COL ICSD Collection Code 15768 DATE Recorded Jan 1, 1980 NAME Lithium oxomanganate(III) FORM Li Mn O2 = Li Mn O2 TITL Ueber Li Mn O2 und beta Na Mn O2 REF Zeitschrift fuer Anorganische und Allgemeine Chemie ZAACA 417 (1975) 1-10 AUT Hoppe R, BrachtelÿG, JansenÿM CELL a=2.805 b=5.757 c=4.572 à=90.0 á=90.0 ç=90.0 V=73.8 D=4.20 Z=2 SGR P m n m Z (59) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oP8 ANX ABX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Mn 1 3.000 2a 1/4 0.6347 1/4 Li 1 1.000 2a 1/4 0.126 1/4 O 1 -2.000 2b 1/4 0.144 3/4 O 2 -2.000 2b 1/4 0.602 3/4 WYCK b2 a2 ITF Mn 1 B=0.27 ITF Li 1 B=1.8 ITF O 1 B=0.3 ITF O 2 B=1.1 RVAL 0.067 COL ICSD Collection Code 15769 DATE Recorded Jan 1, 1980 NAME Sodium oxomanganate(III) - beta FORM Na Mn O2 = Mn Na O2 TITL Ueber Li Mn O2 und beta Na Mn O2 REF Zeitschrift fuer Anorganische und Allgemeine Chemie ZAACA 417 (1975) 1-10 AUT Hoppe R, BrachtelÿG, JansenÿM CELL a=2.859 b=6.338 c=4.785 à=90.0 á=90.0 ç=90.0 V=86.7 D=4.20 Z=2 SGR P m n m Z (59) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oP8 ANX ABX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Mn 1 3.000 2a 1/4 0.6265 1/4 Na 1 1.000 2a 1/4 0.133 1/4 O 1 -2.000 2b 1/4 0.172 3/4 O 2 -2.000 2b 1/4 0.582 3/4 WYCK b2 a2 ITF Mn 1 B=0.23 ITF Na 1 B=0.9 ITF O 1 B=0.5 ITF O 2 B=0.5 RVAL 0.120 COL ICSD Collection Code 16013 DATE Recorded Jan 1, 1980; updated May 18, 1988 NAME Iron(III) oxide chloride FORM Fe O Cl = Cl Fe O TITL Refinement of the crystal structure of iron oxychloride REF Acta Crystallographica B (24,1968-38,1982) ACBCA 26 (1970) 1058-1062 AUT Lind M D CELL a=3.780 b=7.917 c=3.302 à=90.0 á=90.0 ç=90.0 V=98.8 D=3.55 Z=2 SGR P m n m Z (59) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oP6 ANX AXY PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Fe 1 3.000 2b 1/4 0.11568 3/4 O 1 -2.000 2a 1/4 -0.04832 1/4 Cl 1 -1.000 2a 1/4 0.33003 1/4 WYCK b a2 ÿ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) Fe 1 0.0079 0.0036 0.0248 0.0000 0.0000 0.0000 O 1 0.0111 0.0029 0.0243 0.0000 0.0000 0.0000 Cl 1 0.0365 0.0039 0.0240 0.0000 0.0000 0.0000 REM B Origin shifted by .25 .0 .25 REM REF (refinement of earlier measured intensity data) RVAL 0.055 TEST Calculated density unusual but tolerable. (Code 23) COL ICSD Collection Code 202400 DATE Recorded May 17, 1988; updated May 13, 1997 NAME Sodium triniobate FORM Na Nb3 O8 = Na Nb3 O8 TITL The sodium niobate Na Nb3 O8: A novel lamellar oxide synthesized by soft chemistry REF Journal of Solid State Chemistry JSSCB 71 (1987) 182-188 AUT Nedjar R, BorelÿMÿM, LeclaireÿA, RaveauÿB CELL a=8.771 b=10.160 c=3.784 à=90.0 á=90.0 ç=90.0 V=337.2 Z=2 SGR P m n m Z (59) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oP24 ANX AB3X8 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Nb 1 5.000 4f 0.94 0.76 1/4 Nb 2 5.000 2a 1/4 0.48 1/4 Na 1 1.000 2b 1/4 0.92 3/4 O 1 -2.000 4f 0.44 0.28 1/4 O 2 -2.000 4f 0.03 0.9 1/4 O 3 -2.000 4f 0.09 0.58 1/4 O 4 -2.000 2b 1/4 0.41 3/4 O 5 -2.000 2b 1/4 0.14 3/4 WYCK f4 b3 a ITF Nb 1 B=0.6 ITF Nb 2 B=0.6 ITF Na 1 B=0.8 ITF