Nechelyustovite Camara F, Sokolova E Mineralogical Magazine 73 (2009) 753-775 From structure topology to chemical composition. X. Titanium silicates: the crystal structure and crystal chemistry of nechelyustovite, a group III Ti-disilicate mineral Locality: hydrothermally altered pegmatite, Kirovskii mine, Mt Kukisvumchorr, Khibina alkaline massif, Kola peninsula, Russia _database_code_amcsd 0014594 5.447 7.157 47.259 97.759 92.136 89.978 P-1 atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) TiMO(1) .808 .888 .3336 .67 .022 .020 .006 .041 .001 -.013 .003 MnMO(1) .808 .888 .3336 .33 .022 .020 .006 .041 .001 -.013 .003 TiMO(2) .915 .253 .1266 .025 .027 .022 .023 -.002 -.012 .002 NaMO(3) .803 .392 .3399 .70 .005 NaMO(4) .932 .757 .1240 .70 .007 NaMO(5) .300 .130 .3359 .46 .012 MnMO(5) .300 .130 .3359 .37 .012 CaMO(5) .300 .130 .3359 .10 .012 NaMO(6) .304 .645 .3360 .50 .010 MnMO(6) .304 .645 .3360 .28 .010 CaMO(6) .304 .645 .3360 .22 .010 NaMO(7) .427 .005 .1246 .65 .021 .015 .021 .029 .008 .014 .009 MnMO(7) .427 .005 .1246 .20 .021 .015 .021 .029 .008 .014 .009 CaMO(7) .427 .005 .1246 .08 .021 .015 .021 .029 .008 .014 .009 NaMO(8) .430 .496 .1243 .69 .020 .005 .014 .04 .003 .009 -.003 MnMO(8) .430 .496 .1243 .26 .020 .005 .014 .04 .003 .009 -.003 NbMH(1) .270 .7136 .0600 .66 .022 .014 .016 .036 -.003 .002 .004 TiMH(1) .270 .7136 .0600 .34 .022 .014 .016 .036 -.003 .002 .004 NbMH(2) .468 .4356 .4007 .57 .025 .017 .022 .037 -.001 .006 .008 TiMH(2) .468 .4356 .4007 .43 .025 .017 .022 .037 -.001 .006 .008 TiMH(3) .126 .343 .2715 .96 .024 .011 .029 .033 -.000 -.005 .002 AlMH(3) .126 .343 .2715 .04 .024 .011 .029 .033 -.000 -.005 .002 TiMH(4) .597 .790 .1868 .74 .019 .009 .015 .034 -.000 .002 .007 NbMH(4) .597 .790 .1868 .20 .019 .009 .015 .034 -.000 .002 .007 Fe3+MH(4) .597 .790 .1868 .06 .019 .009 .015 .034 -.000 .002 .007 Si(1) .629 .635 .2757 .007 Si(2) .631 .083 .2766 .013 Si(3) .967 .142 .3930 .011 Si(4) .965 .712 .3935 .018 Si(5) .089 .507 .1838 .002 Si(6) .098 .084 .1839 .000 Si(7) .766 .4228 .0673 .014 Si(8) .775 .008 .06727 .021 BaAP(1) .1172 .8267 .2436 .59 .011 .005 .005 .023 -.001 .000 .000 SrAP(1) .1172 .8267 .2436 .23 .011 .005 .005 .023 -.001 .000 .000 KAP(1) .1172 .8267 .2436 .14 .011 .005 .005 .023 -.001 .000 .000 BaAP(2) .6115 .3069 .2149 .53 .005 .002 .005 .008 .001 .002 .003 SrAP(2) .6115 .3069 .2149 .21 .005 .002 .005 .008 .001 .002 .003 KAP(2) .6115 .3069 .2149 .12 .005 .002 .005 .008 .001 .002 .003 BaAP(3) .477 .954 .4318 .16 .012 SrAP(3) .477 .954 .4318 .06 .012 KAP(3) .477 .954 .4318 .04 .012 NaAP(4) .273 .218 .0505 .5 .013 O(1) .628 .656 .3093 .000 O(2) .383 .521 .2629 .000 O(3) .875 .537 .2656 .001 O(4) .593 .849 .2646 .009 O(5) .381 .151 .2620 .017 O(6) .611 .085 .3106 .001 O(7) .882 .139 .2625 .030 O(8) .716 .229 .4038 .027 O(9) .23922 .19603 .40394 .023 O(10) .970 .106 .3584 .005 O(11) .993 .943 .4054 .04 O(12) .737 .619 .4062 .05 O(13) .228 .632 .4052 .006 O(14) .972 .700 .3578 .019 O(15) .070 .463 .1494 .019 O(16) .872 .623 .1995 .000 O(18) .080 .304 .1987 .000 O(17) .352 .592 .1969 .025 O(19) .341 -.018 .1973 .000 O(20) .858 -.014 .1956 .000 O(21) .073 .068 .1502 .000 O(22) .013 .509 .0544 .007 O(23) .517 .516 .0564 .07 O(24) .802 .451 .1012 .017 O(25) .785 .2077 .0525 .006 O(26) .806 .029 .10082 .030 O(27) -.010 .892 .0505 .032 O(28) .522 .883 .0551 .012 OXOM(1) .286 .726 .0970 .012 OXOM(2) .464 .395 .3633 .03 OXOM(3) .148 .363 .3069 .003 OXOM(4) .583 .763 .1502 .018 OHXOA(1) .519 .908 .3589 .029 OHXOA(2) .083 .874 .3091 .002 OHXOA(3) .638 .263 .1478 .04 OHXOA(4) .227 .242 .1037 .012 WatXPM(1) .744 .313 -.0101 .04 WatXPM(2) .488 .472 .4507 .03 WatXPA(1) .262 .263 .0042 .043 WatXPA(2) .24177 .17071 .47177 .25 .03 WatXPA(3) .69676 .75637 .47072 .25 .06 Wat(1) -.008 .524 .4544 .055 Wat(2) .896 .328 .4976 .094 Wat(3) .17247 .00281 .49839 .5 .01