Delindeite
Ferraris G, Ivaldi G, Pushcharovsky D Y, Zubkova N V, Pekov I V
The Canadian Mineralogist 39 (2001) 1307-1316
The crystal structure of delindeite, Ba2{(Na,K,_)3(Ti,Fe)[Ti2(O,OH)4Si4O14](H2O,OH)2},
a member of the mero-plesiotype bafertisite series
_database_code_amcsd 0005741
5.327 6.856 21.51 90 93.80 90 A2/m
atom x y z occ Uiso
Ba .2539 0 .27141 .96 .017
Ba' .254 0 .221 .02 .015
Ba" .261 0 .320 .02 .015
Ti(1) 0 0 0 .015
Ti(2) .2731 1/2 .3453 .057
Si .7891 -.2298 .3788 .020
Na(1) -.055 0 .503 .24 .029
Na(2) 1/2 -.246 1/2 .56 .030
O(1) .827 -.299 .4510 .029
O(2) .097 0 .6252 .54 .022
O(2') .326 0 .616 .46 .032
O(3) .527 -.297 .3461 .061
O(4) .012 -.302 .3399 .072
O(5) -.272 0 .0596 .028
O(6) .260 .059 .7577 .50 .022
Wat(7) .287 0 .440 .58 .048
Wat(7') .252 0 .476 .38 .032
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Delindeite
Sokolova E, Camara F
The Canadian Mineralogist 45 (2007) 1247-1261
From structure topology to chemical composition. II. Titanium silicates:
revision of the crystal structure and chemical formula of delindeite
Locality: Mt. Yuksporr, Khibina alkaline massif, Kola Peninsula, Russia
_database_code_amcsd 0006156
10.6968 13.7535 21.5758 90 93.975 90 C2/c
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba11 .37632 .12358 .02637 .80 .01197 .00937 .0115 .01483 -.0010 -.00034 .00405
K11 .37632 .12358 .02637 .08 .01197 .00937 .0115 .01483 -.0010 -.00034 .00405
Ba12 .3791 .1486 .0268 .05 .01197 .0094 .01154 .0148 -.00103 -.00034 .00405
Ba13 .3687 .1080 .0173 .07 .01197 .0094 .01154 .0148 -.0010 -.00034 .00405
Ba2 .87711 .12669 .01767 .01197 .0094 .01154 .0148 -.00103 -.00034 .00405
Na1 0 .0035 .25 .62 .0141 .0061 .020 .017 0 .0036 0
Mn1 0 .0035 .25 .02 .0141 .0061 .020 .017 0 .0036 0
Fe1 0 .0035 .25 .06 .0141 .0061 .020 .017 0 .0036 0
Na2 0 .2466 .25 .64 .0141 .0061 .020 .017 0 .0036 0
Mn2 0 .2466 .25 .02 .0141 .0061 .020 .017 0 .0036 0
Fe2 0 .2466 .25 .04 .0141 .0061 .020 .017 0 .0036 0
Na3 .2733 .1240 .2459 .7 .0244 .043 .013 .016 .010 -.010 -.0043
K .3797 .1275 .2255 .18 .033 .035 .027 .035 -.005 -.009 .002
TiM1 .38757 .85893 .09448 .94 .0240 .0020 .0042 .0654 .0002 -.0012 .0012
NbM1 .38757 .85893 .09448 .035 .0240 .0020 .0042 .0654 .0002 -.0012 .0012
AlM1 .38757 .85893 .09448 .025 .0240 .0020 .0042 .0654 .0002 -.0012 .0012
TiM2 .88604 .89329 .09518 .94 .0238 .0024 .0046 .0639 .0002 -.0000 .0002
NbM2 .88604 .89329 .09518 .035 .0238 .0024 .0046 .0639 .0002 -.0000 .0002
AlM2 .88604 .89329 .09518 .025 .0238 .0024 .0046 .0639 .0002 -.0000 .0002
TiM3 .25190 .87424 .25012 .82 .0132 .0200 .0081 .0106 .0013 -.0056 .0008
FeM3 .25190 .87424 .25012 .12 .0132 .0200 .0081 .0106 .0013 -.0056 .0008
NbM3 .25190 .87424 .25012 .06 .0132 .0200 .0081 .0106 .0013 -.0056 .0008
Si1 .6349 .00912 .12935 .0111 .0135 .0107 .0085 -.0066 -.0031 .0056
Si2 .13225 .73988 .12996 .0091 .0064 .0053 .0153 -.0051 -.0016 .0053
Si3 .6546 .73819 .12726 .0106 .0142 .0026 .0147 .0039 -.0021 .0027
Si4 .15760 .00927 .12797 .0078 .0043 .0113 .0076 .0042 -.0007 .0038
O1 .5170 .9602 .0896 .0151 .016 .014 .015 .002 -.001 -.005
O2 .7599 .9979 .0931 .0192 .006 .027 .024 .001 -.000 .020
O3 .6512 .9714 .2002 .0163 .023 .020 .005 -.001 -.006 .003
O4 .5944 .1267 .1341 .0179 .020 .008 .025 -.003 -.003 -.001
O5 .2578 .7563 .0948 .0190 .012 .018 .028 -.007 .008 .006
O6 .0136 .7907 .0929 .0198 .005 .033 .022 .009 -.003 -.009
O7 .1540 .7789 .2009 .0218 .031 .012 .022 -.010 .001 -.002
O8 .7505 .7946 .0844 .0199 .016 .022 .023 -.002 .003 -.001
O9 .6737 .7705 .1998 .0153 .021 .010 .015 -.005 .004 -.002
O10 .5130 .7549 .1008 .0138 .003 .009 .029 .0016 -.001 .002
O11 .2997 .6251 .3746 .0139 .013 .010 .019 -.003 -.000 .001
O12 .0152 .9986 .1012 .0252 .016 .039 .019 -.006 -.009 .013
O13 .1751 .9801 .2007 .0158 .018 .025 .004 .004 -.003 .002
O14 .2560 .9573 .0850 .0132 .012 .019 .009 .008 -.002 .003
O15 .3838 .8486 .0079 .765 .0202 .007 .047 .007 .002 -.0014 -.001
OH15 .3838 .8486 .0079 .235 .0202 .007 .047 .007 .002 -.0014 -.001
O16 .8794 .9031 .0082 .765 .0130 .009 .016 .013 -.001 -.002 .006
OH16 .8794 .9031 .0082 .235 .0130 .009 .016 .013 -.001 -.002 .006
OH17 .3870 .8666 .1906 .66 .0158 .017 .014 .017 -.000 .003 -.000
F17 .3870 .8666 .1906 .33 .0158 .017 .014 .017 -.000 .003 -.000
OH18 .1173 .8837 .3094 .66 .0190 .016 .028 .014 .002 .002 -.001
F18 .1173 .8837 .3094 .33 .0190 .016 .028 .014 .002 .002 -.001
Wat19 .1023 .1258 .3056 .045 .042 .054 .049 .003 .010 -.003
Wat21 0 .777 .25 .46 .048 .042 .054 .049 .003 .010 -.003
Wat22 .5 .126 .25 .5 .048 .042 .054 .049 .003 .010 -.003
Wat20 .5 .985 .25 .44 .045 .042 .054 .049 .003 .010 -.003
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