COL ICSD Collection Code 15383 DATE Recorded Jan 1, 1980; updated Nov 3, 1987 NAME Lanthanum borate - high-temperature phase FORM La B O3 = B La O3 TITL Die Kristallstruktur von Hoch-La B O3 REF Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) ZEKGA 133 (1971) 386-395 AUT Boehlhoff R, Bambauer˙H˙U, Hoffmann˙W CELL a=6.348(1) b=5.084(1) c=4.186(1) à=90.0 á=107.9(0) ç=90.0 V=128.6 D=5.06 Z=2 SGR P 1 21/m 1 (11) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mP10 ANX ABX3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- La 1 3.000 2e 0.776 1/4 0.62 B 1 3.000 2e 0.257 1/4 0.002 O 1 -2.000 2e 0.38 1/4 0.319 O 2 -2.000 4f 0.174 0.02 0.839 WYCK f e3 ITF La 1 B=0.25 ITF B 1 B=-0.18 ITF O 1 B=0.27 ITF O 2 B=0.67 RVAL 0.145 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 20355 DATE Recorded Dec 31, 1981 NAME Lanthanum cyclo-triborate FORM La (B O2)3 = B3 La O6 TITL The refined crystal structure of lanthanum metaborate La (B O2)3 REF Kristallografiya KRISA 26 (1981) 837-840 REF Naturwissenschaften NATWA 57 (1970) 129 AUT Abdullaev G K, Mamedov˙K˙S, Dzhafarov˙G˙G CELL a=6.509(8) b=8.172(5) c=7.983(4) à=90.0 á=93.4(1) ç=90.0 V=423.9 D=4.18 Z=4 SGR I 1 2/c 1 (15) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mI40 ANX AB3X6 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- La 1 3.000 4e 0. 0.05085(19) 1/4 O 1 -2.000 8f 0.1445(3) 0.3648(2) 0.3568(2) O 2 -2.000 8f 0.1411(3) 0.4373(2) 0.6418(2) O 3 -2.000 8f 0.0455(4) 0.1667(2) 0.5482(2) B 1 3.000 4e 0. 0.4695(4) 1/4 B 2 3.000 8f 0.1088(4) 0.3196(3) 0.5214(3) WYCK f4 e2 ˙ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) La 1 0.4400 -0.5200 0.3200 0.0000 -0.0400 0.0000 (600) (500) (600) (400) O 1 0.9600 -0.0200 0.2500 0.1700 -0.3200 0.2500 (600) (500) (500) (500) (400) (400) O 2 1.3300 -0.3200 1.0300 -0.0300 0.2000 0.2500 (700) (500) (600) (500) (500) (400) O 3 2.6300 -0.3500 0.3100 -0.3800 0.0100 0.2000 (900) (500) (500) (500) (500) (400) B 1 0.2800 -0.6700 2.3200 0.0000 0.5800 0.0000 (1100) (800) (1600) (1100) B 2 1.0100 -0.5200 0.7000 0.1600 -0.2600 0.1500 (900) (600) (800) (600) (700) (500) REM REF (refinement of earlier measured intensity data) RVAL 0.066 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 23608 DATE Recorded Jan 1, 1980 NAME Lanthanum borate FORM La B O3 = B La O3 TITL Hochtemperatur-Lanthanborat REF Naturwissenschaften NATWA 57 (1970) 129 AUT Boehlhoff R, Bambauer˙H˙U, Hoffmann˙W CELL a=6.348 b=5.084 c=4.186 à=90.0 á=107.9 ç=90.0 V=128.6 D=5.06 Z=2 SGR P 1 21/m 1 (11) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mP10 ANX ABX3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- La 1 3.000 2e 0.776 1/4 0.62 B 1 3.000 2e 0.257 1/4 0.002 O 1 -2.000 2e 0.38 1/4 0.319 O 2 -2.000 4f 0.174 0.02 0.839 WYCK f e3 RVAL 0.118 TEST At least one temperature factor missing in the paper. (Code 53) COL ICSD Collection Code 23609 DATE Recorded Jan 1, 1980; updated Nov 3, 1987 NAME Lanthanum catena-borate FORM La B3 O6 = B3 La O6 TITL Die Kristallstruktur des La B3 O6 REF Naturwissenschaften NATWA 57 (1970) 129-130 REF Naturwissenschaften NATWA 1968 (1968) 81 AUT Ysker J S, Hoffmann˙W CELL a=7.956 b=8.161 c=6.499 à=90.0 á=93.6 ç=90.0 V=421.1 Z=4 SGR I 1 2/a 1 (15) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mI40 ANX AB3X6 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- La 1 3.000 4e 1/4 0.051 0. B 1 3.000 4e 1/4 0.019 1/2 B 2 3.000 8f 0.522 