COL ICSD Collection Code 20593 DATE Recorded Jan 1, 1980; updated Dec 21, 1984 NAME ALUMINIUM HYDROXOSILICATE MINR Kaolinite - sample 553A from collection of Vikulov M.F. FORM Al2 Si2 O5 (O H)4 = H4 Al2 O9 Si2 TITL The electronographic determination of Kaolinite structure REF Doklady Akademii Nauk SSSR DANKA 130 (1960) 1023-1026 AUT Zvyagin B B CELL a=5.140 b=8.910 c=7.260 à=91.7 á=104.7 ç=90.0 V=321.5 Z=2 SGR P -1 (2) - triclinic CLAS -1 (Hermann-Mauguin) - Ci (Schoenflies) PRS aP34 ANX A2B2X9 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- OH1 1 -2.000 2i -0.223 0.175 -0.128 OH1 2 -2.000 2i -0.696 -0.003 -0.136 OH1 3 -2.000 2i -0.723 0.321 -0.128 O 4 -2.000 2i -0.263 0.322 0.155 O 5 -2.000 2i -0.304 0.004 0.157 OH1 6 -2.000 2i -0.763 0.186 0.155 O 7 -2.000 2i -0.385 -0.105 0.455 O 8 -2.000 2i -0.209 0.177 0.475 O 9 -2.000 2i 0.112 -0.041 0.454 Al 1 3.000 2i -1/2 0.171 0.002 Al 2 3.000 2i 0. 1/3 0. Si 1 4.000 2i -0.195 0.002 0.384 Si 2 4.000 2i -0.195 0.339 0.386 H 1 1.000 2i 8 Atoms not located in Unit Cell WYCK i13 RVAL 0.210 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 27713 DATE Recorded Jan 1, 1980; updated Jun 7, 1985 NAME Aluminium hydroxide silicate * MINR Kaolinite FORM Al2 Si2 O5 (O H)4 = H4 Al2 O9 Si2 TITL An x-ray study of a single crystal of Kaolinite REF Kristallografiya KRISA 5 (1960) 224-227 AUT Drits V A, KashaevÿAÿA CELL a=5.140 b=8.930 c=7.370 à=91.8 á=104.5 ç=90.0 V=327.3 Z=1 SGR P 1 (1) - triclinic CLAS 1 (Hermann-Mauguin) - C1 (Schoenflies) PRS aP17 ANX A2B2X9 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- OH1 1 -2.000 1a 0.778 0.18 -0.14 OH1 2 -2.000 1a 0.278 0.32 -0.138 OH1 3 -2.000 1a 0.316 -0.008 -0.136 OH1 4 -2.000 1a 0.248 0.184 0.155 O 5 -2.000 1a 0.754 0.315 0.155 O 6 -2.000 1a 0.69 0.004 0.157 O 7 -2.000 1a 0.791 0.165 0.482 O 8 -2.000 1a 0.612 -0.12 0.455 O 9 -2.000 1a 0.108 -0.058 0.455 Al 1 3.000 1a 0.502 0.172 0.003 Al 2 3.000 1a 0.002 0.33 0.002 Si 1 4.000 1a 0.8 0.322 0.382 Si 2 4.000 1a 0.8 0. 0.385 H 1 1.000 1a 4 Atoms not located in Unit Cell WYCK a13 RVAL 0.154 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 27715 DATE Recorded Jan 1, 1980; updated Jun 7, 1985 NAME Aluminium hydroxide silicate * MINR Kaolinite FORM Al2 Si2 O5 (O H)4 = H4 Al2 O9 Si2 TITL Electron-diffraction determination of the structure of Kaolinite REF Kristallografiya KRISA 5 (1960) 40-50 AUT Zvyagin B B CELL a=5.130 b=8.890 c=7.250 à=91.7 á=104.7 