COL ICSD Collection Code 1880 DATE Recorded Jan 1, 1980; updated Nov 13, 1987 NAME Calcium sodium aluminium oxide * FORM Ca8.5 Na Al6 O18 = Al6 Ca8.5 Na O18 TITL The Al6 O18 rings of tetrahedra in the structure of Ca8.5 Na Al6 O18 REF Acta Crystallographica B (24,1968-38,1982) ACBCA 31 (1975) 1169-1173 AUT Nishi F, TakeuchiÿY CELL a=10.875(3) b=10.859(3) c=15.105(10) à=90.0 á=90.0 ç=90.0 V=1783.8 D=3.03 Z=4 SGR P b c a (61) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oP134 ANX A2B12C17X36 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Ca 1 2.000 8c 0.00268(26) 0.00196(19) 0.51825(11) 0.25 Ca 2 2.000 8c -0.00394(11) 0.01771(7) 0.23927(5) Ca 3 2.000 8c 0.00928(10) 0.26744(8) 0.13313(6) Ca 4 2.000 8c 0.25648(13) 0.27066(8) 0.25278(8) Ca 5 2.000 8c 0.26267(12) 0.24622(13) 0.49832(9) Na 1 1.000 4a 0. 0. 0. Al 1 3.000 8c -0.00482(15)-0.21407(11) 0.11603(8) Al 2 3.000 8c 0.23755(14)-0.00327(14) 0.11292(10) Al 3 3.000 8c 0.24208(14) 0.00543(13)-0.10861(9) O 1 -2.000 8c -0.14416(39)-0.13388(37) 0.10911(29) O 2 -2.000 8c 0.11066(40)-0.10125(41) 0.12634(27) O 3 -2.000 8c 0.28698(34)-0.02208(30) 0.00229(24) O 4 -2.000 8c -0.00730(53)-0.28562(32) 0.21778(22) O 5 -2.000 8c 0.01956(42)-0.29335(32) 0.01724(22) O 6 -2.000 8c 0.35529(36)-0.07220(35) 0.17361(24) O 7 -2.000 8c 0.18863(35) 0.14794(34) 0.13240(27) O 8 -2.000 8c 0.16233(35)-0.12774(31)-0.14188(25) O 9 -2.000 8c 0.37170(33) 0.06610(23)-0.15970(23) WYCK c17 a ÿ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) Ca 1 0.0013 0.0010 0.0022 0.0002 0.0001 0.0000 (1) (1) (1) (1) (1) (1) Ca 2 0.0020 0.0013 0.0006 0.0004 0.0000 -0.0000 (1) (0) (0) (1) (1) (0) Ca 3 0.0016 0.0018 0.0005 0.0002 -0.0001 0.0004 (1) (1) (0) (1) (0) (0) Ca 4 0.0045 0.0013 0.0007 0.0005 -0.0009 0.0001 (1) (1) (1) (1) (0) (1) Ca 5 0.0026 0.0023 0.0009 0.0000 0.0001 -0.0001 (1) (1) (0) (1) (0) (0) Na 1 0.0036 0.0093 0.0029 -0.0039 -0.0017 0.0046 (6) (8) (3) (8) (5) (4) Al 1 0.0011 0.0009 0.0003 -0.0002 -0.0001 -0.0000 (1) (1) (0) (1) (1) (0) Al 2 0.0010 0.0014 0.0008 -0.0003 0.0000 0.0001 (1) (1) (1) (1) (1) (1) Al 3 0.0008 0.0088 0.0003 -0.0002 -0.0000 -0.0004 (1) (12) (1) (1) (1) (1) O 1 0.0026 0.0030 0.0025 0.0014 -0.0008 -0.0003 (3) (3) (2) (3) (2) (2) O 2 0.0035 0.0046 0.0016 -0.0026 0.0008 -0.0012 (4) (4) (2) (3) (2) (2) O 3 0.0021 0.0027 0.0006 -0.0007 0.0003 0.0003 (3) (3) (1) (2) (2) (2) O 4 0.0079 0.0020 0.0006 0.0006 -0.0000 -0.0000 (5) (3) (1) (4) (2) (2) O 5 0.0052 0.0020 0.0006 -0.0004 0.0003 -0.0002 (4) (3) (1) (3) (2) (2) O 6 0.0025 0.0022 0.0012 0.0003 -0.0011 -0.0004 (3) (3) (1) (2) (2) (2) O 7 0.0023 0.0027 0.0016 0.0017 -0.0009 -0.0003 (3) (3) (2) (2) (2) (2) O 8 0.0025 0.0014 0.0014 -0.0004 -0.0000 -0.0007 (3) (3) (2) (2) (2) (2) O 9 0.0023 0.0012 0.0012 -0.0009 0.0001 0.0003 (3) (3) (1) (2) (2) (2) RVAL 0.035 COL ICSD Collection Code 100219 DATE Recorded Dec 31, 1980 NAME CALCIUM SODIUM ALUMINIUM OXIDE (8.7/0.6/6/18) FORM Ca8.688 Na0.625 (Al6 O18) = Al6 Ca8.688 Na.625 O18 TITL Crystal-chemical characterization of the (Ca O)3 * (Al2 O3) - (Na2 O) solid-solution series REF Zeitschrift fuer Kristallographie (149,1979-) ZEKRD 152 (1980) 259-307 AUT Takeuchi Y, NishiÿF, MakiÿI CELL a=15.248(2) b=15.248(2) c=15.248(2) à=90.0 á=90.0 ç=90.0 V=3545.2 Z=8 SGR P 21 3 (198) - cubic CLAS 23 (Hermann-Mauguin) - T (Schoenflies) PRS cP266 ANX AB24C36X72 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Ca 1 2.000 4a .0000(2) .0000(2) .0000(2) Ca 2 2.000 4a 0.5018(2) 0.5018(2) 0.5018(2) Ca 3 2.000 4a 0.2630(1) 0.2630(1) 0.2630(1) 0.91(2) Na 1 1.000 4a 0.2630(1) 0.2630(1) 0.2630(1) 0.09(2) Ca 4 2.000 4a -0.2562(1) -0.2562(1) -0.2562(1) 0.73(2) Na 2 1.000 4a -0.2562(1) -0.2562(1) -0.2562(1) 0.27(2) Ca 5 2.000 4a 0.3814(2) 0.3814(2) 0.3814(2) 0.97(2) Na 3 1.000 4a 0.3814(2) 0.3814(2) 0.3814(2) 0.03(2) Ca 6 2.000 4a -0.3763(2) -0.3763(2) -0.3763(2) 0.76(2) Na 4 1.000 4a -0.3763(2) -0.3763(2) -0.3763(2) 0.24(2) Ca 7 2.000 12b 0.3720(6) 0.1400(5) 0.1361(6) 0.5 Ca 8 2.000 12b 0.3678(3) 0.1262(4) 0.1345(3) 0.5 Ca 9 2.000 12b 0.6232(4) 0.1376(3) 0.1180(3) 0.5 Ca 10 2.000 12b 0.6431(4) 0.1363(3) 0.1287(3) 0.5 Ca 11 2.000 12b 0.3821(2) 0.3863(2) 0.1213(2) Ca 12 2.000 12b -0.3800(1) -0.3881(2) -0.1201(2) Na 5 1.000 4a 0.121(1) 0.121(1) 0.121(1) 0.31 Na 6 1.000 4a 0.875(2) 0.875(2) 0.875(2) 0.31 Al 1 3.000 12b 0.2539(2) 0.0134(2) 0.0167(2) Al 2 3.000 12b -0.2534(2) -0.0129(2) -0.0232(2) Al 3 3.000 12b 0.2434(3) 