COL ICSD Collection Code 45788 DATE Recorded Jan 1, 1980; updated May 15, 1985 NAME Decaaluminium trisilicon oxide MINR Mullite - from different areas in Great Britain FORM Al10 Si3 O21 = Al10 O21 Si3 TITL Cell Dimensions, Solid Solution, Polymorphism, and Identification of Mullite and Sillimanite REF Journal of the American Ceramic Society JACTA 43 (1960) 69-76 AUT Agrell S O, SmithÿJÿV CELL a=7.500 b=7.700 c=2.900 à=90.0 á=90.0 ç=90.0 V=167.5 Z=0 TEST No R value given in the paper. (Code 51) TEST Coordinates or space group or lattice parameters are not determined. (Code 71) COL ICSD Collection Code 23726 DATE Recorded Jan 1, 1980; updated Jun 29, 1998 NAME Aluminium silicon oxide (2.35/.64/4.82) MINR Mullite - synthetic FORM Al2.35 Si.64 O4.82 = Al2.35 O4.82 Si.64 TITL Refinement of the Crystal Structure of Mullite REF Chemicke Zvesti CHZVA 23 (1969) 113-128 AUT Durovic S CELL a=7.566 b=7.682 c=2.884 à=90.0 á=90.0 ç=90.0 V=167.6 D=3.10 Z=2 SGR P b a m (55) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oP16 ANX A3X5 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Al 1 3.000 2a 0. 0. 0. Al 2 3.000 4h 0.238 0.2945 1/2 0.34 Al 3 3.000 4h 0.3512 0.159 1/2 0.34 Si 1 4.000 4h 0.3512 0.159 1/2 0.33 O 1 -2.000 4g 0.3729 0.2808 0. O 2 -2.000 4h 0.142 0.0777 1/2 O 3 -2.000 2d 0. 1/2 1/2 0.41 O 4 -2.000 4h 0.0509 0.4482 1/2 0.21 WYCK h4 g d a ITF Al 1 B=0.43 ITF Al 2 B=0.51 ITF Al 3 B=0.49 ITF Si 1 B=0.49 ITF O 1 B=0.97 ITF O 2 B=0.92 ITF O 3 B=1.4 ITF O 4 B=0.84 REM M PDF 15-776 RVAL 0.113 TEST Difference between the formula calculated from the PARM record and the FORM record tolerable. (Code 21) TEST Calculated density unusual but tolerable. (Code 23) COL ICSD Collection Code 23867 DATE Recorded Jan 1, 1980; updated Jun 29, 1998 NAME Aluminium silicate * MINR Mullite - synthetic FORM Al2.4 Si.6 O4.8 = Al2.4 O4.8 Si.6 TITL The Structure of Mullite, (Al2 O3)2 Si O2, and Relationship with the Structures of Sillimanite and Andalusite REF Acta Crystallographica (1,1948-23,1967) ACCRA 15 (1962) 65-68 AUT Sadanaga R, TokonamiÿM, TakeuchiÿY CELL a=7.583 b=7.681 c=2.885 à=90.0 á=90.0 ç=90.0 V=168.1 D=3.16 Z=2 SGR P b a m (55) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oP16 ANX A3X5 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Al 1 3.000 2a 0. 0. 0. Al 2 3.000 4h 0.351 0.159 1/2 0.5 Al 3 3.000 4h 0.236 0.294 1/2 0.2 Si 1 4.000 4h 0.351 0.159 1/2 0.3 O 1 -2.000 4h 0.139 0.076 1/2 O 2 -2.000 4g 0.374 0.283 0. O 3 -2.000 2d 0. 