ç=90.0 V=319.7 Z=1 SGR P 1 (1) - triclinic CLAS 1 (Hermann-Mauguin) - C1 (Schoenflies) PRS aP17 ANX A2B2X9 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- OH1 1 -2.000 1a -0.223 0.175 -0.128 OH1 2 -2.000 1a -0.696 -0.003 -0.136 OH1 3 -2.000 1a -0.723 0.321 -0.128 O 4 -2.000 1a -0.263 0.322 0.155 O 5 -2.000 1a -0.304 0.004 0.157 OH1 6 -2.000 1a -0.763 0.186 0.155 O 7 -2.000 1a -0.385 -0.105 0.455 O 8 -2.000 1a -0.209 0.177 0.475 O 9 -2.000 1a 0.112 -0.041 0.454 Al 1 3.000 1a -1/2 0.171 0.002 Al 2 3.000 1a 0. 1/3 0. Si 1 4.000 1a -0.195 0.002 0.384 Si 2 4.000 1a -0.195 0.339 0.386 H 1 1.000 1a 4 Atoms not located in Unit Cell WYCK a13 REM EDP (electron diffraction from a powder) RVAL 0.210 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 30285 DATE Recorded Jan 1, 1980 NAME Aluminium silicate hydroxide * MINR Kaolinite - from Brooklyn, New York FORM Al2 Si2 O5 (O H)4 = H4 Al2 O9 Si2 TITL The Crystal Structure of Kaolinite REF Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) ZEKGA 83 (1932) 75-88 AUT Gruner W J CELL a=5.140 b=8.900 c=14.510 à=90.0 á=100.2 ç=90.0 V=653.3 Z=4 SGR C 1 c 1 (9) - monoclinic CLAS m (Hermann-Mauguin) - Cs (Schoenflies) PRS mC68 ANX A2B2X9 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Al 1 3.000 4a 1/4 -1/6 0. Al 2 3.000 4a 1/4 1/6 0. Si 1 4.000 4a 0.008 1/2 0.188 Si 2 4.000 4a 0.008 1/6 0.188 O 1 -2.000 4a -0.046 1/2 0.076 O 2 -2.000 4a -0.046 1/6 0.076 OH1 3 -2.000 4a -0.046 -1/6 0.076 O 4 -2.000 4a 0.033 1/3 0.229 O 5 -2.000 4a 0.283 -0.417 0.229 O 6 -2.000 4a 0.283 0.083 0.229 OH1 7 -2.000 4a 0.046 0. 0.424 OH1 8 -2.000 4a -0.454 1/6 0.424 OH1 9 -2.000 4a 0.046 1/3 0.424 H 1 1.000 4a 16 Atoms not located in Unit Cell WYCK a13 REM XDP (X-ray diffraction from a powder) TEST No R value given in the paper. (Code 51) TEST At least one temperature factor missing in the paper. (Code 53) COL ICSD Collection Code 31135 DATE Recorded Aug 8, 1986; updated Aug 8, 1986 NAME Aluminium silicate hydroxide * MINR Kaolinite FORM Al2 Si2 O5 (O H)4 = H4 Al2 O9 Si2 TITL The structure of kaolinite. REF Mineralogical Magazine and Journal of the Mineralogical Society (1876-1968) MIASA 27 (1946) 242-253 AUT Brindley G W, RobinsonÿK CELL a=5.140 b=8.930 c=7.370 à=91.8 á=104.5 ç=90.0 V=327.3 Z=2 SGR P 1 (1) - triclinic CLAS 1 (Hermann-Mauguin) - C1 (Schoenflies) PRS aP34 ANX A2B2X9 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Al 1 3.000 1a 0.331 0.511 0.456 Al 2 3.000 1a 0.831 0.011 0.456 Al 3 3.000 1a 0.331 0.844 0.455 Al 4 3.000 1a 0.831 0.344 0.455 Si 1 4.000 1a 0.031 0.336 0.085 Si 2 4.000 1a 0.531 0.836 0.085 Si 3 4.000 1a 0.031 0.669 0.085 Si 4 4.000 1a 0.531 0.169 0.085 O 1 -2.000 1a 0. 