Wadalite
Tsukimura K, Kanazawa Y, Aoki M, Bunno M
Acta Crystallographica C49 (1993) 205-207
Structure of wadalite Ca6Al5Si2O16Cl3
Note: the values for the anisoU's are from ICSD
_database_code_amcsd 0010280
12.001 12.001 12.001 90 90 90 I-43d
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca .1043 0 .25 .96 .0086 .0082 .0092 .0084 0 0 .0110
Mg .1043 0 .250 .04 .0086 .0082 .0092 .0084 0 0 .0110
AlT1 -.0169 -.0169 -.0169 .60 .0065 .0065 .0065 .0065 .0005 .0005 .0005
SiT1 -.0169 -.0169 -.0169 .28 .0065 .0065 .0065 .0065 .0005 .0005 .0005
FeT1 -.0169 -.0169 -.0169 .12 .0065 .0065 .0065 .0065 .0005 .0005 .0005
AlT2 .375 0 .25 .68 .0066 .0016 .0090 .0090 0 0 0
SiT2 .375 0 .25 .32 .0066 .0016 .0090 .0090 0 0 0
O1 .0628 .0628 .0628 .0178 .0178 .0178 .0178 .0096 .0096 .0096
O2 .0308 .0500 .6488 .0120 .0088 .0122 .0151 .0020 .0014 -.0005
Cl .125 .5 .25 .92 .0189 .0078 .0244 .0244 0 0 0
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Wadalite
Mihajlovic T, Lengauer C L, Ntaflos T, Lolitsch U, Tillmanns E
Neues Jahrbuch fur Mineralogie, Abhandlungen 179 (2004) 265-294
Two new minerals, rondorfite, Ca8Mg[SiO4]4Cl2, and almarudite,
K(box,Na)2(Mn,Fe,Mg)2(Be,Al)3[Si12O30], and a study of iron-rich wadalite,
Ca12[(Al8Si4Fe2)O32]C16, from the Bellerberg (Bellberg) volcano, Eifel, Germany
Locality: Bellerberg volcano lava field, 2 km N of Mayen,
Eastern Eifel volcanic area, Eifel, Germany
_database_code_amcsd 0014725
12.0343 12.0343 12.0343 90 90 90 I-43d
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaM .10461 0 .25 .00965 .00924 .00832 .01138 0 0 .00175
SiT2 .23312 .23312 .23312 .485 .0058 .00583 .00583 .00583 .00034 .00034 .00034
AlT2 .23312 .23312 .23312 .331 .0058 .00583 .00583 .00583 .00034 .00034 .00034
FeT2 .23312 .23312 .23312 .165 .0058 .00583 .00583 .00583 .00034 .00034 .00034
TiT2 .23312 .23312 .23312 .019 .0058 .00583 .00583 .00583 .00034 .00034 .00034
AlT1 .375 0 .25 .788 .0074 .0057 .00820 .00820 0 0 0
SiT1 .375 0 .25 .050 .0074 .0057 .00820 .00820 0 0 0
FeT1 .375 0 .25 .049 .0074 .0057 .00820 .00820 0 0 0
MgT1 .375 0 .25 .113 .0074 .0057 .00820 .00820 0 0 0
O1 .06319 .06319 .06319 .0142 .0142 .0142 .0142 .0033 .0033 .0033
O2 .03132 .05061 .64877 .0130 .0130 .0108 .0152 .0011 -.0020 .0015
Cl1 .875 0 .25 .949 .0206 .0085 .0267 .0267 0 0 0
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