1/2 1/2 0.4 O 4 -2.000 4h 0.053 0.447 1/2 0.2 WYCK h4 g d a ITF Al 1 B=1.2 ITF Al 2 B=1.2 ITF Al 3 B=1.2 ITF Si 1 B=1.2 ITF O 1 B=1.2 ITF O 2 B=1.2 ITF O 3 B=1.2 ITF O 4 B=1.2 REM M PDF 15-776 RVAL 0.110 TEST Calculated density unusual but tolerable. (Code 23) COL ICSD Collection Code 28544 DATE Recorded Jan 1, 1980; updated Jun 29, 1998 NAME Aluminium silicon oxide (4.6/1.4/9.7) MINR Mullite - synthetic from melt FORM Al2.3 Si.7 O4.85 = Al2.3 O4.85 Si.7 FORM (Al4.57 Fe.034 Ti.005 Si1.352) O9.621 TITL A Statistical Model for the Crystal Structure of Mullite REF Kristallografiya KRISA 7 (1962) 339-349 AUT Durovic S CELL a=7.549 b=7.681 c=2.884 à=90.0 á=90.0 ç=90.0 V=167.2 D=3.15 Z=2 SGR P b a m (55) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oP16 ANX A3X5 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Al 1 3.000 2a 0. 0. 0. Al 2 3.000 4h 0.352 0.161 1/2 0.5567 Al 3 3.000 4h 0.233 0.287 1/2 0.1043 Si 1 4.000 4h 0.352 0.161 1/2 0.2863 Si 2 4.000 4h 0.233 0.287 1/2 0.053 O 1 -2.000 4g 0.374 0.279 0. O 2 -2.000 4h 0.138 0.078 1/2 O 3 -2.000 4h 0.025 0.475 1/2 0.42 WYCK h4 g a REM M PDF 15-776, R(hk0,1,2)=.091, .084, .097, resp., R(h0l)=.093 RVAL 0.095 TEST Calculated density unusual but tolerable. (Code 23) TEST At least one temperature factor missing in the paper. (Code 53) COL ICSD Collection Code 100805 DATE Recorded Dec 31, 1981; updated Jun 26, 1998 NAME Aluminium alumosilicate * MINR Mullite - synthetic from flux at 1573 K FORM Al (Al1.272 Si0.728 O4.864) = Al2.272 O4.864 Si.728 TITL Structure refinement of 3:2-Mullite ((Al2 O3)3 (Si O2)2) REF Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-) NJMMA 1981 (1981) 145-150 AUT Saalfeld H, GuseÿW CELL a=7.553 b=7.686 c=2.886 à=90.0 á=90.0 ç=90.0 V=167.6 D=3.00 Z=2 SGR P b a m (55) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oP16 ANX A3X5 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Al 1 3.000 2a 0. 0. 0. Al 2 3.000 4h 0.2379 0.2943 1/2 0.137 Al 3 3.000 4h 0.3515 0.1589 1/2 0.499 Si 1 4.000 4h 0.3515 0.1589 1/2 0.364 O 1 -2.000 4g 0.3735 0.2799 0. O 2 -2.000 4h 0.1421 0.0779 1/2 O 3 -2.000 2d 0. 1/2 1/2 0.59 O 4 -2.000 4h 0.0493 0.4482 1/2 0.137 WYCK h4 g d a REM M PDF 16-776, R(isotropic)=0.048 RVAL 0.027 TEST Calculated density unusual but tolerable. (Code 23) TEST At least one temperature factor missing in the paper. (Code 53) COL ICSD Collection Code 202159 DATE Recorded Dec 19, 1988; updated Jun 29, 1998 NAME Aluminium silicon oxide (4.4/1.2/9.6) MINR Mullite - synthetic FORM Al2 (Al2.8 Si1.2) O9.54 = Al4.8 O9.54 Si1.2 FORM Al2 (Al2.8 Si1.2) O9.6 TITL Crystal structure of mullite: A re-examination of the average structure REF American Mineralogist AMMIA 71 (1986) 1476-1482 AUT Angel R J, PrewittÿCÿT CELL a=7.578 b=7.682 c=2.886 à=90.0 á=90.0 ç=90.0 V=168.0 D=3.00 Z=1 SGR P b a m (55) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oP16 ANX A3X5 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Al 1 3.000 2a 0. 0. 0. Al 2 3.000 4h 0.14901 0.34026 1/2 0.56(2) Si 1 4.000 4h 0.14901 0.34026 1/2 0.25(2) Al 3 3.000 4h 0.26247 0.20529 1/2 0.13(2) Si 2 4.000 4h 0.26247 0.20529 1/2 0.06(2) O 1 -2.000 4h 0.359 0.4218 1/2 O 2 -2.000 2d 1/2 0. 