1/2 0. O 2 -2.000 1a 1/2 0. 0. O 3 -2.000 1a 1/4 1/4 0. O 4 -2.000 1a 3/4 3/4 0. O 5 -2.000 1a 1/4 3/4 0. O 6 -2.000 1a 3/4 1/4 0. O 7 -2.000 1a 0.11 0.342 0.307 O 8 -2.000 1a 0.61 0.842 0.307 O 9 -2.000 1a 0.11 0.675 0.307 O 10 -2.000 1a 0.611 0.175 0.307 OH1 11 -2.000 1a 0.11 0.008 0.307 OH1 12 -2.000 1a 0.61 0.508 0.307 OH1 13 -2.000 1a 0.05 0.182 0.603 OH1 14 -2.000 1a 0.55 0.682 0.603 OH1 15 -2.000 1a 0.05 0.515 0.603 OH1 16 -2.000 1a 0.55 0.015 0.603 OH1 17 -2.000 1a 0.05 0.847 0.603 OH1 18 -2.000 1a 0.55 0.347 0.603 H 1 1.000 1a 8 Atoms not located in Unit Cell WYCK a26 TEST No R value given in the paper. (Code 51) TEST At least one temperature factor missing in the paper. (Code 53) COL ICSD Collection Code 63192 DATE Recorded Jun 8, 1990 NAME Aluminium hydroxide silicate * MINR Kaolinite - from Keokuk, Iowa, USA FORM Al2 (Si2 O5) (O H)4 = H4 Al2 O9 Si2 TITL Rietveld refinement of non-hydrogen atomic positions in kaolinite REF Clays and Clay Minerals (29,1981-) CLCMA 37 (1989) 289-296 AUT Bish D L, Von DreeleÿRÿB CELL a=5.155 b=8.945 c=7.405 à=91.7 á=104.9 ç=89.8 V=329.9 Z=2 SGR C 1 (1) - triclinic CLAS 1 (Hermann-Mauguin) - C1 (Schoenflies) PRS aC34 ANX A2B2X9 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Si 1 4.000 2* 0.9942 0.3393 0.0909 Si 2 4.000 2* 0.5064 0.1665 0.0913 Al 1 3.000 2* 0.2971 0.4957 0.4721 Al 2 3.000 2* 0.7926 0.33 0.4699 O 1 -2.000 2* 0.0501 0.3539 0.317 O 2 -2.000 2* 0.1214 0.6604 0.3175 O 3 -2.000 2* 0. 1/2 0. O 4 -2.000 2* 0.2085 0.2305 0.0247 O 5 -2.000 2* 0.2012 0.7657 0.0032 OH1 6 -2.000 2* 0.051 0.9698 0.322 OH1 7 -2.000 2* 0.9649 0.1665 0.6051 OH1 8 -2.000 2* 0.0348 0.4769 0.608 OH1 9 -2.000 2* 0.0334 0.857 0.6094 H 1 1.000 8 Atoms not located in Unit Cell ITF Si 1 U=0.0056(5) ITF Si 2 U=0.0056(5) ITF Al 1 U=0.0105(6) ITF Al 2 U=0.0105(6) ITF O 1 U=0.0090(8) ITF O 2 U=0.0090(8) ITF O 3 U=0.0090(8) ITF O 4 U=0.0090(8) ITF O 5 U=0.0090(8) ITF O 6 U=0.0114(8) ITF O 7 U=0.0114(8) ITF O 8 U=0.0114(8) ITF O 9 U=0.0114(8) REM XDP (X-ray diffraction from a powder) REM RVP RVAL 0.093 COL ICSD Collection Code 63315 DATE Recorded Dec 27, 1990 NAME Aluminium silicate hydroxide * MINR Kaolinite - from Keokuk, Iowa