Arrojadite-(SrFe) Camara F, Oberti R, Chopin C, Medenbach O American Mineralogist 91 (2006) 1249-1259 The arrojadite enigma: I. A new formula and a new model for the arrojadite structure Sample: Horrsjoberg, Varmland, Sweden _database_code_amcsd 0004191 16.3992 9.9400 24.4434 90 105.489 90 Cc atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) Na1 -.0051 .0074 .0028 2.03 .0022 .0031 .0009 .0005 -.0003 .0002 Na2 .1325 .5174 .1216 3.12 .0055 .0035 .0006 .0004 -.0007 -.0002 K -.2307 .2158 .0215 .03 1.21 .0011 .0029 .0007 -.0006 .0005 -.0005 Ca -.2307 .2158 .0215 .59 1.21 .0011 .0029 .0007 -.0006 .0005 -.0005 Na -.2307 .2158 .0215 .15 1.21 .0011 .0029 .0007 -.0006 .0005 -.0005 Ba -.2307 .2158 .0215 .20 1.21 .0011 .0029 .0007 -.0006 .0005 -.0005 Pb -.2307 .2158 .0215 .03 1.21 .0011 .0029 .0007 -.0006 .0005 -.0005 SrA1 -.0013 .5016 -.2442 .93 2.07 .0014 .0036 .0017 -.0001 .0009 -.0001 NaB2 -.1288 .4861 -.1195 .4 1.76 .0027 .0027 .0005 .0011 -.0001 .0002 FeB1 -.2993 .5494 -.0402 .1 3.39 MnB1 -.2993 .5494 -.0402 .1 3.39 NaB1 -.2993 .5494 -.0402 .13 3.39 FeB1x -.2513 .5184 -.0721 .1 1.72 MnB1x -.2513 .5184 -.0721 .1 1.72 NaB1x -.2513 .5184 -.0721 .13 1.72 FeB1y -.2352 .5148 -.0798 .1 .85 MnB1y -.2352 .5148 -.0798 .1 .85 NaB1y -.2352 .5148 -.0798 .13 .85 FeM1 -.2290 .8860 .0225 .67 .93 .0008 .0024 .0005 .0002 .0003 .0002 MnM1 -.2290 .8860 .0225 .33 .93 .0008 .0024 .0005 .0002 .0003 .0002 FeM2a -.2850 .4866 -.2306 .67 1.48 .0020 .0023 .0006 .0000 .0000 .0000 MnM2a -.2850 .4866 -.2306 .33 1.48 .0020 .0023 .0006 .0000 .0000 .0000 MgM2b .2877 .5118 .2345 .9 .91 .0010 .0021 .0004 -.0001 .0001 .0000 FeM2b .2877 .5118 .2345 .07 .91 .0010 .0021 .0004 -.0001 .0001 .0000 MnM2b .2877 .5118 .2345 .03 .91 .0010 .0021 .0004 -.0001 .0001 .0000 MgM3a -.1115 -.0134 -.1383 .9 .89 .0009 .0020 .0004 -.0001 .0001 -.0001 FeM3a -.1115 -.0134 -.1383 .07 .89 .0009 .0020 .0004 -.0001 .0001 -.0001 MnM3a -.1115 -.0134 -.1383 .03 .89 .0009 .0020 .0004 -.0001 .0001 -.0001 MgM3b .1000 1.0167 .1437 .9 .87 .0010 .0019 .0004 .0000 .0001 .0000 FeM3b .1000 1.0167 .1437 .07 .87 .0010 .0019 .0004 .0000 .0001 .0000 MnM3b .1000 1.0167 .1437 .03 .87 .0010 .0019 .0004 .0000 .0001 .0000 FeM4a -.0225 .2559 .1024 .67 .86 .0007 .0019 .0005 .0001 .0003 .0001 MnM4a -.0225 .2559 .1024 .33 .86 .0007 .0019 .0005 .0001 .0003 .0001 MgM4b .0208 .7546 -.0947 .9 .96 .0009 .0023 .0005 .0002 .0002 .0001 FeM4b .0208 .7546 -.0947 .07 .96 .0009 .0023 .0005 .0002 .0002 .0001 MnM4b .0208 .7546 -.0947 .03 .96 .0009 .0023 .0005 .0002 .0002 .0001 FeM5a .0310 .2565 -.0967 .67 .78 .0007 .0023 .0003 -.0001 .0002 -.0001 MnM5a .0310 .2565 -.0967 .33 .78 .0007 .0023 .0003 -.0001 .0002 -.0001 FeM5b -.0377 .7450 .1024 .67 .90 .0008 .0025 .0004 .0000 .0002 .0000 MnM5b -.0377 .7450 .1024 .33 .90 .0008 .0025 .0004 .0000 .0002 .0000 FeM6a -.2092 .7012 .1502 .67 .88 .0009 .0026 .0003 .0002 .0001 .0000 MnM6a -.2092 .7012 .1502 .33 .88 .0009 .0026 .0003 .0002 .0001 .0000 FeM6b -.2976 .8035 -.1458 .67 1.27 .0011 .0046 .0004 .0006 .0001 -.0001 MnM6b -.2976 .8035 -.1458 .33 1.27 .0011 .0046 .0004 .0006 .0001 -.0001 FeM7a -.2848 .2129 -.1532 .67 1.01 .0009 .0033 .0004 -.0003 .0002 .0001 MnM7a -.2848 .2129 -.1532 .33 1.01 .0009 .0033 .0004 -.0003 .0002 .0001 FeM7b -.2221 .7054 -.3393 .67 1.09 .0010 .0036 .0004 .0005 .0002 -.0001 MnM7b -.2221 .7054 -.3393 .33 1.09 .0010 .0036 .0004 .0005 .0002 -.0001 Al -.0045 .5031 .0013 .71 .0007 .0017 .0004 .0000 .0002 .0000 P1 -.1194 1.0128 .1338 .66 .0007 .0015 .0003 .0000 .0002 .0000 P1x -.4217 .5041 -.1621 .92 .0010 .0021 .0005 -.0001 .0003 .0000 P2a -.1356 .4645 .0762 .86 .0007 .0018 .0006 -.0002 .0003 -.0002 P2b .1267 .5377 -.0747 .68 .0006 .0019 .0003 .0001 .0001 .0001 P3a -.1296 .7542 -.0374 .77 .0006 .0022 .0003 .0003 .0002 .0001 P3b -.3801 .7508 .0405 .63 .0006 .0016 .0003 .0000 .0001 .0000 P4a -.1103 .2398 -.0474 .72 .0007 .0017 .0003 -.0002 .0002 -.0001 P4b .0985 .7731 .0488 .68 .0006 .0014 .0004 .0001 .0001 -.0001 P5a .1238 .7233 .2154 .69 .0007 .0016 .0003 .0000 .0001 .0000 P5b -.1291 .2737 -.2100 .68 .0007 .0017 .0003 -.0001 .0001 .0000 P6a .1388 .3009 .2107 .81 .0010 .0017 .0003 .0000 .0001 -.0001 P6b -.1454 .6980 -.2001 1.15 .0009 .0017 .0007 .0001 -.0002 -.0003 O1a -.4819 .4382 -.1317 1.11 .0010 .0030 .0006 .0000 .0005 .0002 O1b -.0320 .0652 .1325 .98 .0007 .0023 .0006 .0000 .0003 .0002 O2a -.3874 .6355 -.1311 1.09 .0013 .0021 .0006 -.0003 .0005 -.0004 O2b -.1153 .8602 .1426 1.08 .0012 .0017 .0007 -.0001 .0004 .0003 O3 .3481 .5866 .1789 1.32 .0017 .0030 .0007 .0002 .0008 -.0001 O4 -.1849 1.0409 .0767 1.18 .0011 .0029 .0005 .0002 -.0001 .0002 O3x -.4750 .5311 -.2242 1.86 .0014 .0080 .0005 .0002 .0002 .0003 O4x -.3463 .4179 -.1645 1.38 .0014 .0024 .0010 .0001 .0008 -.0001 O5a -.0526 .4438 .0582 .88 .0008 .0024 .0005 -.0004 .0003 -.0002 O5b .0478 .5620 -.0529 .83 .0008 .0025 .0004 .0005 .0003 .0002 O6a -.1303 .6004 .1058 1.32 .0012 .0022 .0010 -.0002 .0006 -.0003 O6b .1173 .4060 -.1069 1.09 .0011 .0024 .0007 -.0003 .0005 -.0005 O7a -.1317 .3445 .1176 1.68 .0015 .0034 .0012 .0007 .0010 .0009 O7b -.3744 .1602 -.1129 .98 .0009 .0024 .0006 .0003 .0005 .0005 O8a -.2143 .4450 .0267 2.13 .0008 .0079 .0010 -.0004 .0001 -.0010 O8b -.2924 1.0399 -.0261 1.06 .0007 .0032 .0005 .0001 .0000 .0002 O9a -.0870 .8364 -.0749 1.07 .0012 .0030 .0005 .0002 .0004 .0004 O9b -.4189 .6715 .0812 .96 .0009 .0024 .0005 .0001 .0003 .0002 O10a -.1005 .6077 -.0340 .91 .0009 .0023 .0004 .0002 .0001 .0000 O10b .0905 .3974 .0372 .92 .0010 .0015 .0005 .0002 .0002 .0001 O11a -.1093 .8196 .0224 1.05 .0012 .0031 .0004 .0004 .0002 -.0001 O11b -.4021 .6837 -.0173 1.12 .0014 .0031 .0003 .0004 .0001 -.0002 O12a -.2265 .7592 -.0599 1.20 .0006 .0040 .0006 .0005 .0001 .0003 O12b -.2827 .7555 .0651 1.02 .0006 .0031 .0005 -.0001 .0001 .0003 O13a -.0527 .3626 -.0482 .86 .0009 .0019 .0005 -.0006 .0003 -.0002 O13b .0418 .6479 .0496 .82 .0010 .0019 .0004 -.0001 .0003 -.0001 O14a -.0756 .1340 -.0813 1.04 .0012 .0021 .0005 -.0003 .0003 -.0004 O14b .0627 .8754 .0834 .94 .0010 .0020 .0005 -.0001 .0002 -.0003 O15a -.1006 .1897 .0133 1.15 .0016 .0027 .0004 -.0001 .0003 .0001 O15b .0918 .8235 -.0110 1.25 .0018 .0030 .0003 -.0007 .0002 .0000 O16a -.2031 .2734 -.0738 1.21 .0007 .0040 .0006 .0000 .0001 -.0001 O16b .1898 .7361 .0788 1.23 .0007 .0033 .0006 .0002 -.0001 -.0003 O17a .0421 .6713 .1749 1.15 .0009 .0032 .0005 -.0003 -.0001 .0001 O17b -.0464 .3248 -.1700 1.17 .0009 .0030 .0006 -.0003 .0000 .0001 O18a .1253 .3280 -.2254 1.22 .0014 .0033 .0004 .0002 .0003 -.0001 O18b -.1328 .3307 -.2685 1.07 .0014 .0025 .0003 -.0003 .0000 .0002 O19a .1298 .8781 .2132 1.41 .0020 .0020 .0005 -.0004 .0000 .0000 O19b -.1332 .1187 -.2088 1.33 .0017 .0017 .0006 -.0006 -.0001 .0002 O20a .1994 .6649 .1972 1.22 .0009 .0036 .0007 .0003 .0004 -.0001 O20b -.2057 .3275 -.1901 1.18 .0009 .0039 .0005 .0002 .0003 .0000 O21a .0550 .3501 .1717 1.24 .0010 .0033 .0005 .0004 -.0001 -.0001 O21b -.0586 .6555 -.1632 1.19 .0009 .0028 .0006 .0004 .0000 -.0002 O22a .1447 .6457 -.2299 1.54 .0020 .0040 .0004 -.0009 .0000 .0003 O22b -.1558 .6368 -.2591 3.28 .0050 .0044 .0007 .0028 -.0011 -.0013 O23a .1445 .1469 .2097 1.13 .0015 .0019 .0005 .0000 .0001 .0000 O23b -.1544 .8517 -.2015 1.33 .0018 .0016 .0005 .0002 -.0002 -.0003 O24a .2130 .3567 .1890 1.43 .0013 .0037 .0007 -.0004 .0002 .0004 O24b -.2178 .6397 -.1765 2.31 .0009 .0033 .0021 -.0003 .0005 .0000 OW1 -.2342 1.0092 -.1390 .1 1.76 .0010 .0054 .0010 .0002 .0004 -.0003 FW1 -.2342 1.0092 -.1390 .9 1.76 .0010 .0054 .0010 .0002 .0004 -.0003 OW2 -.2750 .5005 .1423 1.51 .0009 .0038 .0010 .0000 .0002 -.0001 HW1 -.274 1.018 -.126 .1 .50 HW2 -.279 .498 .107 1.20 HO3x .468 .469 .229 1.20