1/2 0.39(1) O 3 -2.000 4h 0.4498 0.0505 1/2 0.19(1) O 4 -2.000 4g 0.1273 0.2186 0. WYCK h4 g d a ÿ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) Al 1 0.0031 0.0027 0.0166 0.0002 0.0000 0.0000 Al 2 0.0026 0.0031 0.0221 -0.0002 0.0000 0.0000 Si 1 0.0026 0.0031 0.0221 -0.0002 0.0000 0.0000 Al 3 0.0025 0.0033 0.0163 0.0001 0.0000 0.0000 Si 2 0.0025 0.0033 0.0163 0.0001 0.0000 0.0000 O 1 0.0049 0.0063 0.0176 -0.0024 0.0000 0.0000 O 2 0.0061 0.0052 0.0609 -0.0012 0.0000 0.0000 O 3 0.0039 0.0026 0.0386 -0.0003 0.0000 0.0000 O 4 0.0053 0.0045 0.0308 -0.0022 0.0000 0.0000 REM M PDF 15-776, also 3rd and 4th order tensor coeff. for O1, O4 given, R(normal Bik)=0.03 RVAL 0.024 TEST Deviation of the charge sum from zero tolerable. (Code 22) TEST Calculated density unusual but tolerable. (Code 23) COL ICSD Collection Code 66263 DATE Recorded Aug 20, 1992; updated Jun 29, 1998 NAME Aluminium silicon oxide (4.8/1.2/9.6) MINR Mullite - synthetic FORM Al2 (Al2.8 Si1.2) O9.6 = Al4.8 O9.6 Si1.2 TITL Substructure and superstructure of mullite by neutron diffraction REF American Mineralogist AMMIA 76 (1991) 332-342 REF American Mineralogist AMMIA 71 (1986) 1476-1482 AUT Angel R J, McMullanÿRÿK, PrewittÿCÿT CELL a=7.588 b=7.688 c=2.889 à=90.0 á=90.0 ç=90.0 V=168.6 D=3.00 Z=1 SGR P b a m (55) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oP16 ANX A3X5 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Al 1 3.000 2a 0. 0. 0. Al 2 3.000 4h 0.149 0.34 1/2 0.55(2) Si 1 4.000 4h 0.149 0.34 1/2 0.25(2) Al 3 3.000 4h 0.2625 0.2067 1/2 0.15(2) Si 2 4.000 4h 0.2625 0.2067 1/2 0.05(2) O 1 -2.000 4h 0.35838 0.42238 1/2 O 2 -2.000 2d 1/2 0. 1/2 0.4 O 3 -2.000 4h 0.4495 0.0509 1/2 0.2 O 4 -2.000 4g 0.12733 0.21843 0. WYCK h4 g d a ÿ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) Al 1 0.0025 0.0017 0.0105 0.0002 0.0000 0.0000 Al 2 0.0017 0.0022 0.0141 -0.0001 0.0000 0.0000 Si 1 0.0017 0.0022 0.0141 -0.0001 0.0000 0.0000 Al 3 0.0017 0.0021 0.0170 -0.0001 0.0000 0.0000 Si 2 0.0017 0.0021 0.0170 -0.0001 0.0000 0.0000 O 1 0.0044 0.0062 0.0111 -0.0029 0.0000 0.0000 O 2 0.0052 0.0050 0.0620 -0.0013 0.0000 0.0000 O 3 0.0026 0.0023 0.0280 -0.0003 0.0000 0.0000 O 4 0.0049 0.0041 0.0258 -0.0023 0.0000 0.0000 REM NDS (neutron diffraction from a single crystal) REM M PDF 15-776, model I, cell by XRD: 7.5785(6), 7.6817(7), 2.8864(3) RVAL 0.037 TEST Calculated density unusual but tolerable. (Code 23) COL ICSD Collection Code 66264 DATE Recorded Aug 20, 1992; updated Jun 29, 1998 NAME Aluminium silicon oxide (4.8/1.2/9.6) MINR Mullite - synthetic FORM Al2 (Al2.8 Si1.2) O9.6 = Al4.8 O9.6 Si1.2 TITL Substructure and superstructure of mullite by neutron diffraction REF American Mineralogist AMMIA 76 (1991) 332-342 REF American Mineralogist AMMIA 71 (1986) 1476-1482 AUT Angel R J, McMullanÿRÿK, PrewittÿCÿT CELL a=7.588 b=7.688 c=2.889 à=90.0 á=90.0 ç=90.0 V=168.6 D=3.00 Z=1 SGR P b a m (55) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oP16 ANX AB5X10 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Al 1 3.000 2a 0. 