COL ICSD Collection Code 24167 DATE Recorded Aug 12, 1986; updated Aug 12, 1986 NAME POTASSIUM MAGNESIUM ALUMINIUM HYDROXIDE FLUORIDE SILICATE * MINR Biotite - from Sterling, N.Y., USA MINR Mica FORM K Mg3 Al Si3 O10 O H F = H Al F K Mg3 O11 Si3 TITL Polymorphism of the Micas with Optical Measurements REF American Mineralogist AMMIA 24 (1939) 729-771 AUT Hendricks S B, JeffersonÿMÿE CELL a=5.300 b=5.300 c=60.000 à=90.0 á=90.0 ç=120.0 V=1459.6 Z=6 SGR P -1 (2) - triclinic CLAS -1 (Hermann-Mauguin) - Ci (Schoenflies) PRS aP126 ANX A12BC36D47X24Y120 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- K 1 1.000 2i 0. 1/6 0.0825 K 2 1.000 2i 1/3 1/6 0.2492 K 3 1.000 2i 1/3 1/2 0.4158 Mg 1 2.000 2i 1/3 1/6 0. Mg 2 2.000 1c 0. 1/2 0. Mg 3 2.000 2i 1/3 1/6 1/2 Mg 4 2.000 1g 0. 1/2 1/2 Mg 5 2.000 2i 0. 5/6 1/6 Mg 6 2.000 2i 0. 1/6 1/2 Mg 7 2.000 2i 2/3 1/6 1/6 Mg 8 2.000 2i 1/3 5/6 1/3 Mg 9 2.000 2i 1/3 1/2 0.1837 Mg 10 2.000 2i 2/3 1/2 0.3503 Al 1 3.000 2i 1/3 5/6 0.044 0.25 Al 2 3.000 2i 2/3 1/2 0.044 0.25 Al 3 3.000 2i 0. 1/6 0.544 0.25 Al 4 3.000 2i 1/3 5/6 0.544 0.25 Al 5 3.000 2i 2/3 5/6 0.2107 0.25 Al 6 3.000 2i 0. 5/6 0.3773 0.25 Al 7 3.000 2i 0. 1/2 0.2107 0.25 Al 8 3.000 2i 2/3 1/6 0.3773 0.25 Al 9 3.000 2i 2/3 1/2 0.1227 0.25 Al 10 3.000 2i 0. 1/2 0.2893 0.25 Al 11 3.000 2i 1/3 5/6 0.1227 0.25 Al 12 3.000 2i 2/3 5/6 0.2893 0.25 Si 1 4.000 2i 1/3 5/6 0.044 0.75 Si 2 4.000 2i 2/3 1/2 0.044 0.75 Si 3 4.000 2i 0. 1/6 0.544 0.75 Si 4 4.000 2i 1/3 5/6 0.544 0.75 Si 5 4.000 2i 2/3 5/6 0.2107 0.75 Si 6 4.000 2i 0. 5/6 0.3773 0.75 Si 7 4.000 2i 0. 1/2 0.2107 0.75 Si 8 4.000 2i 2/3 1/6 0.3773 0.75 Si 9 4.000 2i 2/3 1/2 0.1227 0.75 Si 10 4.000 2i 0. 1/2 0.2893 0.75 Si 11 4.000 2i 1/3 5/6 0.1227 0.75 Si 12 4.000 2i 2/3 5/6 0.2893 0.75 O 1 -2.000 2i 1/3 5/6 0.017 O 2 -2.000 2i 2/3 1/2 0.017 O 3 -2.000 2i 0. 2/3 0.053 O 4 -2.000 2i 1/2 2/3 0.053 O 5 -2.000 2i 1/2 1/6 0.053 O 6 -2.000 2i 0. 1/6 0.517 O 7 -2.000 2i 1/3 5/6 0.517 O 8 -2.000 2i 1/6 0. 0.553 O 9 -2.000 2i 2/3 0. 0.553 O 10 -2.000 2i 1/6 1/2 0.553 O 11 -2.000 2i 2/3 5/6 0.1837 O 12 -2.000 2i 0. 1/2 0.1837 O 13 -2.000 2i 2/3 1/2 0.1497 O 14 -2.000 2i 1/3 5/6 0.1497 O 15 -2.000 2i 0. 5/6 0.3503 O 16 -2.000 2i 2/3 1/6 0.3503 O 17 -2.000 2i 0. 1/2 0.3163 O 18 -2.000 2i 2/3 5/6 0.3163 O 19 -2.000 2i 5/6 2/3 0.2197 O 20 -2.000 2i 1/3 2/3 0.2197 O 21 -2.000 2i 5/6 1/6 0.2197 O 22 -2.000 2i 0. 