Nagashima M, Armbruster T
Mineralogical Magazine 76 (2012) 1081-1097
Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra
in garnet structures
Locality: Montaldo mine, Italy
_database_code_amcsd 0019613
12.3404 12.3404 12.3404 90 90 90 Ia3d
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
NaX .125 0 .25 .33 .00987 .00736 .01113 .01113 0 0 .00158
CaX .125 0 .25 .67 .00987 .00736 .01113 .01113 0 0 .00158
MgY 0 0 0 .879 .0084 .0084 .0084 .0084 -.00021 -.00021 -.00021
MnY 0 0 0 .121 .0084 .0084 .0084 .0084 -.00021 -.00021 -.00021
AsT .375 0 .25 .958 .00525 .00504 .00535 .00535 0 0 0
VT .375 0 .25 .042 .00525 .00504 .00535 .00535 0 0 0
O .03893 .05085 .65608 .00876 .0088 .0100 .0075 .0010 -.0017 .0004
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