0.184 0.609 O 1 -2.000 8f 0.145 0.135 0.369 O 2 -2.000 8f 0.547 0.166 0.044 O 3 -2.000 8f 0.647 0.064 0.64 WYCK f4 e2 ITF La 1 B=0.3 ITF B 1 B=0.3 ITF B 2 B=0.3 ITF O 1 B=0.3 ITF O 2 B=0.3 ITF O 3 B=0.3 RVAL 0.051 COL ICSD Collection Code 35535 DATE Recorded Jan 1, 1980; updated Dec 11, 1984 NAME Lanthanum borate - alpha FORM La B O3 = B La O3 TITL Crystal structure of Lanthanum orthoborate REF Azerbaidzhanskii Khimicheskii Zhurnal AZKZA 1976 (1976) 117-120 AUT Abdullaev G K CELL a=5.130 b=8.300 c=5.880 à=90.0 á=90.0 ç=90.0 V=250.4 Z=4 SGR P m c n (62) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oP20 ANX ABX3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- La 1 3.000 4c 1/4 0.5844(2) 0.2604(6) O 1 -2.000 4c 1/4 0.083(4) 0.431(3) O 2 -2.000 8d 0.513(9) 0.314(3) 0.416(1) B 1 3.000 4c 1/4 0.253(6) 0.413(5) WYCK d c3 ITF La 1 B=0.15 ITF O 1 B=4.81 ITF O 2 B=3.26 ITF B 1 B=3.92 RVAL 0.110 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 82308 DATE Recorded Nov 10, 1997 NAME Lanthanum borate oxide (26/8/27) FORM La26 (B O3)8 O27 = B8 La26 O51 TITL The structure of La26 (B O3)8 O27 : a structure with a distorted fluorite type arrangement of atoms REF Journal of Solid State Chemistry JSSCB 126 (1996) 287-291 AUT Lin J H, Su˙M˙Z, Wurst˙K, Schweda˙E CELL a=6.920(1) b=12.923(1) c=14.571(1) à=90.0 á=99.4(0) ç=90.0 V=1285.5 Z=1 SGR P 1 21/c 1 (14) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mP85 ANX A8B26X51 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- La 1 3.000 2a 0. 0. 0. La 2 3.000 4e 0.5149(1) 0.1099(1) 0.0873(1) La 3 3.000 4e 0.1518(1) 0.1942(1) 0.4691(1) La 4 3.000 4e 0.6841(1) 0.3854(1) 0.0603(1) La 5 3.000 4e 0.6251(1) 0.3004(1) 0.3402(1) La 6 3.000 4e 0.2308(1) 0.5023(1) 0.1718(1) La 7 3.000 4e 0.0602(1) 0.2129(1) 0.2022(1) O 1 -2.000 4e 0.0088(14) 0.8507(7) 0.1306(6) O 2 -2.000 4e 0.1586(14) 0.5093(7) 0.3473(6) O 3 -2.000 4e 0.2673(15) 0.3497(7) 0.2930(6) O 4 -2.000 4e 0.4266(14) 0.1320(7) 0.2586(6) O 5 -2.000 4e 0.5940(17) 0.4545(8) 0.2119(7) O 6 -2.000 4e 0.1623(15) 0.0676(8) 0.3268(6) O 7 -2.000 4e 0.1641(13) 0.1539(7) 0.0693(6) O 8 -2.000 4e 0.3424(14) 0.5545(7) 0.5477(6) O 9 -2.000 4e 0.7306(15) 0.2367(7) 0.1816(7) O 10 -2.000 4e 0.0366(14) 0.3630(8) 0.1061(6) O 11 -2.000 4e 0.4843(15) 0.2483(7) 0.4813(6) O 12 -2.000 4e 0.1871(14) 0.6544(7) 0.0893(6) O 13 -2.000 4e 0.3452(17) 0.4553(9) 0.0341(7) 0.75 B 1 3.000 4e 0.1349(22) 0.4007(11) 0.3367(9) B 2 3.000 4e 0.3296(23) 0.0513(12) 0.2903(10) WYCK e21 a ITF O 1 U=0.014(2) ITF O 2 U=0.013(2) ITF O 3 U=0.017(2) ITF O 4 U=0.013(2) ITF O 5 U=0.025(2) ITF O 6 U=0.019(2) ITF O 7 U=0.011(2) ITF O 8 U=0.012(2) ITF O 9 U=0.017(2) ITF O 10 U=0.016(2) ITF O 11 U=0.017(2) ITF O 12 U=0.013(2) ITF O 13 U=0.008(2) ITF B 1 U=0.009(3) ITF B 2 U=0.013(3) ˙ TF Atom U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) La 1 0.0050 0.0070 0.0140 -0.0010 0.0020 -0.0010 (10) (10) (10) (10) (10) (10) La 2 0.0040 0.0080 0.0130 0.0010 0.0000 0.0000 (10) (10) (10) (10) (10) (10) La 3 0.0050 0.0110 0.0140 0.0020 0.0020 0.0040 (10) (10) (10) (10) (10) (10) La 4 0.0100 0.0120 0.0180 -0.0020 0.0020 -0.0040 (10) (10) (10) (10) (10) (10) La 5 0.0030 0.0090 0.0160 -0.0010 0.0010 -0.0010 (10) (10) (10) (10) (10) (10) La 6 0.0110 0.0140 0.0190 -0.0040 -0.0030 0.0070 (10) (10) (10) (10) (10) (10) La 7 0.0070 0.0130 0.0130 0.0020 0.0010 0.0000 (10) (10) (10) (10) (10) (10) RVAL 0.042