0.2371(2) 0.0053(3) Al 4 3.000 12b -0.2445(2) -0.2377(2) -0.0063(3) O 1 -2.000 12b 0.2630(5) 0.1264(5) 0.0029(6) O 2 -2.000 12b -0.2658(7) -0.1258(6) -0.0230(7) O 3 -2.000 12b 0.4759(4) 0.1327(4) 0.2475(4) O 4 -2.000 12b -0.4952(5) -0.1310(5) -0.2368(5) O 5 -2.000 12b 0.2729(5) 0.2765(5) 0.1082(5) O 6 -2.000 12b -0.2629(6) -0.2906(5) -0.1058(5) O 7 -2.000 12b 0.2406(5) 0.4114(5) 0.3040(5) O 8 -2.000 12b -0.2281(5) -0.4062(4) -0.2878(5) O 9 -2.000 12b 0.3502(5) -0.0321(5) -0.0274(6) O 10 -2.000 12b -0.3505(6) 0.0233(6) 0.0234(6) O 11 -2.000 12b 0.1497(5) -0.0173(6) -0.0171(6) O 12 -2.000 12b -0.1515(5) 0.0150(5) 0.0163(5) WYCK b22 a8 ITF Ca 1 B=0.98 ITF Ca 2 B=0.59 ITF Ca 3 B=0.74(2) ITF Na 1 B=0.74(2) ITF Ca 4 B=0.69(2) ITF Na 2 B=0.69(2) ITF Ca 5 B=1.13(2) ITF Na 3 B=1.13(2) ITF Ca 6 B=0.89(2) ITF Na 4 B=0.89(2) ITF Ca 7 B=2.17(2) ITF Ca 8 B=0.77(2) ITF Ca 9 B=0.78(2) ITF Ca 10 B=0.99(2) ITF Ca 11 B=0.76(2) ITF Ca 12 B=0.62(2) ITF Na 5 B=1.89(2) ITF Na 6 B=7.56(2) ITF Al 1 B=0.46(2) ITF Al 2 B=0.46(2) ITF Al 3 B=0.54(2) ITF Al 4 B=0.43(2) ITF O 1 B=1.86(2) ITF O 2 B=2.91(2) ITF O 3 B=0.89(2) ITF O 4 B=1.54(2) ITF O 5 B=1.38(2) ITF O 6 B=1.48(2) ITF O 7 B=1.26(2) ITF O 8 B=1.23(2) ITF O 9 B=1.09(2) ITF O 10 B=1.57(2) ITF O 11 B=1.02(2) ITF O 12 B=0.59(2) RVAL 0.046 COL ICSD Collection Code 100221 DATE Recorded Dec 31, 1980 NAME CALCIUM SODIUM ALUMINIUM OXIDE (8.3/1.5/6/18) FORM Ca8.25 Na1.5 (Al6 O18) = Al6 Ca8.25 Na1.5 O18 TITL Crystal chemical characterisation of the (Ca O)3 * (Al2 O3) - (Na2 O) solid-solution series REF Zeitschrift fuer Kristallographie (149,1979-) ZEKRD 152 (1980) 259-307 AUT Takeuchi Y, NishiÿF, MakiÿI CELL a=10.877(6) b=10.854(13) c=15.135(13) à=90.0 á=90.0 ç=90.1(1) V=1786.8 Z=4 SGR P 1 1 21/a (14) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mP135 ANX A7B24C32X72 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Ca 1 2.000 4e 0.0009(2) 0.0021(2) 0.5196(1) 0.5 Ca 2 2.000 4e 0.00079(8) 0.01849(8) 0.23822(7) Ca 3 2.000 4e 0.01190(8) 0.26769(8) 0.13253(7) Ca 4 2.000 4e 0.26248(9) 0.27015(9) 0.25230(6) Ca 5 2.000 4e 0.2610(1) 0.2460(1) 0.49889(8) 0.803(4) Na 1 1.000 4e 0.2610(1) 0.2460(1) 0.49889(8) 0.197(4) Ca 6 2.000 4e 0.5024(2) 