Hydroxylellestadite
Onac B P, Effenberger H, Ettinger K, Panzaru S P
American Mineralogist 91 (2006) 1927-1931
Hydroxylellestadite from Cioclovina Cave (Romania): Microanalytical,
structural, and vibrational spectroscopy data
Locality: Cioclovina Cave, Sureanu Mountains, Romania
_database_code_amcsd 0004257
9.496 9.496 6.920 90 90 120 P6_3/m
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1 1/3 2/3 .00183 .02887 .0372 .0372 .0123 .0186 0 0
Ca2 .24567 .99330 .25 .02440 .0276 .0281 .0173 .0138 0 0
SiT .39939 .37013 .25 .42 .01300 .0147 .0133 .0120 .0077 0 0
ST .39939 .37013 .25 .36 .01300 .0147 .0133 .0120 .0077 0 0
PT .39939 .37013 .25 .22 .01300 .0147 .0133 .0120 .0077 0 0
O1 .3276 .4848 .25 .0248 .0359 .0244 .0208 .0201 0 0
O2 .5879 .4659 .25 .0263 .0186 .0193 .0387 .0077 0 0
O3 .3460 .2592 .0696 .0328 .0521 .0305 .0244 .0271 -.0166 -.0070
OHZ 0 0 .1975 .41 .0347 .0170 .0170 .070 .0085 0 0
FZ 0 0 .1975 .045 .0347 .0170 .0170 .070 .0085 0 0
ClZ 0 0 .1975 .035 .0347 .0170 .0170 .070 .0085 0 0
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Hydroxylellestadite
Hughes J M, Drexler J W
Neues Jahrbuch fur Mineralogie, Monatshefte 1991 (1991) 327-336
Cation substitution in the apatite tetrahedral site:
crystal structures of type hydroxylellestadtite and type fermorite
Locality: Crestmore, California, USA
_database_code_amcsd 0014857
9.5224 9.5268 6.9087 90 90 119.9483 P2_1/m
atom x y z occ Biso
Ca1 .33440 .66806 .0019 2.45
Ca2a .0068 .2471 .25 .76 2.11
Ca2a' .0049 .2780 .25 .24 2.0
Ca2b .7516 .7591 .25 .76 2.20
Ca2b' .7205 .7295 .25 .24 1.7
Ca2c .2412 -.0057 .25 .76 2.02
Ca2c' .2735 -.0074 .25 .24 1.7
Si1 .6295 .0301 .25 .5 1.13
S6+1 .6295 .0301 .25 .5 1.09
Si2 -.0297 .5995 .25 .5 1.12
S6+2 -.0297 .5995 .25 .5 1.12
Si3 .4003 .3713 .25 .5 2.12
S6+3 .4003 .3713 .25 .5 2.12
O1a .3306 .4864 .25 2.17
O1b .5145 .8442 .25 2.17
O1c .1546 .6686 .25 2.19
O2a .5872 .4650 .25 2.28
O2b .5348 .1224 .25 2.10
O2c .8786 .4134 .25 2.37
O3a .3473 .2614 .0700 2.87
O3b .7398 .0874 .0690 2.77
O3c -.0863 .6520 .0694 2.85
OH -.0047 -.0010 .210 .34 2.6
F .004 -.003 .25 .08 1.9
Cl .0040 .0003 .340 .12 2.7
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