O 1 B=1. ITF O 2 B=1. ITF O 3 B=1. ITF O 4 B=1. ITF O 5 B=1. REM XDP (X-ray diffraction from a powder) RVAL 0.070 COL ICSD Collection Code 81049 DATE Recorded May 13, 1997 NAME Lithium manganese(III) oxide FORM Li Mn O2 = Li Mn O2 FORM Li0.96 Mn O2 TITL Preparation, physical and structural characterization of Li Mn O2 samples with variable cationic disorder REF Journal of Materials Chemistry JMACE 5 (1995) 1919-1925 Issue 5 AUT Croguennec L, DeniardÿP, BrecÿR, LecerfÿA CELL a=4.578 b=5.749 c=2.805 à=90.0 á=90.0 ç=90.0 V=73.8 D=4.25 Z=2 SGR P m n m Z (59) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oP8 ANX ABX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Mn 1 3.000 2a 1/4 0.63 1/4 0.929(3) Li 1 1.000 2a 1/4 0.63 1/4 0.071(3) Mn 2 3.000 2a 1/4 0.099 1/4 0.071(3) Li 2 1.000 2a 1/4 0.099 1/4 0.929(3) O 1 -2.000 2b 3/4 0.132 1/4 O 2 -2.000 2b 3/4 0.612 1/4 WYCK b2 a2 ITF Mn 1 B=0.5 ITF Li 1 B=0.5 ITF Mn 2 B=1. ITF Li 2 B=1. ITF O 1 B=1. ITF O 2 B=1. REM XDP (X-ray diffraction from a powder) REM RVP REM F Statements on the sample composition are ambiguous RVAL 0.055 COL ICSD Collection Code 81050 DATE Recorded May 13, 1997 NAME Lithium manganese(III) oxide FORM Li Mn O2 = Li Mn O2 FORM Li0.98 Mn O2 TITL Preparation, physical and structural characterization of Li Mn O2 samples with variable cationic disorder REF Journal of Materials Chemistry JMACE 5 (1995) 1919-1925 Issue 5 AUT Croguennec L, DeniardÿP, BrecÿR, LecerfÿA CELL a=4.581 b=5.749 c=2.805 à=90.0 á=90.0 ç=90.0 V=73.9 D=4.22 Z=2 SGR P m n m Z (59) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oP8 ANX ABX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Mn 1 3.000 2a 1/4 0.633 1/4 0.935(3) Li 1 1.000 2a 1/4 0.633 1/4 0.065(3) Mn 2 3.000 2a 1/4 0.095 1/4 0.065(3) Li 2 1.000 2a 1/4 0.095 1/4 0.935(3) O 1 -2.000 2b 3/4 0.134 1/4 O 2 -2.000 2b 3/4 0.605 1/4 WYCK b2 a2 ITF Mn 1 B=0.5 ITF Li 1 B=0.5 ITF Mn 2 B=1. ITF Li 2 B=1. ITF O 1 B=1. ITF O 2 B=1. REM XDP (X-ray diffraction from a powder) REM RVP REM F Statements on the sample composition are ambiguous RVAL 0.037 COL ICSD Collection Code 81051 DATE Recorded May 13, 1997 NAME Lithium manganese(III) oxide FORM Li Mn O2 = Li Mn O2 TITL Preparation, physical and structural characterization of Li Mn O2 samples with variable cationic disorder REF Journal of Materials Chemistry JMACE 5 (1995) 1919-1925 Issue 5 AUT Croguennec L, DeniardÿP, BrecÿR, LecerfÿA CELL a=4.582 b=5.753 c=2.807 à=90.0 á=90.0 ç=90.0 V=74.0 D=4.22 Z=2 SGR P m n m Z (59) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oP8 ANX ABX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Mn 1 3.000 2a 1/4 0.6303 1/4 0.901(2) Li 1 1.000 2a 1/4 0.6303 1/4 0.099(2) Mn 2 3.000 2a 1/4 0.093 1/4 0.099(2) Li 2 1.000 2a 1/4 0.093 1/4 0.901(2) O 1 -2.000 2b 3/4 0.139 1/4 O 2 -2.000 2b 3/4 0.607 1/4 WYCK b2 a2 ITF Mn 1 B=0.5 ITF Li 1 B=0.5 ITF Mn 2 B=1. ITF Li 2 B=1. ITF O 1 B=1. ITF O 2 B=1. REM XDP (X-ray diffraction from a powder) REM RVP REM F Statements on the sample composition are ambiguous RVAL 0.033 COL ICSD Collection Code 81052 DATE Recorded