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小木虫之莲花佛
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2楼2009-09-17 10:11:16
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4楼2009-09-20 11:01:12
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5楼2009-09-20 19:46:47
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ynu88(金币+10,VIP+0):非常感谢~~ 9-21 08:29
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*data for ICSD #22300 Coll Code 22300 Rec Date 1980/01/01 Mod Date 1984/11/02 Chem Name Boron Structured B Sum B1 ANX N D(calc) 2.32 Title The structure of tetragonal boron. Author(s) Hoard, J.L.;Hughes, R.E.;Sands, D.E. Reference Journal of the American Chemical Society (1958), 80, 4507-4515 Unit Cell 8.75(1) 8.75(1) 5.06(3) 90. 90. 90. Vol 387.41 Z 50 Space Group P 42/n n m S SG Number 134 Cryst Sys tetragonal Pearson tP50 Wyckoff n2 m2 a R Value .135 Red Cell P 5.06 8.75 8.75 90 90 90 387.406 Trans Red 0.000 0.000 1.000 / 1.000 0.000 0.000 / 0.000 1.000 0.000 Comments TETRAGONAL BORON CAN OCCUR AS NEEDLES OR PLATELETS. COORDINATES GIVEN HERE ARE THE MEAN OF THE NEEDLE- COORDINATES AND THE PLATELET COORDINATES. CELL CONSTANTS VARY FROM XTAL TO XTAL. Atom # OX SITE x y z SOF H ITF(B) B 1 +0 16 n 0.3254(1) 0.0879(4) 0.3995(10) 1. 0 0.76 B 2 +0 16 n 0.2268(3) 0.0815(10) 0.0880(15) 1. 0 0.73 B 3 +0 8 m 0.1220(25) 0.1220(25) 0.3825(45) 1. 0 0.79 B 4 +0 8 m 0.2460(35) 0.2460(35) 0.5840(25) 1. 0 0.67 B 5 +0 2 a 0 0 0 1. 0 0.52 *end for ICSD #22300 |
6楼2009-09-21 01:07:22
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*data for ICSD #26487 Coll Code 26487 Rec Date 1980/01/01 Mod Date 2000/12/16 Chem Name Boron Structured B Sum B1 ANX N D(calc) 2.46 Title The crystal structure of a simple rhombohedral form of boron Author(s) Decker, B.F.;Kasper, J.S. Reference Acta Crystallographica (1,1948-23,1967) (1959), 12, 503-506 Unit Cell 5.057(3) 5.057(3) 5.057(3) 58.06(5) 58.06(5) 58.06(5) Vol 87.38 Z 12 Space Group R -3 m R SG Number 166 Cryst Sys trigonal/rhombohedral Pearson hR12 Wyckoff h2 R Value .118 Red Cell RR 4.908 4.908 5.057 60.97 60.97 60 87.378 Trans Red -1.000 0.000 1.000 / 0.000 -1.000 1.000 / 0.000 0.000 1.000 Comments Hexagonal setting: 4.908, 12.567, B1: .1177, -x, -.1073; B2: .1961, -x, .0245 The structure has been assigned a PDF number: 12-377 At least one temperature factor missing in the paper. Atom # OX SITE x y z SOF H B 1 +0 6 h 0.0104 0.0104 -.3427 1. 0 B 2 +0 6 h 0.2206 0.2206 -.3677 1. 0 *end for ICSD #26487 |
7楼2009-09-21 01:08:20
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D(calc) 2.46 Title The crystal structure of a simple rhombohedral form of boron Author(s) Decker, B.F.;Kasper, J.S. Reference Acta Crystallographica (1,1948-23,1967) (1959), 12, 503-506 Unit Cell 5.057(3) 5.057(3) 5.057(3) 58.06(5) 58.06(5) 58.06(5) Vol 87.38 Z 12 Space Group R -3 m R SG Number 166 Cryst Sys trigonal/rhombohedral Pearson hR12 Wyckoff h2 R Value .118 Red Cell RR 4.908 4.908 5.057 60.97 60.97 60 87.378 Trans Red -1.000 0.000 1.000 / 0.000 -1.000 1.000 / 0.000 0.000 1.000 Comments Hexagonal setting: 4.908, 12.567, B1: .1177, -x, -.1073; B2: .1961, -x, .0245 The structure has been assigned a PDF number: 12-377 At least one temperature factor missing in the paper. Atom # OX SITE x y z SOF H B 1 +0 6 h 0.0104 0.0104 -.3427 1. 0 B 2 +0 6 h 0.2206 0.2206 -.3677 1. 0 *end for ICSD #26487 |
8楼2009-09-21 01:08:42
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D(calc) 2.46 Title The crystal structure of a simple rhombohedral form of boron Author(s) Decker, B.F.;Kasper, J.S. Reference Acta Crystallographica (1,1948-23,1967) (1959), 12, 503-506 Unit Cell 5.057(3) 5.057(3) 5.057(3) 58.06(5) 58.06(5) 58.06(5) Vol 87.38 Z 12 Space Group R -3 m R SG Number 166 Cryst Sys trigonal/rhombohedral Pearson hR12 Wyckoff h2 R Value .118 Red Cell RR 4.908 4.908 5.057 60.97 60.97 60 87.378 Trans Red -1.000 0.000 1.000 / 0.000 -1.000 1.000 / 0.000 0.000 1.000 Comments Hexagonal setting: 4.908, 12.567, B1: .1177, -x, -.1073; B2: .1961, -x, .0245 The structure has been assigned a PDF number: 12-377 At least one temperature factor missing in the paper. Atom # OX SITE x y z SOF H B 1 +0 6 h 0.0104 0.0104 -.3427 1. 0 B 2 +0 6 h 0.2206 0.2206 -.3677 1. 0 *end for ICSD #26487 |
9楼2009-09-21 01:09:04