2/3 0.1137 O 23 -2.000 2i 1/2 2/3 0.1137 O 24 -2.000 2i 1/2 1/6 0.1137 O 25 -2.000 2i 5/6 0. 0.3863 O 26 -2.000 2i 1/3 0. 0.3863 O 27 -2.000 2i 5/6 1/2 0.3863 O 28 -2.000 2i 5/6 1/6 0.2803 O 29 -2.000 2i 5/6 2/3 0.2803 O 30 -2.000 2i 1/3 2/3 0.2803 OH1 31 -2.000 2i 0. 1/6 0.017 0.5 OH1 32 -2.000 2i 2/3 1/2 0.517 0.5 OH1 33 -2.000 2i 1/3 1/6 0.1837 0.5 OH1 34 -2.000 2i 0. 1/6 0.1497 0.5 OH1 35 -2.000 2i 1/3 1/2 0.3503 0.5 OH1 36 -2.000 2i 1/3 1/6 0.3163 0.5 F 1 -1.000 2i 0. 1/6 0.017 0.5 F 2 -1.000 2i 2/3 1/2 0.517 0.5 F 3 -1.000 2i 1/3 1/6 0.1837 0.5 F 4 -1.000 2i 0. 1/6 0.1497 0.5 F 5 -1.000 2i 1/3 1/2 0.3503 0.5 F 6 -1.000 2i 1/3 1/6 0.3163 0.5 H 1 1.000 2i 6 Atoms not located in Unit Cell WYCK i60 g c TEST No R value given in the paper. (Code 51) TEST At least one temperature factor missing in the paper. (Code 53) TEST Coordinates are those given in the paper but are obviously wrong. (Code 74) COL ICSD Collection Code 33215 DATE Recorded Dec 6, 1984; updated Jun 24, 1985 NAME Barium strontium calcium cerium sodium iron potassium thorium niobium tantalum titanium oxide hydrate * MINR Biotite - from Panda Hill, Tanganyika MINR Mica FORM (Ba0.30 Sr0.22 Ca0.05 Ce0.04 Na0.03 Fe0.02 K0.01 Th0.01) (Nb1.83 Ta0.004 Ti0.17) O5.61 (H2 O)0.80 = H1.6 Ba.3 Ca.05 Ce.04 Fe.02 K.01 Na.03 Nb1.83 O6.41 Sr.22 Ta.004 Th.01 Ti.17 TITL A hydrated barium-strontium pyrochlore in a biotite rock from Panda Hill, Tanganyika REF Mineralogical Magazine and Journal of the Mineralogical Society (1876-1968) MIASA 32 (1959) 10-25 AUT Jaeger E, NiggliÿE, van der VeenÿAÿH CELL a=10.562 b=10.562 c=10.562 à=90.0 á=90.0 ç=90.0 V=1178.3 Z=0 SGR F d -3 m Z (227) - cubic CLAS m-3m (Hermann-Mauguin) - Oh (Schoenflies) TEST Coordinates or space group or lattice parameters are not determined. (Code 71) TEST No R value given in the paper. (Code 51) TEST Calculated density unusual but tolerable. (Code 23) COL ICSD Collection Code 100231 DATE Recorded Dec 31, 1980 NAME POTASSIUM IRON MAGNESIUM TITANIUM ALUMOSILICATE HYDROXIDE * MINR Biotite MINR Mica FORM K2 (Fe2.786 Mg2.321 Ti0.550) (Al2.413 Si5.587 O20) (O H)4 = H4 Al2.413 Fe2.786 K2 Mg2.321 O24 Si5.587 Ti.55 FORM (K1.971 Na0.040 Ca0.005) (Fe2.786 Mg2.321 Mn0.015 Ti0.636 Al0.243) (Al2.413 Si5.587) (O21.125 (O H)2.435 F0.165 Cl0.275) TITL Crystal chemistry of a metamorphic Biotite and its significance in water barometry REF American Mineralogist AMMIA 65 (1980) 55-62 AUT Bohlen S R, PeacorÿDÿR, EsseneÿEÿJ CELL a=5.357 b=9.245 c=20.234 à=90.0 á=95.0 ç=90.0 V=998.3 Z=2 SGR C 1 2/c 1 (15) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mC87 ANX A11BC4D16X48 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Fe 1 2.000 4d 3/4 1/4 0. 