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gcz952849979金虫 (小有名气)
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[求助]
求由Al，Mg，B三种元素组成的合金的晶体结构
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求由Al，Mg，B三种元素组成的合金的晶体结构，至少含有其中两种元素 |
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gcz952849979
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6楼2013-11-06 10:59:38
xhtangxh
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【答案】应助回帖
感谢参与，应助指数 +1
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三元合金： 1. Card Information Names: Aluminum Boron Magnesium Formula: Mg0.5 Al B14 PDF Number: 39-437 Quality: calculated Subfiles: inorganic alloy NBS Cell and Symmetry Information System: orthorhombic Space Group: Imam (no. 74) a: 5.8480 b: 8.1150 c: 10.3130 Z: 4 Instrument Information Radiation: CuKa1 Wavelength: 1.5405981 Instrument(d): calculated Instrument(I): calculated I type: peak heights I/Icor: 0.23 Comments and Additional Information General: Pattern calculated by using atomic parameters from the Inorganic Structure Data File, Federal Republic of Germany. Literature References General: Wong-Ng, W., McMurdie, H., Paretzkin, B.,Hubbard, C., Dragoo, A., NBS (USA). ICDD Grant-in-Aid (1988) Unit Cell: Matkovic, V., Economy, J. Acta Crystallogr., Sec. B 26 616 (1970) 2. Card Information Names: Aluminum Boron Magnesium Formula: Mg0.78 Al0.75 B14 PDF Number: 39-459 Quality: calculated Subfiles: inorganic alloy NBS Cell and Symmetry Information System: orthorhombic Space Group: Imam (no. 74) a: 5.8480 b: 8.1120 c: 10.3120 Z: 4 Instrument Information Radiation: CuKa1 Wavelength: 1.5405981 Instrument(d): calculated Instrument(I): calculated I type: peak heights I/Icor: 0.23 Comments and Additional Information General: Pattern calculated by using atomic parameters from the Inorganic Structure Data File, Federal Republic of Germany. Literature References General: Wong-Ng, W., McMurdie, H., Paretzkin, B.,Hubbard, C., Dragoo, A., NBS (USA). ICDD Grant-in-Aid (1987) Unit Cell: Higashi, I., Ito, T. Acta Crystallogr., Sec. B 39 239 (1970) 3. Card Information Names: Magnesium Aluminum Boron Magnesium aluminium boride Formula: Mg0.78 Al0.75 B14 PDF Number: 75-1262 Quality: calculated Subfiles: inorganic alloy COR FIZ Cell and Symmetry Information System: orthorhombic Space Group: Imcm (no. 0) a: 5.84800 b: 8.11200 c: 10.31200 Density (Dm): 2.600 Density (Dx): 2.586 Z: 4 Instrument Information Radiation: CuKa1 Wavelength: 1.54060 Instrument(d): calculated Cut Off: 17.7 Instrument(I): calculated I type: peak heights I/Icor: 0.22 Comments and Additional Information ICSD Number: 030728 Temperature factor: ATF TI Refinement of the structure of Mg Al B14 WY j2 i h3 c (IMAM) AF N3O3P56 Literature References General: Calculated from ICSD using POWD-12++ (1997) Structure: Higashi, I., Ito, T. J. Less-Common Met. 92 239 (1983) 4. Card Information Names: Aluminum Magnesium Boron Aluminum magnesium boride Formula: Al0.5 Mg0.5 B2 PDF Number: 89-3178 Quality: calculated Subfiles: inorganic alloy FIZ Cell and Symmetry Information System: hexagonal Space Group: P6/mmm (no. 191) a: 3.047 c: 3.366 Density (Dx): 2.900 Z: 1 Instrument Information Radiation: CuKa1 Wavelength: 1.54060 Instrument(d): calculated Cut Off: 17.7 Instrument(I): calculated I type: peak heights I/Icor: 2.27 Comments and Additional Information ICSD Number: 043838 TT No R value given. TT At least one TF missing. TI Double borides of aluminum and magnesium WY d a (P6/MMM) AF NO2 Literature References General: Calculated from ICSD using POWD-12++ ( ) Structure: Vekshina, N.V., Markovskii, L.Y., Kondrashev,Y.D., Voevodskaya, T.K. Zh. Prikl. Khim. (Leningrad) 44 970 (1971) |