May 13, 1997 NAME Lithium manganese(III) oxide FORM Li Mn O2 = Li Mn O2 FORM Li Mn0.985 O2 TITL Preparation, physical and structural characterization of Li Mn O2 samples with variable cationic disorder REF Journal of Materials Chemistry JMACE 5 (1995) 1919-1925 Issue 5 AUT Croguennec L, DeniardÿP, BrecÿR, LecerfÿA CELL a=4.576 b=5.752 c=2.806 à=90.0 á=90.0 ç=90.0 V=73.9 D=4.18 Z=2 SGR P m n m Z (59) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oP8 ANX ABX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Mn 1 3.000 2a 1/4 0.6322 1/4 0.940(2) Li 1 1.000 2a 1/4 0.6322 1/4 0.060(2) Mn 2 3.000 2a 1/4 0.071 1/4 0.060(2) Li 2 1.000 2a 1/4 0.071 1/4 0.940(2) O 1 -2.000 2b 3/4 0.116 1/4 O 2 -2.000 2b 3/4 0.593 1/4 WYCK b2 a2 ITF Mn 1 B=0.5 ITF Li 1 B=0.5 ITF Mn 2 B=1. ITF Li 2 B=1. ITF O 1 B=1. ITF O 2 B=1. REM XDP (X-ray diffraction from a powder) REM RVP REM F Statements on the sample composition are ambiguous RVAL 0.043 TEST Calculated density unusual but tolerable. (Code 23) COL ICSD Collection Code 81053 DATE Recorded May 13, 1997 NAME Lithium manganese(III) oxide FORM Li Mn O2 = Li Mn O2 FORM Li Mn0.975 O2 TITL Preparation, physical and structural characterization of Li Mn O2 samples with variable cationic disorder REF Journal of Materials Chemistry JMACE 5 (1995) 1919-1925 Issue 5 AUT Croguennec L, DeniardÿP, BrecÿR, LecerfÿA CELL a=4.575 b=5.751 c=2.806 à=90.0 á=90.0 ç=90.0 V=73.8 D=4.16 Z=2 SGR P m n m Z (59) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oP8 ANX ABX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Mn 1 3.000 2a 1/4 0.6339 1/4 0.967(2) Li 1 1.000 2a 1/4 0.6339 1/4 0.033(2) Mn 2 3.000 2a 1/4 0.084 1/4 0.033(2) Li 2 1.000 2a 1/4 0.084 1/4 0.967(2) O 1 -2.000 2b 3/4 0.126 1/4 O 2 -2.000 2b 3/4 0.597 1/4 WYCK b2 a2 ITF Mn 1 B=0.5 ITF Li 1 B=0.5 ITF Mn 2 B=1. ITF Li 2 B=1. ITF O 1 B=1. ITF O 2 B=1. REM XDP (X-ray diffraction from a powder) REM RVP REM F Statements on the sample composition are ambiguous RVAL 0.035 TEST Calculated density unusual but tolerable. (Code 23) COL ICSD Collection Code 81054 DATE Recorded May 13, 1997 NAME Lithium manganese(III) oxide FORM Li Mn O2 = Li Mn O2 FORM Li Mn0.971 O2 TITL Preparation, physical and structural characterization of Li Mn O2 samples with variable cationic disorder REF Journal of Materials Chemistry JMACE 5 (1995) 1919-1925 Issue 5 AUT Croguennec L, DeniardÿP, BrecÿR, LecerfÿA CELL a=4.577 b=5.756 c=2.808 à=90.0 á=90.0 ç=90.0 V=74.0 D=4.04 Z=2 SGR P m n m Z (59) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oP8 ANX ABX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Mn 1 3.000 2a 1/4 0.6323 1/4 0.958(2) Li 1 1.000 2a 1/4 0.6323 1/4 0.042(2) Mn 2 3.000 2a 1/4 0.078 1/4 0.042(2) Li 2 1.000 2a 1/4 0.078 1/4 0.958(2) O 1 -2.000 2b 3/4 0.121 1/4 O 2 -2.000 2b 3/4 0.593 1/4 WYCK b2 a2 ITF Mn 1 B=0.5 ITF Li 1 B=0.5 ITF Mn 2 B=1. ITF Li 2 B=1. ITF O 1 B=1. ITF O 2 B=1. REM XDP (X-ray diffraction from a powder) REM RVP REM F Statements on the sample composition are ambiguous RVAL 0.041 TEST Calculated density unusual but tolerable. (Code 23)