FORM Al4 (O H)8 (Si4 O10) = H8 Al4 O18 Si4 TITL Verification of the Triclinic Crystal Structure of Kaolinite REF Clays and Clay Minerals (-28,1980) CCMPA 36 (1988) 225-232 AUT Young R A, HewatÿAÿW CELL a=5.149 b=8.934 c=7.384 à=91.9 á=105.0 ç=89.8 V=327.8 Z=1 SGR P 1 (1) - triclinic CLAS 1 (Hermann-Mauguin) - C1 (Schoenflies) PRS aP34 ANX A2B2X9 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Al 1 3.000 1a 0.354 0.505 0.47 Al 2 3.000 1a 0.373 0.829 0.451 Al 3 3.000 1a 0.876 0.997 0.47 Al 4 3.000 1a 0.848 0.331 0.46 Si 1 4.000 1a 0.067 0.349 0.056 Si 2 4.000 1a 0.083 0.65 0.086 Si 3 4.000 1a 0.543 0.841 0.076 Si 4 4.000 1a 0.561 0.181 0.067 O 1 -2.000 1a 0.11 0.342 0.307 O 2 -2.000 1a 0.148 0.661 0.29 O 3 -2.000 1a 0.082 0.488 0.973 O 4 -2.000 1a 0.259 0.22 0.98 O 5 -2.000 1a 0.234 0.768 0.965 O 6 -2.000 1a 0.626 0.843 0.294 O 7 -2.000 1a 0.685 0.157 0.307 O 8 -2.000 1a 0.548 0.003 0.976 O 9 -2.000 1a 0.771 0.725 0.03 O 10 -2.000 1a 0.766 0.262 0.982 O 11 -2.000 1a 0.117 0.967 0.312 O 12 -2.000 1a 0.024 0.172 0.584 O 13 -2.000 1a 0.128 0.465 0.585 O 14 -2.000 1a 0.106 0.843 0.599 O 15 -2.000 1a 0.607 0.468 0.304 O 16 -2.000 1a 0.524 0.66 0.591 O 17 -2.000 1a 0.593 0.974 0.577 O 18 -2.000 1a 0.582 0.369 0.585 H 1 1.000 1a 0.244 0.072 0.344 H 2 1.000 1a 0.173 0.187 0.713 H 3 1.000 1a 0.073 0.526 0.705 H 4 1.000 1a 0.083 0.838 0.715 H 5 1.000 1a 0.691 0.552 0.252 H 6 1.000 1a 0.623 0.647 0.72 H 7 1.000 1a 0.593 0.982 0.722 H 8 1.000 1a 0.606 0.295 0.704 WYCK a26 REM RVP REM NDP (neutron diffraction from a powder) RVAL 0.011 TEST At least one temperature factor missing in the paper. (Code 53) COL ICSD Collection Code 63316 DATE Recorded Dec 27, 1990 NAME Aluminium silicate hydroxide * MINR Kaolinite - from Keokuk, Iowa FORM Al4 (O H)8 (Si4 O10) = H8 Al4 O18 Si4 TITL Verification of the Triclinic Crystal Structure of Kaolinite REF Clays and Clay Minerals (-28,1980) CCMPA 36 (1988) 225-232 AUT Young R A, HewatÿAÿW CELL a=5.150 b=8.935 c=7.385 à=91.9 á=105.0 ç=89.8 V=328.0 Z=1 SGR P 1 (1) - triclinic CLAS 1 (Hermann-Mauguin) - C1 (Schoenflies) PRS aP34 ANX A2B2X9 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Al 1 3.000 1a 0.352 0.501 0.471 Al 2 3.000 1a 0.37 0.83 0.447 Al 3 3.000 1a 0.862 -0.001 0.465 Al 4 3.000 1a 0.852 0.329 0.464 Si 1 4.000 1a 0.058 0.347 0.058 Si 2 4.000 1a 0.076 0.654 0.088 Si 3 4.000 1a 0.551 0.842 0.08 Si 4 4.000 1a 0.571 0.171 0.069 O 1 -2.000 1a 0.11 0.342 