0.4979(3) 0.4838(1) 0.5 Ca 7 2.000 4e 0.49159(8) 0.48333(8) -0.24018(7) Ca 8 2.000 4e 0.50547(8) 0.23286(8) -0.13408(7) Ca 9 2.000 4e 0.74938(10) 0.22972(9) -0.25329(6) Ca 10 2.000 4e 0.76290(13) 0.2524(1) -0.4986(1) 0.447(4) Na 2 1.000 4e 0.76290(13) 0.2524(1) -0.4986(1) 0.553(4) Na 3 1.000 4e 0.001(1) -0.015(1) -0.0099(6) 0.375 Na 4 1.000 4e 0.5023(9) 0.5184(8) 0.0110(5) 0.375 Al 1 3.000 4e -0.0027(1) -0.2155(1) 0.11637(9) Al 2 3.000 4e 0.2403(1) -0.0041(1) 0.11432(9) Al 3 3.000 4e 0.2395(1) 0.0058(1) -0.10741(9) Al 4 3.000 4e 0.4944(1) 0.7137(1) -0.11610(9) Al 5 3.000 4e 0.7351(1) 0.5030(1) -0.11134(9) Al 6 3.000 4e 0.7442(1) 0.4950(1) 0.10988(9) O 1 -2.000 4e -0.1380(4) -0.1309(4) 0.1070(3) O 2 -2.000 4e 0.1172(3) -0.1079(4) 0.1287(3) O 3 -2.000 4e 0.2864(3) -0.0223(3) 0.0026(2) O 4 -2.000 4e -0.0150(4) -0.2877(4) 0.2174(2) O 5 -2.000 4e 0.0235(3) -0.2941(3) 0.0174(2) O 6 -2.000 4e 0.3611(3) -0.0703(3) 0.1727(3) O 7 -2.000 4e 0.1849(3) 0.1433(3) 0.1367(3) O 8 -2.000 4e 0.1617(3) -0.1295(3) -0.1379(2) O 9 -2.000 4e 0.3680(3) 0.0677(3) -0.1604(2) O 10 -2.000 4e 0.3522(3) 0.6365(3) -0.1118(3) O 11 -2.000 4e 0.6053(3) 0.5968(4) -0.1242(3) O 12 -2.000 4e 0.7853(3) 0.5221(3) -0.0013(2) O 13 -2.000 4e 0.4990(4) 0.7844(3) -0.2184(2) O 14 -2.000 4e 0.5142(4) 0.7929(3) -0.0173(2) O 15 -2.000 4e 0.8508(3) 0.5733(3) -0.1727(2) O 16 -2.000 4e 0.6888(3) 0.3503(3) -0.1297(2) O 17 -2.000 4e 0.6638(3) 0.6255(3) 0.1450(2) O 18 -2.000 4e 0.8760(3) 0.4337(3) 0.1591(2) WYCK e36 ITF Ca 1 B=1.17(1) ITF Ca 2 B=0.78(1) ITF Ca 3 B=0.76(1) ITF Ca 4 B=1.07(1) ITF Ca 5 B=0.84(4) ITF Na 1 B=0.84(4) ITF Ca 6 B=0.95(4) ITF Ca 7 B=0.76(4) ITF Ca 8 B=0.79(4) ITF Ca 9 B=1.07(4) ITF Ca 10 B=1.23(4) ITF Na 2 B=1.23(4) ITF Na 3 B=2.56(4) ITF Na 4 B=2.72(4) ITF Al 1 B=0.50(4) ITF Al 2 B=0.60(4) ITF Al 3 B=0.56(4) ITF Al 4 B=0.53(4) ITF Al 5 B=0.53(4) ITF Al 6 B=0.55(4) ITF O 1 B=1.88(4) ITF O 2 B=1.81(4) ITF O 3 B=1.12(4) ITF O 4 B=1.55(4) ITF O 5 B=1.08(4) ITF O 6 B=1.29(4) ITF O 7 B=1.54(4) ITF O 8 B=1.25(4) ITF O 9 B=1.15(4) ITF O 10 B=1.42(4) ITF O 11 B=1.73(4) ITF O 12 B=1.26(4) ITF O 13 B=1.75(4) ITF O 14 B=1.59(4) ITF O 15 B=1.14(4) ITF O 16 B=1.26(4) ITF O 17 B=1.06(4) ITF O 18 B=1.14(4) RVAL 0.037