0.464 Mg 1 2.000 4d 3/4 1/4 0. 0.387 Ti 1 4.000 4d 3/4 1/4 0. 0.092 Fe 2 2.000 8f 0.248 0.0826 0. 0.464 Mg 2 2.000 8f 0.248 0.0826 0. 0.387 Ti 2 4.000 8f 0.248 0.0862 0. 0.092 K 1 1.000 4e 0. 0.0844 1/4 Si 1 4.000 8f 0.4625 0.2508 0.1373 0.698 Al 1 3.000 8f 0.4625 0.2508 0.1373 0.302 Si 2 4.000 8f 0.963 0.4175 0.1375 0.698 Al 2 3.000 8f 0.963 0.4175 0.1375 0.302 O 1 -2.000 8f 0.7341 0.3201 0.1656 O 2 -2.000 8f 0.2368 0.3476 0.1659 O 3 -2.000 8f 0.4459 0.0836 0.166 O 4 -2.000 8f 0.4323 0.2395 0.0544 O 5 -2.000 8f 0.9361 0.4073 0.0545 O 6 -2.000 8f 0.9367 0.0709 0.0537 H 1 1.000 8f 8 Atoms not located in Unit Cell TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) Fe 1 0.0072 0.0019 0.0006 -0.0007 0.0006 -0.0001 Mg 1 0.0072 0.0019 0.0006 -0.0007 0.0006 -0.0001 Ti 1 0.0072 0.0019 0.0006 -0.0007 0.0006 -0.0001 Fe 2 0.0092 0.0022 0.0006 -0.0004 0.0005 0.0000 Mg 2 0.0092 0.0022 0.0006 -0.0004 0.0005 0.0000 Ti 2 0.0092 0.0022 0.0006 -0.0004 0.0005 0.0000 K 1 0.0232 0.0071 0.0016 0.0000 0.0007 0.0000 Si 1 0.0066 0.0019 0.0003 -0.0002 0.0005 0.0001 Al 1 0.0066 0.0019 0.0003 -0.0002 0.0005 0.0001 Si 2 0.0071 0.0020 0.0005 -0.0001 0.0005 0.0000 Al 2 0.0071 0.0020 0.0005 -0.0001 0.0005 0.0000 O 1 0.0133 0.0075 0.0006 -0.0041 0.0005 0.0003 O 2 0.0147 0.0064 0.0007 0.0030 0.0000 -0.0002 O 3 0.0237 0.0030 0.0007 0.0012 0.0014 0.0001 O 4 0.0080 0.0011 0.0008 -0.0020 0.0004 0.0002 O 5 0.0113 0.0016 0.0004 -0.0006 0.0005 0.0003 O 6 0.0136 0.0002 0.0019 0.0002 0.0012 0.0004 RVAL 0.042 COL ICSD Collection Code 68928 DATE Recorded Jan 20, 1992 NAME Potassium iron dimagnesium phyllo-alumotrisilicate dihydroxide MINR Biotite - from Valle de Cervo, Vercelli, Italy MINR Mica FORM K Fe Mg2 (Al Si3 O10) (O H)2 = H2 Al Fe K Mg2 O12 Si3 FORM (Na.025 K.898) (Fe1.232 Mg1.433 Mn.012 Ti.231 Li.009) (Al1.135 Si2.785 Fe.035 O10.437) (O H)1.525 Cl0.038 TITL Crystal structure refinement of 1M plutonic biotites REF American Mineralogist AMMIA 75 (1990) 305-313 AUT Brigatti M F, DavoliÿP CELL a=5.343 b=9.258 c=10.227 à=90.0 á=100.3 ç=90.0 V=497.8 Z=2 SGR C 1 2/m 1 (12) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mC44 ANX ABC2D4X12 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- O 1 -2.000 4i 0.0268 0. 