0.307 O 2 -2.000 1a 0.156 0.659 0.289 O 3 -2.000 1a 0.089 0.487 -0.022 O 4 -2.000 1a 0.261 0.227 -0.018 O 5 -2.000 1a 0.242 0.765 -0.029 O 6 -2.000 1a 0.626 0.845 0.296 O 7 -2.000 1a 0.685 0.154 0.311 O 8 -2.000 1a 0.549 -0.001 -0.019 O 9 -2.000 1a 0.772 0.72 0.038 O 10 -2.000 1a 0.772 0.26 -0.014 O 11 -2.000 1a 0.116 -0.033 0.312 O 12 -2.000 1a 0.018 0.17 0.583 O 13 -2.000 1a 0.126 0.469 0.589 O 14 -2.000 1a 0.106 0.837 0.597 O 15 -2.000 1a 0.609 0.465 0.308 O 16 -2.000 1a 0.525 0.657 0.597 O 17 -2.000 1a 0.593 -0.028 0.581 O 18 -2.000 1a 0.59 0.367 0.591 H 1 1.000 1a 0.237 0.068 0.343 H 2 1.000 1a 0.159 0.185 0.712 H 3 1.000 1a 0.063 0.527 0.704 H 4 1.000 1a 0.078 0.832 0.713 H 5 1.000 1a 0.682 0.552 0.256 H 6 1.000 1a 0.62 0.65 0.726 H 7 1.000 1a 0.593 -0.021 0.722 H 8 1.000 1a 0.611 0.292 0.7 WYCK a26 REM RVP REM NDP (neutron diffraction from a powder) RVAL 0.020 TEST At least one temperature factor missing in the paper. (Code 53) COL ICSD Collection Code 68697 DATE Recorded Jan 20, 1992 NAME Aluminium phyllo-silicate hydroxide (2/2/4) MINR Kaolinite - from Keokuk, Iowa, USA FORM Al2 (Si2 O5) (O H)4 = H4 Al2 O9 Si2 TITL New X-ray rietveld refinement of kaolinite from Keokuk, Iowa REF Crystal Research and Technology CRTED 25 (1990) 105-110 Issue 1 AUT Smrcok L, GyepesovaÿD, ChmielovaÿM CELL a=5.155 b=8.944 c=7.405 à=91.7 á=104.8 ç=89.8 V=329.9 Z=2 SGR C 1 (1) - triclinic CLAS 1 (Hermann-Mauguin) - C1 (Schoenflies) PRS aC34 ANX A2B2X9 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- OH1 1 -2.000 2i 0.7782 0.1855 -0.1251 OH1 2 -2.000 2i 0.2773 0.3044 -0.1153 OH1 3 -2.000 2i 0.2997 -0.0184 -0.1222 OH1 4 -2.000 2i 0.2119 0.181 0.1667 O 5 -2.000 2i 0.7486 0.3132 0.1774 O 6 -2.000 2i 0.6802 -0.0062 0.1618 O 7 -2.000 2i 0.7886 0.1614 0.4888 O 8 -2.000 2i 0.6028 -0.1072 0.4792 O 9 -2.000 2i 0.1113 -0.0615 0.467 Al 1 3.000 2i 0.5007 0.1664 0.0117 Al 2 3.000 2i -0.0049 0.3291 0.0071 Si 1 4.000 2i 0.8004 0.3154 0.3962 Si 2 4.000 2i 0.7934 -0.0097 0.3955 H 1 1.000 2i 8 Atoms not located in Unit Cell WYCK i13 ITF O 1 U=0.006(3) ITF O 2 U=0.006(3) ITF O 3 U=0.006(3) ITF O 4 U=0.006(3) ITF O 5 U=0.006(3) ITF O 6 U=0.006(3) ITF O 7 U=0.006(3) ITF O 8 U=0.006(3) ITF O 9 U=0.006(3) ITF Al 1 U=0.011(4) ITF Al 2 U=0.011(4) ITF Si 1 U=0.009(3) ITF Si 2 U=0.009(3) REM REF (refinement of earlier measured intensity data) RVAL 0.092 TEST At least one temperature factor missing in the paper. (Code 