Martinite McDonald A M, Chao G Y The Canadian Mineralogist 45 (2007) 1281-1292 Martinite, a new hydrated sodium calcium fluorborosilicate species from Mont Saint-Hilaire, Quebec: description, structure determination and genetic implications Note: changed F(y) to match reported bond distances Locality: Poudrette quarry, Mont Saint-Hilaire, Rouville County, Quebec, Canada _database_code_amcsd 0006158 9.5437 9.5349 14.0268 108.943 74.154 119.780 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) Na1 .5 .5 .5 .0128 .013 .010 .017 .006 -.003 .003 Na2 .1472 .9626 .9138 .86 .055 .030 .057 .027 -.014 -.006 .002 Na3 .3646 .1039 .0907 .81 .062 .044 .143 .027 .064 .012 .030 Na4 .7988 .5957 .2424 .0247 .021 .019 .035 .0071 -.0064 .0073 Na5 .2217 .0794 .4938 .51 .0137 .0123 .0095 .0192 .0039 -.0038 .0033 Ca5 .2217 .0794 .4938 .49 .0137 .0123 .0095 .0192 .0039 -.0038 .0033 Na6a .5980 .4280 .9084 .34 .039 .065 .029 .022 .027 .002 .004 Na6b .5993 .4843 .9772 .45 .095 .120 .052 .106 .014 -.041 .003 Ca1 .9210 .6498 .51495 .0125 .0098 .0082 .0174 .0023 -.0023 .0028 Ca2 .3542 .7881 .49742 .80 .0120 .0086 .0101 .0170 .0031 .0019 .0046 Na .3542 .7881 .49742 .20 .0120 .0086 .0101 .0170 .0031 .0019 .0046 Si1 .4544 .7607 .7078 .0114 .0087 .0095 .0174 .0041 -.0031 .0035 Si2 .5898 .5189 .7142 .0111 .0095 .0073 .0161 .0027 -.0025 .0034 Si3 .9664 .0103 .7118 .0121 .0093 .0078 .0184 .0020 -.0032 .0039 Si4 .6572 .8555 .2880 .0114 .0087 .0072 .0173 .0016 -.0026 .0041 Si5 .1576 .7450 .2969 .0117 .0090 .0075 .0186 .0026 -.0031 .0037 Si6 .0822 .6296 .7061 .0111 .0087 .0068 .0167 .0018 -.0024 .0037 Si7 .5249 .1030 .8299 .58 .0114 .0074 .0073 .0201 .0019 -.0026 .0056 B7 .5249 .1030 .8299 .42 .0114 .0074 .0073 .0201 .0019 -.0026 .0056 B .8556 .7646 .8274 .014 .008 .006 .029 .003 -.001 .006 F .7650 .6626 .4225 .0225 .024 .021 .022 .009 -.005 .003 O1 .0998 .6189 .5878 .0187 .013 .021 .019 .003 -.002 .009 O2 .1730 .8013 .4153 .0190 .020 .016 .021 .008 -.007 .001 O3 .3896 .0674 .5969 .0183 .018 .014 .016 .004 -.001 .002 O4 .6748 .4869 .6005 .0228 .021 .019 .019 .006 .003 .004 O5 .5120 .7745 .5929 .0202 .017 .025 .021 .009 -.002 .008 O6 .9588 .9167 .5956 .030 .047 .024 .025 .022 -.015 -.004 O7 .7419 .3085 .2590 .0163 .010 .016 .024 .006 -.004 .003 O8 .5580 .6530 .2563 .0160 .014 .010 .024 .002 -.006 .006 O9 .3664 .0743 .7955 .0182 .014 .016 .028 .003 -.005 .013 O10 .0089 .7533 .7795 .0205 .012 .011 .037 .005 -.003 .003 O11 .1531 .1118 .7390 .0191 .007 .015 .033 .002 -.003 .008 O12 .4926 .6294 .7335 .0180 .013 .011 .033 .006 -.005 .007 O13 .0885 .8430 .2608 .0167 .014 .012 .027 .006 -.003 .008 O14 .8529 .8952 .7917 .0241 .014 .018 .045 .006 .006 .022 O15 .7101 .6048 .8007 .0168 .014 .009 .025 -.002 -.009 .007 O16 .0249 .5524 .2668 .0181 .014 .009 .031 .002 -.004 .008 O17 .3281 .7646 .2255 .0202 .011 .014 .035 .006 .004 .010 O18 .5368 .9332 .7906 .0192 .013 .011 .033 .005 -.010 .000 O19 .5210 .1595 .9436 .034 .042 .032 .036 .020 -.002 .019 OH20 .8492 .8198 .9379 .032 .027 .027 .028 .004 -.005 -.001 Wat21 .8416 .5423 .0441 .082 .096 .059 .081 .043 .036 .031 Wat22 .1918 .8225 .0038 .086 .082 .070 .102 .043 .016 .022