0.169 O 2 -2.000 8j 0.3192 0.2357 0.1682 O 3 -2.000 8j 0.1312 0.1678 0.3912 O 4 -2.000 4i 0.1286 1/2 0.3957 Mg 1 2.000 4h 0. 0.3348 1/2 Fe 1 2.000 2c 0. 0. 1/2 K 1 1.000 2b 0. 1/2 0. Al 1 3.000 8j 0.0749 0.1668 0.2258 0.25 Si 1 4.000 8j 0.0749 0.1668 0.2258 0.75 H 1 1.000 4i 0.09 1/2 0.315 WYCK j3 i2 h c b ÿ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) O 1 0.0286 0.0041 0.0057 0.0000 0.0021 0.0000 O 2 0.0198 0.0070 0.0045 -0.0034 0.0026 -0.0007 O 3 0.0150 0.0046 0.0040 -0.0004 0.0025 -0.0002 O 4 0.0156 0.0040 0.0053 0.0000 0.0029 0.0000 Mg 1 0.0133 0.0040 0.0040 0.0000 0.0023 0.0000 Fe 1 0.0133 0.0029 0.0043 0.0000 0.0031 0.0000 K 1 0.0306 0.0095 0.0089 0.0000 0.0039 0.0000 Al 1 0.0131 0.0031 0.0039 -0.0001 0.0026 0.0000 Si 1 0.0131 0.0031 0.0039 -0.0001 0.0026 0.0000 RVAL 0.033 TEST At least one temperature factor missing in the paper. (Code 53) COL ICSD Collection Code 68929 DATE Recorded Jan 20, 1992 NAME Potassium iron dimagnesium phyllo-alumotrisilicate dihydroxide MINR Biotite - from Valle de Cervo, Vercelli, Italy MINR Mica FORM K Fe Mg2 (Al Si3 O10) (O H)2 = H2 Al Fe K Mg2 O12 Si3 FORM (Ca.005 Na.012 K.922) (Al.011 Fe1.17 Mg1.502 Mn.027 Ti.153 Li.012) (Al1.203 Si2.797 O10.253) (O H)1.729 Cl0.018 TITL Crystal structure refinement of 1M plutonic biotites REF American Mineralogist AMMIA 75 (1990) 305-313 AUT Brigatti M F, DavoliÿP CELL a=5.346 b=9.252 c=10.238 à=90.0 á=100.0 ç=90.0 V=498.7 Z=2 SGR C 1 2/m 1 (12) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mC44 ANX ABC2D4X12 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- O 1 -2.000 4i 0.0236 0. 0.1681 O 2 -2.000 8j 0.3221 0.2339 0.1695 O 3 -2.000 8j 0.1308 0.1673 0.391 O 4 -2.000 4i 0.1293 1/2 0.396 Mg 1 2.000 4h 0. 0.334 1/2 Fe 1 2.000 2c 0. 0. 1/2 K 1 1.000 2b 0. 1/2 0. Al 1 3.000 8j 0.0752 0.1674 0.2262 0.25 Si 1 4.000 8j 0.0752 0.1674 0.2262 0.75 H 1 1.000 4i 0.01 1/2 0.315 WYCK j3 i2 h c b ÿ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) O 1 0.0173 0.0048 0.0029 0.0000 -0.0003 0.0000 O 2 0.0153 0.0061 0.0032 -0.0011 0.0013 0.0000 O 3 0.0128 0.0033 0.0027 0.0012 0.0004 -0.0007 O 4 0.0130 0.0040 0.0035 0.0000 0.0029 0.0000 Mg 1 0.0056 0.0027 0.0028 0.0000 0.0004 0.0000 Fe 1 0.0104 0.0022 0.0022 0.0000 0.0016 0.0000 K 1 0.0222 0.0084 0.0068 0.0000 0.0020 0.0000 Al 1 0.0074 0.0022 0.0023 0.0007 0.0005 0.0002 Si 1 0.0074 0.0022 0.0023 