53) COL ICSD Collection Code 68698 DATE Recorded Jan 20, 1992 NAME Aluminium phyllo-silicate hydroxide (2/2/4) MINR Kaolinite - from Kalabsha, Egypt FORM Al2 (Si2 O5) (O H)4 = H4 Al2 O9 Si2 TITL Crystal structure analysis and refinement of Kalabsha Kaolinite (Al2Si2O5(OH)4) REF Crystal Research and Technology CRTED 25 (1990) 305-312 Issue 3 AUT El Sayed K, HeibaÿZÿK, Abdel RahmanÿAÿM CELL a=5.158 b=8.942 c=7.397 à=91.7 á=104.9 ç=89.9 V=329.6 Z=2 SGR P 1 (1) - triclinic CLAS 1 (Hermann-Mauguin) - C1 (Schoenflies) PRS aP34 ANX A2B2X9 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Al 1 3.000 1a 0.3608 0.4995 0.4502 Al 2 3.000 1a 0.3422 0.8247 0.427 Al 3 3.000 1a 0.8565 -0.0114 0.4525 Al 4 3.000 1a 0.8475 0.3214 0.4686 Si 1 4.000 1a 0.0503 0.3266 0.0708 Si 2 4.000 1a 0.0677 0.6681 0.0624 Si 3 4.000 1a 0.5411 0.8347 0.0566 Si 4 4.000 1a 0.5753 0.1577 0.0719 O 1 -2.000 1a 0.11 0.342 0.307 O 2 -2.000 1a 0.1844 0.6594 0.2873 O 3 -2.000 1a 0.0242 0.4831 -0.0163 O 4 -2.000 1a 0.2717 0.2194 -0.0084 O 5 -2.000 1a 0.2456 0.7596 -0.0285 O 6 -2.000 1a 0.6126 0.8431 0.2978 O 7 -2.000 1a 0.6725 0.1635 0.2967 O 8 -2.000 1a 0.5801 0.0002 -0.019 O 9 -2.000 1a 0.7465 0.7291 0. O 10 -2.000 1a 0.7537 0.2604 -0.0201 OH1 11 -2.000 1a 0.1317 -0.0246 0.3115 OH1 12 -2.000 1a 0.0342 0.1657 0.5814 OH1 13 -2.000 1a 0.0893 0.4645 0.5901 OH1 14 -2.000 1a 0.1011 0.8432 0.5883 OH1 15 -2.000 1a 0.6215 0.4654 0.2758 OH1 16 -2.000 1a 0.5222 0.6757 0.5749 OH1 17 -2.000 1a 0.5924 -0.0338 0.5803 OH1 18 -2.000 1a 0.5724 0.349 0.5665 H 1 1.000 1a 8 Atoms not located in Unit Cell WYCK a26 REM XDP (X-ray diffraction from a powder) RVAL 0.037 TEST At least one temperature factor missing in the paper. (Code 53) COL ICSD Collection Code 66571 DATE Recorded Jan 19, 1994 NAME Dialuminium phyllo-disilicate tetrahydrate MINR Kaolinite FORM Al2 (Si2 O5) (O H)4 = H4 Al2 O9 Si2 TITL Energy-minimized hydrogen-atom positions of kaolinite REF Acta Crystallographica B (39,1983-) ASBSD 47 (1991) 678-682 REF Clays and Clay Minerals (29,1981-) CLCMA 37 (1989) 289-296 AUT Collins D R, CatlowÿCÿRÿA CELL a=5.155 b=8.945 c=7.405 à=91.7 á=104.9 ç=89.8 V=329.9 Z=2 SGR C 1 (1) - triclinic CLAS 1 (Hermann-Mauguin) - C1 (Schoenflies) PRS aC34 ANX A2B2X9 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Si 1 4.000 2a 0.9942 0.3393 0.0909 Si 2 4.000 2a 0.5064 1/6 0.0913 Al 1 3.000 2a 0.2971 0.4957 0.4721 Al 2 3.000 2a 0.7926 0.33 0.4699 O 1 -2.000 2a 0.0501 0.3539 0.317 O 2 -2.000 2a 0.1214 0.6604 0.3175 O 3 -2.000 2a 0. 