Dickinsonite-(KMnNa) 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: Branchville, Connecticut, USA _database_code_amcsd 0004192 16.6900 10.1013 24.8752 90 105.616 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) KA1 .0042 .5102 -.2399 .25 5.1 .0030 .0102 .0042 .0014 .0031 .0014 NaA1 .0042 .5102 -.2399 .25 5.1 .0030 .0102 .0042 .0014 .0031 .0014 KA1x -.0556 .4931 -.3034 .25 3.6 .0036 .0096 .0010 -.0016 -.0004 -.0004 NaA1x -.0556 .4931 -.3034 .25 3.6 .0036 .0096 .0010 -.0016 -.0004 -.0004 Na2 .1333 .5114 .1206 5.0 .0086 .0041 .0009 .0010 -.0017 -.0003 Na1 -.0030 .0014 .0018 2.38 .0027 .0036 .0009 .0006 -.0005 .0001 Ca -.2337 .2176 .0193 .51 1.12 .0010 .0029 .0006 -.0006 .0004 -.0004 Na -.2337 .2176 .0193 .42 1.12 .0010 .0029 .0006 -.0006 .0004 -.0004 Sr -.2337 .2176 .0193 .05 1.12 .0010 .0029 .0006 -.0006 .0004 -.0004 Pb -.2337 .2176 .0193 .01 1.12 .0010 .0029 .0006 -.0006 .0004 -.0004 Ba -.2337 .2176 .0193 .01 1.12 .0010 .0029 .0006 -.0006 .0004 -.0004 NaB2 -.1254 .4886 -.1195 .2 1.96 .0029 .0033 .0005 .0007 -.0002 .0000 MnB1 -.2932 .5581 -.0420 .6 3.18 .0018 .0100 .0015 .0016 .0003 .0020 FeB1 -.2932 .5581 -.0420 .2 3.18 .0018 .0100 .0015 .0016 .0003 .0020 NaB1 -.2932 .5581 -.0420 .2 3.18 .0018 .0100 .0015 .0016 .0003 .0020 NaA2 -.0213 .1802 .2319 .5 3.0 NaA2x' -.005 .130 .260 .5 4.0 Na3 -.5170 .6799 -.2640 .30 2.0 Na3x -.483 .652 -.226 .30 6.0 MnM1 -.2291 .8826 .0218 .7 .73 .0004 .0021 .0004 .0001 .0002 .0001 LiM1 -.2291 .8826 .0218 .3 .73 .0004 .0021 .0004 .0001 .0002 .0001 MnM2a -.2960 .4921 -.2274 .7 1.28 .0017 .0021 .0004 .0001 -.0001 -.0001 FeM2a -.2960 .4921 -.2274 .3 1.28 .0017 .0021 .0004 .0001 -.0001 -.0001 MnM2b .2839 .5029 .2338 .7 1.10 .0010 .0028 .0004 .0001 .0000 -.0001 FeM2b .2839 .5029 .2338 .3 1.10 .0010 .0028 .0004 .0001 .0000 -.0001 MnM3a -.1110 -.0130 -.1381 .7 .75 .0007 .0019 .0003 .0000 .0001 -.0001 FeM3a -.1110 -.0130 -.1381 .3 .75 .0007 .0019 .0003 .0000 .0001 -.0001 MnM3b .1024 1.0105 .1409 .7 .83 .0007 .0021 .0004 .0000 .0000 .0000 FeM3b .1024 1.0105 .1409 .3 .83 .0007 .0021 .0004 .0000 .0000 .0000 MnM4a -.0224 .2503 .0984 .7 .87 .0006 .0022 .0004 .0002 .0001 .0001 FeM4a -.0224 .2503 .0984 .3 .87 .0006 .0022 .0004 .0002 .0001 .0001 MnM4b .0207 .7529 -.0941 .7 .97 .0008 .0026 .0005 .0002 .0002 .0001 FeM4b .0207 .7529 -.0941 .3 .97 .0008 .0026 .0005 .0002 .0002 .0001 MnM5a .0297 .2514 -.0969 .7 .73 .0005 .0023 .0003 .0000 .0000 .0000 FeM5a .0297 .2514 -.0969 .3 .73 .0005 .0023 .0003 .0000 .0000 .0000 MnM5b -.0371 .7395 .1006 .7 1.04 .0007 .0034 .0004 .0000 .0001 .0001 FeM5b -.0371 .7395 .1006 .3 1.04 .0007 .0034 .0004 .0000 .0001 .0001 MnM6a -.2096 .6948 .1498 .7 .91 .0008 .0029 .0003 .0000 .0001 .0000 FeM6a -.2096 .6948 .1498 .3 .91 .0008 .0029 .0003 .0000 .0001 .0000 MnM6b -.2964 .8012 -.1463 .7 1.19 .0012 .0035 .0004 .0002 .0001 -.0001 FeM6b -.2964 .8012 -.1463 .3 1.19 .0012 .0035 .0004 .0002 .0001 -.0001 MnM7a -.2832 .2108 -.1525 .7 .90 .0007 .0027 .0004 -.0002 .0001 .0001 FeM7a -.2832 .2108 -.1525 .3 .90 .0007 .0027 .0004 -.0002 .0001 .0001 MnM7b -.2260 .7013 -.3403 .7 1.18 .0010 .0040 .0003 .0006 .0001 -.0001 FeM7b -.2260 .7013 -.3403 .3 1.18 .0010 .0040 .0003 .0006 .0001 -.0001 Al -.0043 .4983 .0017 .54 .0004 .0017 .0002 .0000 .0001 .0000 P1 -.1196 1.0072 .1330 .64 .0005 .0020 .0003 -.0002 .0001 -.0001 P1x -.4175 .5017 -.1591 1.27 .0014 .0028 .0007 -.0005 .0006 -.0002 P2a -.1337 .4621 .0772 .77 .0006 .0021 .0004 -.0001 .0002 .0000 P2b .1245 .5298 -.0753 .66 .0004 .0021 .0003 .0001 .0001 .0000 P3a -.1278 .7478 -.0363 .64 .0005 .0020 .0003 .0000 .0001 .0000 P3b -.3796 .7472 .0395 .72 .0005 .0020 .0003 .0000 .0001 .0001 P4a -.1072 .2348 -.0449 .67 .0005 .0018 .0003 -.0001 .0000 .0000 P4b .0998 .7654 .0486 .73 .0006 .0020 .0003 .0000 .0001 -.0001 P5a .1281 .7207 .2140 .82 .0007 .0023 .0003 .0000 .0000 .0001 P5b -.1321 .2795 -.2091 .73 .0007 .0017 .0003 .0001 .0000 .0000 P6a .1432 .2942 .2073 .89 .0008 .0022 .0003 .0002 -.0001 -.0001 P6b -.1475 .7043 -.2018 .89 .0010 .0018 .0003 .0002 -.0001 -.0001 O1a -.4781 .4384 -.1297 1.41 .0008 .0028 .0011 .0000 .0006 .0003 O1b -.0326 .0608 .1336 1.19 .0009 .0030 .0006 -.0001 .0002 .0002 O2a -.3905 .6375 -.1322 1.08 .0010 .0027 .0005 -.0002 .0004 -.0004 O2b -.1136 .8558 .1413 1.29 .0015 .0020 .0007 -.0005 .0004 .0001 O3 .3529 .5749 .1802 1.45 .0015 .0042 .0006 -.0007 .0005 -.0007 O4 -.1832 1.0377 .0775 1.27 .0009 .0031 .0006 .0000 -.0001 .0000 O3x -.4601 .5135 -.2214 5.3 .0070 .0174 .0005 -.0068 .0006 -.0009 O4x -.3402 .4199 -.1549 4.4 .0034 .0033 .0045 .0010 .0033 .0002 O5a -.0537 .4435 .0578 .86 .0007 .0022 .0005 -.0002 .0003 -.0001 O5b .0465 .5523 -.0538 .98 .0008 .0031 .0004 .0002 .0003 .0000 O6a -.1262 .5938 .1078 1.15 .0009 .0025 .0008 -.0002 .0007 -.0001 O6b .1159 .3990 -.1066 1.07 .0010 .0019 .0007 -.0001 .0003 -.0003 O7a -.1309 .3414 .1162 1.18 .0009 .0031 .0006 .0004 .0003 .0004 O7b -.3769 .1494 -.1137 1.03 .0008 .0026 .0006 .0002 .0004 .0004 O8a -.2128 .4503 .0298 1.59 .0005 .0070 .0005 .0000 -.0001 .0002 O8b -.2955 1.0319 -.0278 1.30 .0008 .0042 .0005 -.0001 .0000 .0000 O9a -.0829 .8341 -.0694 1.08 .0007 .0032 .0006 .0003 .0002 .0001 O9b -.4190 .6636 .0771 1.08 .0011 .0030 .0005 .0001 .0003 .0005 O10a -.0984 .6045 -.0352 1.06 .0008 .0028 .0005 .0001 .0001 .0000 O10b .0896 .3905 .0374 .98 .0008 .0020 .0005 .0003 .0001 .0001 O11a -.1102 .8063 .0232 1.27 .0011 .0037 .0005 .0007 .0003 .0000 O11b -.3987 .6854 -.0179 1.14 .0012 .0037 .0002 .0005 .0000 -.0002 O12a -.2228 .7542 -.0600 1.21 .0007 .0035 .0006 -.0002 .0000 .0000 O12b -.2841 .7514 .0645 1.09 .0003 .0036 .0006 .0003 .0001 .0005 O13a -.0528 .3576 -.0465 .81 .0007 .0021 .0004 -.0005 .0001 .0001 O13b .0440 .6416 .0491 .86 .0008 .0018 .0005 -.0001 .0002 -.0001 O14a -.0707 .1316 -.0771 1.08 .0009 .0026 .0005 .0001 .0002 -.0004 O14b .0615 .8697 .0794 1.01 .0009 .0022 .0005 -.0001 .0002 -.0002 O15a -.0970 .1878 .0149 1.15 .0014 .0028 .0004 -.0004 .0003 .0001 O15b .0988 .8119 -.0097 1.34 .0017 .0038 .0003 -.0011 .0002 .0000 O16a -.1988 .2629 -.0709 1.29 .0006 .0045 .0005 .0001 -.0001 -.0003 O16b .1895 .7324 .0808 1.43 .0006 .0038 .0008 .0003 -.0002 -.0002 O17a .0444 .6825 .1745 1.36 .0010 .0043 .0004 -.0001 -.0001 .0001 O17b -.0504 .3223 -.1678 1.33 .0007 .0046 .0005 -.0002 -.0001 .0001 O18a .1286 .3177 -.2271 1.49 .0016 .0043 .0006 .0002 .0005 -.0001 O18b -.1330 .3264 -.2675 1.16 .0011 .0040 .0002 -.0004 -.0001 .0001 O19a .1427 .8705 .2097 1.79 .0024 .0028 .0006 -.0002 -.0002 .0002 O19b -.1390 .1271 -.2081 1.35 .0016 .0020 .0005 -.0002 -.0001 .0000 O20a .1984 .6513 .1960 1.29 .0008 .0041 .0006 .0005 .0003 .0000 O20b -.2049 .3417 -.1901 1.15 .0009 .0033 .0005 -.0001 .0003 .0000 O21a .0584 .3362 .1706 1.81 .0012 .0050 .0007 .0011 -.0004 -.0004 O21b -.0637 .6622 -.1628 1.28 .0010 .0035 .0005 .0004 -.0001 -.0002 O22a .1579 .6486 -.2346 2.5 .0031 .0073 .0003 -.0027 -.0004 .0007 O22b -.1528 .6528 -.2599 2.6 .0039 .0054 .0004 .0029 -.0003 -.0007 O23a .1476 .1416 .2088 1.23 .0013 .0023 .0005 .0000 .0000 -.0001 O23b -.1538 .8562 -.2035 1.19 .0014 .0020 .0005 .0001 .0000 .0001 O24a .2129 .3461 .1820 1.59 .0016 .0032 .0008 -.0005 .0002 .0001 O24b -.2192 .6485 -.1798 1.62 .0009 .0030 .0011 -.0005 .0001 .0003 OW1 -.2356 1.0006 -.1337 .97 1.21 .0011 .0034 .0005 .0000 .0003 .0001 FW1 -.2356 1.0006 -.1337 .03 1.21 .0011 .0034 .0005 .0000 .0003 .0001 OW2 -.2721 .5008 .1358 .95 .0006 .0030 .0004 .0001 .0001 .0000 HW1 -.228 .986 -.100 .97 1.20 HW2 -.273 .479 .094 1.20