2楼2013-11-05 15:04:02
xhtangxh
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【答案】应助回帖
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B-Mg二元合金： 1. Card Information Names: Boron Magnesium Formula: Mg B12 PDF Number: 8-263 Quality: questionable Subfiles: inorganic alloy Cell and Symmetry Information System: unknown Instrument Information Radiation: FeKa Wavelength: 1.9373 Instrument(d): Debye-Scherrer Instrument(I): visual estimate I type: unknown Comments and Additional Information General: Phase C occurs over 1200 C. Analysis: Theoretical composition (wt.%): Mg 15.5, B 84.5. Quality: O assigned becasue unindexed and composition uncertain. General: Phase C. Literature References General: Markovskij, Kondrasev, Kapumovskaja. Zh. Obshch. Khim. 23 433 (1955) 2. 2.1 Card Information Names: Magnesium Boron Magnesium boride Formula: Mg1.93 B14 PDF Number: 89-1534 Quality: calculated Subfiles: inorganic alloy FIZ Cell and Symmetry Information System: orthorhombic Space Group: Imcm (no. 0) a: 5.970 b: 8.125 c: 10.480 Density (Dm): 2.590 Density (Dx): 2.590 Z: 4 Instrument Information Radiation: CuKa1 Wavelength: 1.54060 Instrument(d): calculated Cut Off: 17.7 Instrument(I): calculated I type: peak heights I/Icor: 0.27 Comments and Additional Information ICSD Number: 086397 RM X-ray diffraction (powder) Temperature factor: ITF TI Crystal structure of magnesium heptaboride Mg2 B14 WY j2 h3 e c (IMAM) Analysis: Mg2.01 B14 AF NO7 Literature References General: Calculated from ICSD using POWD-12++ ( ) Structure: Guette, A., Barret, M., Naslain, R.,Hagenmuller, P., Tergenius, L.E., Lundstrom,T. J. Less-Common Met. 82 325 (1981) 2.2 Card Information Names: Magnesium Boron Magnesium boride Formula: Mg0.97 B7 PDF Number: 89-3776 Quality: calculated Subfiles: inorganic alloy FIZ Cell and Symmetry Information System: orthorhombic Space Group: Imma (no. 74) a: 5.970 b: 10.480 c: 8.125 Density (Dm): 2.590 Density (Dx): 2.590 Z: 8 Instrument Information Radiation: CuKa1 Wavelength: 1.54060 Instrument(d): calculated Cut Off: 17.7 Instrument(I): calculated I type: peak heights I/Icor: 0.33 Comments and Additional Information ICSD Number: 044441 TT At least one TF missing. TI Crystal structure of magnesium heptaboride WY j2 h3 e d (IMMA) AF NO7 Literature References General: Calculated from ICSD using POWD-12++ ( ) Structure: Guette, A., Barret, M., Naslain, R.,Hagenmuller, P., Tergenius, R.-E.,Lundstroem, T. J. Less-Common Met. 82 325 (1981) 2.3 Card Information Names: Boron Magnesium Formula: B7 Mg PDF Number: 65-4960 Quality: calculated Subfiles: inorganic alloy NST Cell and Symmetry Information System: orthorhombic Space Group: Imam (no. 74) a: 5.970 b: 8.125 c: 10.480 Density (Dm): 2.590 Density (Dx): 2.590 Z: 8 Instrument Information Radiation: CuKa1 Wavelength: 1.54060 Instrument(d): calculated Instrument(I): calculated I type: peak heights I/Icor: 0.27 Comments and Additional Information MC N AL7821 1526 RM Rietveld refinement Temperature factor: IB=B,Mg EN Mg2 Literature References General: Calculated from NIST using POWD-12++ ( ) Structure: A.Guette,M.Barret,R.Naslain,P.Hagenmuller,L.-.Tergenius & T.Lunstrom J. Less-Common Met. 82 325 (1981) 3. Card Information Names: Boron Magnesium Formula: Mg B6 PDF Number: 15-298 Quality: questionable Subfiles: inorganic alloy Cell and Symmetry Information System: unknown Instrument Information Radiation: CuKa Wavelength: 1.5418 Filter: Ni Instrument(d): unknown Instrument(I): visual estimate I type: unknown Comments and Additional Information General: Phase occurs between 900 and 1250 C. General: Theoretical composition (wt.