0. 0. Al 2 3.000 4h 0.1502 0.3362 1/2 0.5 Si 1 4.000 4h 0.148 0.3455 1/2 0.3 Al 3 3.000 4h 0.2622 0.2057 1/2 0.2 O 1 -2.000 4h 0.3591 0.411 1/2 0.3 O 2 -2.000 4h 0.3509 0.4356 1/2 0.5 O 3 -2.000 4h 0.3791 0.4039 1/2 0.2 O 4 -2.000 2d 1/2 0. 1/2 0.4 O 5 -2.000 4h 0.4501 0.0502 1/2 0.2 O 6 -2.000 8i 0.1188 0.2259 0.024 0.3 O 7 -2.000 8i 0.1409 0.2067 0.02 0.2 WYCK i2 h7 d a ITF Al 2 B=0.43(2) ITF Si 1 B=0.43(2) ITF O 1 B=0.41(2) ITF O 2 B=0.41(2) ITF O 3 B=0.41(2) ITF O 6 B=0.51(2) ITF O 7 B=0.51(2) ÿ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) Al 1 0.0024 0.0017 0.0102 0.0002 0.0000 0.0000 Al 3 0.0008 0.0019 0.0120 -0.0002 0.0000 0.0000 O 4 0.0049 0.0043 0.0630 -0.0006 0.0000 0.0000 O 5 0.0021 0.0016 0.0290 -0.0003 0.0000 0.0000 REM NDS (neutron diffraction from a single crystal) REM M PDF 15-776, model II (same B for split atoms) RVAL 0.037 TEST Calculated density unusual but tolerable. (Code 23) COL ICSD Collection Code 66444 DATE Recorded Jan 6, 1993; updated Jun 29, 1998 NAME Aluminium silicon oxide (4.95/1.1/9.5) MINR Mullite - synthetic FORM Al4.95 Si1.05 O9.52 = Al4.95 O9.52 Si1.05 TITL Structure refinement of mullite by the rietveld method and a new method for estimation of chemical composition REF Journal of the American Ceramic Society JACTA 75 (1992) 227-230 AUT Ban T, OkadaÿK CELL a=7.611 b=7.680 c=2.887 à=90.0 á=90.0 ç=90.0 V=168.8 D=3.00 Z=1 SGR P b a m (55) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oP16 ANX A3X5 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Al 1 3.000 2a 0. 0. 0. Al 2 3.000 4h 0.1498 0.3395 1/2 0.5 Si 2 4.000 4h 0.1498 0.3395 1/2 0.263 Al 3 3.000 4h 0.2577 0.2107 1/2 0.237 O 1 -2.000 4h 0.3574 0.424 1/2 O 2 -2.000 4g 0.129 0.2176 0. O 3 -2.000 2d 1/2 0. 1/2 0.288(6) O 4 -2.000 4h 0.4474 0.0401 1/2 0.237 WYCK h4 g d a ITF Al 1 B=1.45(4) ITF Al 2 B=1.45(4) ITF Si 2 B=1.45(4) ITF Al 3 B=1.45(4) ITF O 1 B=1.45(4) ITF O 2 B=1.45(4) ITF O 3 B=1.45(4) ITF O 4 B=1.45(4) REM XDP (X-ray diffraction from a powder) REM RVP REM M PDF 15-776 RVAL 0.012 TEST Calculated density unusual but tolerable. (Code 23) COL ICSD Collection Code 66445 DATE Recorded Jan 6, 1993; updated Jun 29, 1998 NAME Aluminium silicon oxide (4.98/1.02/9.5) MINR Mullite - synthetic FORM Al4.984 Si1.016 O9.508 = Al4.984 O9.508 Si1.016 TITL Structure refinement of mullite by the rietveld method and a new method for estimation of chemical composition REF Journal of the American Ceramic Society JACTA 75 (1992) 227-230 AUT Ban T, OkadaÿK CELL a=7.616 b=7.678 c=2.886 à=90.0 á=90.0 ç=90.0 V=168.7 D=3.00 Z=1 SGR P b a m (55) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oP16 ANX A3X5 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Al 1 3.000 2a 0. 