1/2 0. O 4 -2.000 2a 0.2085 0.2305 0.0247 O 5 -2.000 2a 0.2012 0.7657 0.0032 OH1 6 -2.000 2a 0.051 0.9698 0.322 OH1 7 -2.000 2a 0.9649 1/6 0.6051 OH1 8 -2.000 2a 0.0348 0.4769 0.608 OH1 9 -2.000 2a 0.0334 0.857 0.6094 H 1 1.000 2a 0.1492 0.0664 1/3 H 2 1.000 2a 0.0768 0.1742 0.7363 H 3 1.000 2a 0.0353 0.5058 0.7392 H 4 1.000 2a 0.0558 0.8175 0.7374 WYCK a13 REM THE (structure thoretically calculated) TEST No R value given in the paper. (Code 51) TEST At least one temperature factor missing in the paper. (Code 53) COL ICSD Collection Code 80082 DATE Recorded Oct 14, 1996 NAME Dialuminium phyllo-didilicate tetrahydroxide MINR Kaolinite - from Keokuk, Iowa, USA MINR Kaolinite-serpentine group FORM Al2 (Si2 O5) (O H)4 = H4 Al2 O9 Si2 TITL Rietveld refinement of the kaolinite structure at 1.5K REF Clays and Clay Minerals (29,1981-) CLCMA 41 (1993) 738-744 Issue 6 AUT Bish D L CELL a=5.154 b=8.942 c=7.391 à=91.9 á=105.0 ç=89.8 V=328.7 Z=2 SGR C 1 (1) - triclinic CLAS 1 (Hermann-Mauguin) - C1 (Schoenflies) PRS aC34 ANX A2B2X9 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Al 1 3.000 2a 0.289 0.4966 0.466 Al 2 3.000 2a 0.793 0.3288 0.465 Si 1 4.000 2a 0.989 0.3395 0.0906 Si 2 4.000 2a 0.507 0.1665 0.0938 O 1 -2.000 2a 0.049 0.3482 0.3168 O 2 -2.000 2a 0.113 0.6599 0.3188 O 3 -2.000 2a 0. 1/2 0. O 4 -2.000 2a 0.204 0.2291 0.03 O 5 -2.000 2a 0.197 0.7641 0.001 OH1 6 -2.000 2a 0.05 0.971 0.325 OH1 7 -2.000 2a 0.96 0.1658 0.607 OH1 8 -2.000 2a 0.037 0.4726 0.6046 OH1 9 -2.000 2a 0.038 0.8582 0.609 H 1 1.000 2a 0.145 0.0651 0.326 H 2 1.000 2a 0.063 0.1638 0.739 H 3 1.000 2a 0.036 0.5057 0.732 H 4 1.000 2a 0.534 0.3154 0.728 WYCK a13 ITF Al 1 U=0.040(1) ITF Al 2 U=0.040(1) ITF Si 1 U=0.042(2) ITF Si 2 U=0.042(2) ITF O 1 U=0.044(1) ITF O 2 U=0.044(1) ITF O 3 U=0.044(1) ITF O 4 U=0.044(1) ITF O 5 U=0.044(1) ITF O 6 U=0.039(1) ITF O 7 U=0.039(1) ITF O 8 U=0.039(1) ITF O 9 U=0.039(1) ÿ TF Atom U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) H 1 0.0330 0.0500 0.1100 0.0190 0.0330 0.0060 H 2 0.0840 0.0510 -0.0080 -0.0110 -0.0100 -0.0140 H 3 0.0660 0.0800 0.0280 0.0250 0.0160 0.0030 H 4 0.0670 0.0930 -0.0240 0.0000 -0.0060 0.0250 REM TEM 1.5 REM NDP (neutron diffraction from a powder) REM RVP RVAL 0.016 TEST At least one temperature factor is implausible or meaningless but agrees with the value given in the paper. (Code 52)