0.0007 0.0005 0.0002 RVAL 0.024 TEST At least one temperature factor missing in the paper. (Code 53) COL ICSD Collection Code 68930 DATE Recorded Jan 20, 1992 NAME Potassium iron dimagnesium phyllo-alumotrisilicate dihydroxide MINR Biotite - from Valle de Cervo, Vercelli, Italy MINR Mica FORM K Fe Mg2 (Al Si3 O10) (O H)2 = H2 Al Fe K Mg2 O12 Si3 FORM (Ca.002 Na.012 K.990) (Al.052 Fe1.25 Mg1.35 Mn.033 Ti.23 Li.015) (Al1.154 Si2.846 O10.537) (O H)1.446 Cl0.016 TITL Crystal structure refinement of 1M plutonic biotites REF American Mineralogist AMMIA 75 (1990) 305-313 AUT Brigatti M F, DavoliÿP CELL a=5.355 b=9.251 c=10.246 à=90.0 á=100.2 ç=90.0 V=499.6 Z=2 SGR C 1 2/m 1 (12) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mC44 ANX ABC2D4X12 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- O 1 -2.000 4i 0.0241 0. 0.1694 O 2 -2.000 8j 0.3203 0.2355 0.1668 O 3 -2.000 8j 0.133 0.1676 0.3916 O 4 -2.000 4i 0.1304 1/2 0.3949 Mg 1 2.000 4h 0. 0.3342 1/2 Fe 1 2.000 2c 0. 0. 1/2 K 1 1.000 2b 0. 1/2 0. Al 1 3.000 8j 0.0752 0.1666 0.2256 0.25 Si 1 4.000 8j 0.0752 0.1666 0.2256 0.75 H 1 1.000 8j 4 Atoms not located in Unit Cell WYCK j3 i2 h c b ÿ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) O 1 0.0242 0.0071 0.0065 0.0000 0.0035 0.0000 O 2 0.0213 0.0081 0.0064 -0.0020 0.0045 -0.0004 O 3 0.0105 0.0031 0.0050 -0.0005 0.0017 0.0001 O 4 0.0131 0.0048 0.0028 0.0000 0.0018 0.0000 Mg 1 0.0115 0.0054 0.0044 0.0000 0.0023 0.0000 Fe 1 0.0136 0.0043 0.0045 0.0000 0.0030 0.0000 K 1 0.0306 0.0106 0.0100 0.0000 0.0054 0.0000 Al 1 0.0095 0.0035 0.0041 -0.0007 0.0024 -0.0003 Si 1 0.0095 0.0035 0.0041 -0.0007 0.0024 -0.0003 RVAL 0.062 COL ICSD Collection Code 68931 DATE Recorded Jan 20, 1992 NAME Potassium iron dimagnesium phyllo-alumotrisilicate dihydroxide MINR Biotite - from Valle de Cervo, Vercelli, Italy MINR Mica FORM K Fe Mg2 (Al Si3 O10) (O H)2 = H2 Al Fe K Mg2 O12 Si3 FORM (Na.021 K.908) (Al.015 Fe1.217 Mg1.386 Mn.015 Ti.25 Li.006) (Al1.258 Si2.742 O10.318) (O H)1.628 Cl0.053 TITL Crystal structure refinement of 1M plutonic biotites REF American Mineralogist AMMIA 75 (1990) 305-313 AUT Brigatti M F, DavoliÿP CELL a=5.345 b=9.258 c=10.222 à=90.0 á=100.2 ç=90.0 V=497.8 Z=2 SGR C 1 2/m 1 (12) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mC44 ANX ABC2D4X12 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- O 1 -2.000 4i 0.0267 0. 