0. 0. Al 2 3.000 4h 0.149 0.3378 1/2 0.5 Si 2 4.000 4h 0.149 0.3378 1/2 0.254 Al 3 3.000 4h 0.2617 0.2077 1/2 0.246 O 1 -2.000 4h 0.3564 0.4234 1/2 O 2 -2.000 4g 0.1298 0.2154 0. O 3 -2.000 2d 1/2 0. 1/2 0.262(9) O 4 -2.000 4h 0.442 0.049 1/2 0.246 WYCK h4 g d a ITF Al 1 B=0.53(5) ITF Al 2 B=0.53(5) ITF Si 2 B=0.53(5) ITF Al 3 B=0.53(5) ITF O 1 B=0.53(5) ITF O 2 B=0.53(5) ITF O 3 B=0.53(5) ITF O 4 B=0.53(5) REM XDP (X-ray diffraction from a powder) REM RVP REM M PDF 15-776 RVAL 0.017 TEST Calculated density unusual but tolerable. (Code 23) COL ICSD Collection Code 66446 DATE Recorded Jan 6, 1993; updated Jun 29, 1998 NAME Aluminium silicon oxide (4.87/1.1/9.6) MINR Mullite - synthetic FORM Al4.868 Si1.132 O9.566 = Al4.868 O9.566 Si1.132 TITL Structure refinement of mullite by the rietveld method and a new method for estimation of chemical composition REF Journal of the American Ceramic Society JACTA 75 (1992) 227-230 AUT Ban T, OkadaÿK CELL a=7.596 b=7.680 c=2.882 à=90.0 á=90.0 ç=90.0 V=168.2 D=3.00 Z=1 SGR P b a m (55) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oP16 ANX A3X5 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Al 1 3.000 2a 0. 0. 0. Al 2 3.000 4h 0.1493 0.3395 1/2 0.5 Si 2 4.000 4h 0.1493 0.3395 1/2 0.283 Al 3 3.000 4h 0.2604 0.2086 1/2 0.217 O 1 -2.000 4h 0.3571 0.4245 1/2 O 2 -2.000 4g 0.1283 0.2175 0. O 3 -2.000 2d 1/2 0. 1/2 0.349(8) O 4 -2.000 4h 0.443 0.049 1/2 0.217 WYCK h4 g d a ITF Al 1 B=0.44(5) ITF Al 2 B=0.44(5) ITF Si 2 B=0.44(5) ITF Al 3 B=0.44(5) ITF O 1 B=0.44(5) ITF O 2 B=0.44(5) ITF O 3 B=0.44(5) ITF O 4 B=0.44(5) REM XDP (X-ray diffraction from a powder) REM RVP REM M PDF 15-776 RVAL 0.015 TEST Calculated density unusual but tolerable. (Code 23) COL ICSD Collection Code 66447 DATE Recorded Jan 6, 1993; updated Jun 29, 1998 NAME Aluminium silicon oxide (4.6/1.4/9.7) MINR Mullite - synthetic FORM Al4.64 Si1.36 O9.68 = Al4.64 O9.68 Si1.36 TITL Structure refinement of mullite by the rietveld method and a new method for estimation of chemical composition REF Journal of the American Ceramic Society JACTA 75 (1992) 227-230 AUT Ban T, OkadaÿK CELL a=7.564 b=7.692 c=2.881 à=90.0 á=90.0 ç=90.0 V=167.6 D=3.00 Z=1 SGR P b a m (55) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oP16 ANX A3X5 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Al 1 3.000 2a 0. 0. 0. Al 2 3.000 4h 0.1503 0.341 1/2 0.5 Si 2 4.000 4h 0.1503 0.341 1/2 0.34 Al 3 3.000 4h 0.2573 0.2031 1/2 0.16 O 1 -2.000 4h 0.3548 0.4248 1/2 O 2 -2.000 4g 0.1303 0.2176 0. O 3 -2.000 2d 1/2 0. 