Rossmanite
Selway J B, Novak M, Hawthorne F C, Cerny P, Ottolini L, Kyser T K
American Mineralogist 83 (1998) 896-900
Rossmanite, _(LiAl2)Al6(Si6O18)(BO3)3(OH)4, a new alkali-deficient tourmaline:
Description and crystal structure
Locality: Rozna, Moravia, Czech Republic
_database_code_amcsd 0002029
15.770 15.770 7.085 90 90 120 R3m
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
NaX 0 0 .84080 .43 .0237 .0237 .0193 .01185 0 0
AlY .06084 .93916 .4373 .72 .0051 .0051 .0079 .0014 .0012 -.0012
LiY .06084 .93916 .4373 .28 .0051 .0051 .0079 .0014 .0012 -.0012
AlZ .25942 .29637 .4656 .0069 .0046 .0045 .0029 -.0010 -.0001
SiT .18965 .19163 .0721 .0041 .0045 .0050 .0021 .0005 .0002
B .89078 .10922 .6198 .0053 .0053 .0051 .0021 .0000 .0000
OH1 0 0 .3015 .83 .0216 .0216 .0082 .0108 0 0
F1 0 0 .3015 .10 .0216 .0216 .0082 .0108 0 0
O1 0 0 .3015 .07 .0216 .0216 .0082 .0108 0 0
O2 .93952 .06048 .5809 .0138 .0138 .0108 .0112 -.0001 .0001
OH3 .12998 .87002 .5647 .0095 .0095 .0065 -.0012 .0011 -.0011
O4 .90516 .09484 -.0017 .0066 .0066 .0083 -.0001 -.0003 .0003
O5 .09386 .90614 -.0229 .0075 .0075 .0077 -.0001 -.0010 .0010
O6 .18346 .19363 .2988 .0081 .0079 .0051 .0034 .0003 .0000
O7 .28630 .28694 -.0034 .0054 .0062 .0061 .0017 .0014 -.0003
O8 .27035 .20965 .6359 .0087 .0049 .0079 .0035 -.0031 -.0009
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Rossmanite
Ertl A, Rossman G R, Hughes J M, Prowatke S, Ludwig T
American Mineralogist 90 (2005) 481-487
Mn-bearing "oxy-rossmanite" with tetrahedrally-coordinated Al and B from
Austria: Structure, chemistry, and infrared and optical spectroscopic study
Sample: REDT1
Reported formula: (Na.46 Ca.01) (Al2.37 Li.33 Mn2+.25 Fe2+.04 Ti4+.01) Al6
(Si5.47 Al.28 B.25) O18 (BO3)3 [(OH)2.85 O.15] [O.86 (OH).10 F.04]
Tourmaline
Locality: Eibenstein an der Thaya, Lower Austria
_database_code_amcsd 0003738
15.8031 15.8031 7.0877 90 90 120 R3m
atom x y z occ Uiso
NaX 0 0 .25 .46 .0275
CaX 0 0 .25 .01 .0275
AlY .12146 .06073 -.3362 .790 .00814
LiY .12146 .06073 -.3362 .110 .00814
Mn2Y .12146 .06073 -.3362 .083 .00814
Fe2Y .12146 .06073 -.3362 .013 .00814
Ti4Y .12146 .06073 -.3362 .003 .00814
AlZ .29651 .25999 -.3643 .00762
SiT .19154 .18958 .0303 .912 .00598
BT .19154 .18958 .0303 .042 .00598
AlT .19154 .18958 .0303 .047 .00598
B .10956 .21912 .4803 .0077
O1 0 0 -.2052 .86 .0149
OH1 0 0 -.2052 .10 .0149
F1 0 0 -.2052 .04 .0149
O2 .06065 .12131 .5205 .0130
O3 .25787 .12893 -.4636 .0126
O4 .09524 .19049 .1043 .0124
O5 .18806 .09403 .1258 .0127
O6 .19340 .18302 -.1974 .00945
O7 .28717 .28662 .1044 .00906
O8 .20959 .27052 .4649 .00910
H3 .251 .1256 .423 .95 .053
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
Rossmanite
Ertl A, Rossman G R, Hughes J M, Prowatke S, Ludwig T
American Mineralogist 90 (2005) 481-487
Mn-bearing "oxy-rossmanite" with tetrahedrally-coordinated Al and B from
Austria: Structure, chemistry, and infrared and optical spectroscopic study
Sample: REDT4
Reported formula: (Na.46 Ca.01) (Al2.35 Li.32 Mn2+.28 Fe2+.04 Ti4+.01) Al6
(Si5.51 Al.25 B.24) O18 (BO3)3 [(OH)2.80 O.20] [O.86 (OH).10 F.04]
Tourmaline
Locality: Eibenstein an der Thaya, Lower Austria
_database_code_amcsd 0003739
15.8171 15.8171 7.0935 90 90 120 R3m
atom x y z occ Uiso
NaX 0 0 .25 .46 .0278
CaX 0 0 .25 .01 .0278
AlY .12150 .06075 -.3364 .783 .0087
LiY .12150 .06075 -.3364 .107 .0087
Mn2Y .12150 .06075 -.3364 .093 .0087
Fe2Y .12150 .06075 -.3364 .013 .0087
Ti4Y .12150 .06075 -.3364 .004 .0087
AlZ .29652 .26001 -.3646 .00795
SiT .19152 .18960 .0302 .918 .00585
AlT .19152 .18960 .0302 .042 .00585
BT .19152 .18960 .0302 .040 .00585
B .10969 .21937 .4801 .0084
O1 0 0 -.2049 .86 .0148
OH1 0 0 -.2049 .10 .0148
F1 0 0 -.2049 .04 .0148
O2 .06064 .12128 .5202 .0134
O3 .25794 .12897 -.4638 .0128
O4 .09530 .19060 .1038 .0133
O5 .18804 .09402 .1252 .0138
O6 .19336 .18311 -.1976 .0101
O7 .28715 .28675 .1038 .0093
O8 .20954 .27049 .4646 .0098
H3 .246 .1231 .415 .933 .054
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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