0.1687 O 2 -2.000 8j 0.3195 0.2361 0.1681 O 3 -2.000 8j 0.1316 0.1677 0.3909 O 4 -2.000 4i 0.1291 1/2 0.3947 Mg 1 2.000 4h 0. 0.3347 1/2 Fe 1 2.000 2c 0. 0. 1/2 K 1 1.000 2b 0. 1/2 0. Al 1 3.000 8j 0.0748 0.1669 0.2257 0.25 Si 1 4.000 8j 0.0748 0.1669 0.2257 0.75 H 1 1.000 4i 0.09 1/2 0.315 WYCK j3 i2 h c b ÿ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) O 1 0.0224 0.0035 0.0033 0.0000 0.0001 0.0000 O 2 0.0141 0.0060 0.0034 -0.0028 0.0017 -0.0007 O 3 0.0086 0.0030 0.0027 0.0003 0.0009 -0.0003 O 4 0.0076 0.0022 0.0047 0.0000 0.0016 0.0000 Mg 1 0.0061 0.0032 0.0030 0.0000 0.0007 0.0000 Fe 1 0.0076 0.0020 0.0033 0.0000 0.0016 0.0000 K 1 0.0255 0.0080 0.0080 0.0000 0.0024 0.0000 Al 1 0.0058 0.0018 0.0025 -0.0001 0.0007 -0.0001 Si 1 0.0058 0.0018 0.0025 -0.0001 0.0007 -0.0001 RVAL 0.021 TEST At least one temperature factor missing in the paper. (Code 53) COL ICSD Collection Code 68932 DATE Recorded Jan 20, 1992 NAME Potassium iron dimagnesium phyllo-alumotrisilicate dihydroxide MINR Biotite - from Valle de Cervo, Vercelli, Italy MINR Mica FORM K Fe Mg2 (Al Si3 O10) (O H)2 = H2 Al Fe K Mg2 O12 Si3 FORM (Na.015 K.940) (Al.052 Fe1.347 Mg1.354 Mn.023 Ti.196 Li.01) (Al1.209 Si2.791 O10.554) (O H)1.438 Cl0.008 TITL Crystal structure refinement of 1M plutonic biotites REF American Mineralogist AMMIA 75 (1990) 305-313 AUT Brigatti M F, DavoliÿP CELL a=5.337 b=9.242 c=10.211 à=90.0 á=100.2 ç=90.0 V=495.8 Z=2 SGR C 1 2/m 1 (12) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mC44 ANX ABC2D4X12 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- O 1 -2.000 4i 0.0239 0. 0.1698 O 2 -2.000 8j 0.3207 0.234 0.1681 O 3 -2.000 8j 0.1303 0.1676 0.3909 O 4 -2.000 4i 0.1305 1/2 0.3952 Mg 1 2.000 4h 0. 0.335 1/2 Fe 1 2.000 2c 0. 0. 1/2 K 1 1.000 2b 0. 1/2 0. Al 1 3.000 8j 0.0746 0.1666 0.2255 0.25 Si 1 4.000 8j 0.0746 0.1666 0.2255 0.75 H 1 1.000 4i 0.09 1/2 0.315 WYCK j3 i2 h c b ÿ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) O 1 0.0220 0.0032 0.0057 0.0000 0.0016 0.0000 O 2 0.0115 0.0072 0.0061 -0.0026 0.0031 -0.0005 O 3 0.0064 0.0020 0.0062 0.0001 0.0024 0.0001 O 4 0.0096 0.0038 0.0016 0.0000 0.0001 0.0000 Mg 1 0.0080 0.0040 0.0041 0.0000 0.0017 0.0000 Fe 1 0.0075 0.0036 0.0040 0.0000 0.0020 0.0000 K 1 0.0245 0.0082 0.0089 0.0000 0.0026 0.0000 Al 1 0.0043 0.0020 0.0040 0.0001 0.0015 0.0003 Si 1 0.0043 0.0020 0.0040 0.0001 0.0015 0.0003 RVAL 0.035 TEST At least one temperature factor missing in the paper. (Code 53)