1/2 0.519(7) O 4 -2.000 4h 0.43 0.064 1/2 0.16 WYCK h4 g d a ITF Al 1 B=1.28(4) ITF Al 2 B=1.28(4) ITF Si 2 B=1.28(4) ITF Al 3 B=1.28(4) ITF O 1 B=1.28(4) ITF O 2 B=1.28(4) ITF O 3 B=1.28(4) ITF O 4 B=1.28(4) REM XDP (X-ray diffraction from a powder) REM RVP REM M PDF 15-776 RVAL 0.037 TEST Calculated density unusual but tolerable. (Code 23) COL ICSD Collection Code 66448 DATE Recorded Jan 6, 1993; updated Jun 29, 1998 NAME Aluminium silicon oxide (4.8/1.3/9.6) MINR Mullite - synthetic FORM Al4.75 Si1.25 O9.63 = Al4.75 O9.63 Si1.25 TITL Structure refinement of mullite by the rietveld method and a new method for estimation of chemical composition REF Journal of the American Ceramic Society JACTA 75 (1992) 227-230 AUT Ban T, OkadaÿK CELL a=7.581 b=7.687 c=2.887 à=90.0 á=90.0 ç=90.0 V=168.2 D=3.00 Z=1 SGR P b a m (55) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oP16 ANX A3X5 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Al 1 3.000 2a 0. 0. 0. Al 2 3.000 4h 0.1499 0.3404 1/2 0.5 Si 2 4.000 4h 0.1499 0.3404 1/2 0.313 Al 3 3.000 4h 0.2589 0.2085 1/2 0.187 O 1 -2.000 4h 0.3562 0.4237 1/2 O 2 -2.000 4g 0.1283 0.2186 0. O 3 -2.000 2d 1/2 0. 1/2 0.439(6) O 4 -2.000 4h 0.4439 0.0487 1/2 0.187 WYCK h4 g d a ITF Al 1 B=1.60(3) ITF Al 2 B=1.60(3) ITF Si 2 B=1.60(3) ITF Al 3 B=1.60(3) ITF O 1 B=1.60(3) ITF O 2 B=1.60(3) ITF O 3 B=1.60(3) ITF O 4 B=1.60(3) REM XDP (X-ray diffraction from a powder) REM RVP REM M PDF 15-776 RVAL 0.010 TEST Calculated density unusual but tolerable. (Code 23) COL ICSD Collection Code 66449 DATE Recorded Jan 6, 1993; updated Jun 29, 1998 NAME Aluminium silicon oxide (4.6/1.4/9.7) MINR Mullite - synthetic FORM Al4.59 Si1.41 O9.7 = Al4.59 O9.7 Si1.41 TITL Structure refinement of mullite by the rietveld method and a new method for estimation of chemical composition REF Journal of the American Ceramic Society JACTA 75 (1992) 227-230 AUT Ban T, OkadaÿK CELL a=7.554 b=7.691 c=2.884 à=90.0 á=90.0 ç=90.0 V=167.5 D=3.00 Z=1 SGR P b a m (55) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oP16 ANX A3X5 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Al 1 3.000 2a 0. 0. 0. Al 2 3.000 4h 0.1492 0.3408 1/2 0.5 Si 2 4.000 4h 0.1492 0.3408 1/2 0.352 Al 3 3.000 4h 0.2626 0.2065 1/2 0.148 O 1 -2.000 4h 0.357 0.4229 1/2 O 2 -2.000 4g 0.1273 0.2199 0. O 3 -2.000 2d 1/2 0. 1/2 0.556(4) O 4 -2.000 4h 0.4421 0.0534 1/2 0.148 WYCK h4 g d a ITF Al 1 B=1.14(2) ITF Al 2 B=1.14(2) ITF Si 2 B=1.14(2) ITF Al 3 B=1.14(2) ITF O 1 B=1.14(2) ITF O 2 B=1.14(2) ITF O 3 B=1.14(2) ITF O 4 B=1.14(2) REM XDP (X-ray diffraction from a powder) REM RVP REM M PDF 15-776 RVAL 0.011 TEST Calculated density unusual but tolerable. (Code 23) COL ICSD Collection Code 66450 DATE Recorded Jan 6, 1993; updated Jun 29, 1998 NAME Aluminium silicon oxide (4.5/1.5/9.7) MINR Mullite - synthetic FORM Al4.54 Si1.46 O9.73 = Al4.54 O9.73 Si1.46 TITL Structure refinement of mullite by the rietveld method and a new method for estimation of chemical composition REF Journal of the American Ceramic Society JACTA 75 (1992) 227-230 AUT Ban T, OkadaÿK CELL a=7.542 b=7.696 c=2.884 à=90.0 á=90.0 ç=90.0 V=167.4 D=3.00 Z=1 SGR P b a m (55) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oP16 ANX A3X5 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Al 1 3.000 2a 0. 0. 0. Al 2 3.000 4h 0.1487 0.3411 1/2 0.5 Si 2 4.000 4h 0.1487 0.3411 1/2 0.366 Al 3 3.000 4h 0.2641 0.2067 1/2 0.134 O 1 -2.000 4h 0.3573 0.4224 1/2 O 2 -2.000 4g 0.1275 0.2204 0. O 3 -2.000 2d 1/2 0. 1/2 0.598(3) O 4 -2.000 4h 0.4432 0.0522 1/2 0.134 WYCK h4 g d a ITF Al 1 B=1.08(2) ITF Al 2 B=1.08(2) ITF Si 2 B=1.08(2) ITF Al 3 B=1.08(2) ITF O 1 B=1.08(2) ITF O 2 B=1.08(2) ITF O 3 B=1.08(2) ITF O 4 B=1.08(2) REM XDP (X-ray diffraction from a powder) REM RVP REM M PDF 15-776 RVAL 0.013 TEST Calculated density unusual but tolerable. (Code 23) COL ICSD Collection Code 66451 DATE Recorded Jan 6, 1993; updated Jun 29, 1998 NAME Aluminium silicon oxide (4.5/1.5/9.7) MINR Mullite - synthetic FORM Al4.52 Si1.48 O9.74 = Al4.52 O9.74 Si1.48 TITL Structure refinement of mullite by the rietveld method and a new method for estimation of chemical composition REF Journal of the American Ceramic Society JACTA 75 (1992) 227-230 AUT Ban T, OkadaÿK CELL a=7.546 b=7.694 c=2.883 à=90.0 á=90.0 ç=90.0 V=167.4 D=3.00 Z=1 SGR P b a m (55) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oP16 ANX A3X5 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Al 1 3.000 2a 0. 0. 0. Al 2 3.000 4h 0.1487 0.3411 1/2 0.5 Si 2 4.000 4h 0.1487 0.3411 1/2 0.369 Al 3 3.000 4h 0.2604 0.2073 1/2 0.131 O 1 -2.000 4h 0.3575 0.4227 1/2 O 2 -2.000 4g 0.1273 0.2206 0. O 3 -2.000 2d 1/2 0. 1/2 0.607(4) O 4 -2.000 4h 0.4418 0.0522 1/2 0.131 WYCK h4 g d a ITF Al 1 B=1.61(2) ITF Al 2 B=1.61(2) ITF Si 2 B=1.61(2) ITF Al 3 B=1.61(2) ITF O 1 B=1.61(2) ITF O 2 B=1.61(2) ITF O 3 B=1.61(2) ITF O 4 B=1.61(2) REM XDP (X-ray diffraction from a powder) REM RVP REM M PDF 15-776 RVAL 0.015 TEST Calculated density unusual but tolerable. (Code 23) COL ICSD Collection Code 66452 DATE Recorded Jan 6, 1993; updated Jun 29, 1998 NAME Aluminium silicon oxide (4.6/1.4/9.7) MINR Mullite - synthetic FORM Al4.56 Si1.44 O9.72 = Al4.56 O9.72 Si1.44 TITL Structure refinement of mullite by the rietveld method and a new method for estimation of chemical composition REF Journal of the American Ceramic Society JACTA 75 (1992) 227-230 AUT Ban T, OkadaÿK CELL a=7.547 b=7.693 c=2.884 à=90.0 á=90.0 ç=90.0 V=167.4 D=3.00 Z=1 SGR P b a m (55) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oP16 ANX A3X5 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Al 1 3.000 2a 0. 0. 0. Al 2 3.000 4h 0.1488 0.3409 1/2 0.5 Si 2 4.000 4h 0.1488 0.3409 1/2 0.36 Al 3 3.000 4h 0.2626 0.2068 1/2 0.14 O 1 -2.000 4h 0.3577 0.4224 1/2 O 2 -2.000 4g 0.1269 0.2203 0. O 3 -2.000 2d 1/2 0. 1/2 0.580(4) O 4 -2.000 4h 0.4428 0.0557 1/2 0.14 WYCK h4 g d a ITF Al 1 B=1.23(2) ITF Al 2 B=1.23(2) ITF Si 2 B=1.23(2) ITF Al 3 B=1.23(2) ITF O 1 B=1.23(2) ITF O 2 B=1.23(2) ITF O 3 B=1.23(2) ITF O 4 B=1.23(2) REM XDP (X-ray diffraction from a powder) REM RVP REM M PDF 15-776 RVAL 0.015 TEST Calculated density unusual but tolerable. (Code 23) COL ICSD Collection Code 74008 DATE Recorded Jan 10, 1995; updated Jun 29, 1998 NAME Aluminium silicon oxide (4.5/1.5/9.8) MINR Mullite - synthetic, hot pressed FORM Al2 (Al2.5 Si1.5) O9.75 = Al4.5 O9.75 Si1.5 TITL Crystal structure and compressibility of 3:2 mullite REF American Mineralogist AMMIA 78 (1993) 1192-1196 AUT Balzar D, LedbetterÿH CELL a=7.543 b=7.692 c=2.884 à=90.0 á=90.0 ç=90.0 V=167.3 D=3.00 Z=1 SGR P b a m (55) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oP16 ANX A3X5 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Al 1 3.000 2a 0. 0. 0. Al 2 3.000 4h 0.1485 0.3407 1/2 0.525(2) Si 1 4.000 4h 0.1485 0.3407 1/2 0.342(2) Al 3 3.000 4h 0.261 0.2073 1/2 0.100(2) Si 2 4.000 4h 0.261 0.2073 1/2 0.033(2) O 1 -2.000 4h 0.3577 0.4235 1/2 O 2 -2.000 2d 1/2 0. 1/2 0.475(10) O 3 -2.000 4h 0.4635 0.0465 1/2 0.198(6) O 4 -2.000 4g 0.1265 0.2197 0. WYCK h4 g d a ITF Al 1 B=0.23(3) ITF Al 2 B=0.24(2) ITF Si 1 B=0.24(2) ITF Al 3 B=.0(1) ITF Si 2 B=.0(1) ITF O 1 B=2.12(4) ITF O 2 B=2.06(18) ITF O 3 B=4.53(36) ITF O 4 B=2.16(4) REM XDP (X-ray diffraction from a powder) REM RVP REM M PDF 15-776, R(Bragg)=0.077 RVAL 0.103 TEST Calculated density unusual but tolerable. (Code 23) TEST At least one temperature factor is implausible or meaningless but agrees with the value given in the paper. (Code 52) COL ICSD Collection Code 75305 DATE Recorded Apr 22, 1996; updated Jun 29, 1998 NAME Aluminium silicon oxide * MINR Mullite - synthetic from gel, annealed at1273 K for 15 h FORM Al5.65 Si0.35 O9.175 = Al5.65 O9.175 Si.35 TITL Crystal structure of Al-rich mullite REF American Mineralogist AMMIA 79 (1994) 983-990 AUT Fischer R X, SchneiderÿH, SchmueckerÿM CELL a=7.739 b=7.611 c=2.918 à=90.0 á=90.0 ç=90.0 V=171.9 D=3.00 Z=1 SGR P b a m (55) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oP15 ANX A2X3 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Al 1 3.000 2a 0. 0. 0. Al 2 3.000 4h 0.1479 0.3317 1/2 0.5 Si 1 4.000 4h 0.1479 0.3317 1/2 0.0875 Al 3 3.000 4h 0.259 0.2203 1/2 0.2937 Al 4 3.000 4h 0.335 0.103 1/2 0.1187 O 1 -2.000 4h 0.3539 0.4209 1/2 O 2 -2.000 4h 0.47 0.028 1/2 0.2937 O 3 -2.000 4g 0.1336 0.2164 0. WYCK h5 g a ITF Al 1 B=1.93(8) ITF Al 2 B=0.16(6) ITF Si 1 B=0.16(6) ITF Al 3 B=0.5(1) ITF Al 4 B=3.(1) ITF O 1 B=1.9(1) ITF O 2 B=4.2(5) ITF O 3 B=2.9(1) REM XDP (X-ray diffraction from a powder) REM RVP REM M PDF 15-776, R(Bragg)=0.0728, for ordered proposal cp. 64864 RVAL 0.068 TEST At least one temperature factor is implausible or meaningless but agrees with the value given in the paper. (Code 52)