%): Mg 27.2, B 72.8. Quality: O assigned because unindexed. Literature References General: Durhart. Ann. Chim. (Rome) 7 339 (1962) 4. 4.1 Card Information Names: Boron Magnesium Formula: B4 Mg PDF Number: 15-299 Quality: unknown Subfiles: inorganic alloy Cell and Symmetry Information System: orthorhombic Space Group: Pnam (no. 62) a: 5.464 b: 7.472 c: 4.428 Density (Dm): 2.490 Density (Dx): 2.482 Z: 4 Instrument Information Radiation: CuKa Wavelength: 1.5418 Filter: Ni Instrument(d): unknown Instrument(I): visual estimate I type: unknown Comments and Additional Information Colour: Black General: Naslain states Debye-Scherrer pattern agrees with data of Durhart. Literature References General: Durhart. Ann. Chim. (Rome) 7 339 (1962) Unit Cell: Naslain et al. J. Solid State Chem. 8 68 (1973) 4.2 Card Information Names: Magnesium Boron Magnesium boride Formula: Mg B4 PDF Number: 73-1014 Quality: calculated Subfiles: inorganic alloy COR FIZ Cell and Symmetry Information System: orthorhombic Space Group: Pnam (no. 62) a: 5.46400 b: 7.47200 c: 4.42800 Density (Dm): 2.495 Density (Dx): 2.482 Z: 4 Instrument Information Radiation: CuKa1 Wavelength: 1.54060 Instrument(d): calculated Cut Off: 17.7 Instrument(I): calculated I type: peak heights I/Icor: 0.78 Comments and Additional Information ICSD Number: 023460 Temperature factor: ATF TI Structure cristalline de tetraborure de magnesium WY d c3 (PNAM) AF NO4 Literature References General: Calculated from ICSD using POWD-12++ (1997) Structure: Guette, A., Naslain, R., Galy, J. C. R. Seances Acad. Sci., Ser. C 275 41 (1972) 5. 5.1 Card Information Names: Boron Magnesium Formula: Mg B2 PDF Number: 38-1369 Quality: star Subfiles: inorganic alloy CP NBS Cell and Symmetry Information System: hexagonal Space Group: P6/mmm (no. 191) a: 3.0864 c: 3.5215 Z: 1 Instrument Information Radiation: CuKa1 Wavelength: 1.5405981 Filter: Graph Instrument(d): diffractometer Cut Off: 17.7 Standard: W Instrument(I): diffractometer I type: peak heights Comments and Additional Information Source: The sample was obtained from Alfa Products/Thiokol Ventron Division, Danvers, Massachusetts, USA. It contained a very small amount of magnesium d=2.440 (I<3) and unidentified reflections at d=3.15, 1.22, 0.943, 0.861 and 0.835 with I<2. Colour: Dark grayish brown Structure: The structure was determined by Jones and Marsh (1). Temperature: Mean temperature of data collection was 23.8 C. Pattern: To replace 00-006-0640. Analysis: SEM with Energy Dispersive Spectrometer (EDS) indicated no impurity. Literature References General: Wong-Ng, W., McMurdie, H., Paretzkin, B.,Hubbard, C., Dragoo, A., NBS (USA). ICDD Grant-in-Aid (1987) Unit Cell: Wong-Ng, W., McMurdie, H., Paretzkin, B.,Hubbard, C., Dragoo, A. Powder Diffraction 3 54 (1988) Structure: 1. Jones, M., Marsh, R. J. Am. Chem. Soc. 76 1434 (1954) 5.2 Card Information Names: Boron Magnesium Formula: B2 Mg PDF Number: 65-3383 Quality: calculated Subfiles: inorganic alloy NST Cell and Symmetry Information System: hexagonal Space Group: P6/mmm (no. 191) a: 3.0840 c: 3.5220 Density (Dm): 2.667 Density (Dx): 2.629 Z: 1 Instrument Information Radiation: CuKa1 Wavelength: 1.54060 Instrument(d): calculated Instrument(I): calculated I type: peak heights I/Icor: 2.42 Comments and Additional Information MC N AL4907 1525 Temperature factor: IB=Mg,B Pattern: See PDF 01-074-0982. Literature References General: Calculated from NIST using POWD-12++ ( ) Structure: L.Markovskii Dokl. Akad. Nauk SSSR 100 1095 (1955) 5.3 Card Information Names: Magnesium Boron Magnesium boride Formula: Mg B2 PDF Number: 74-982 Quality: calculated Subfiles: inorganic alloy COR FIZ Cell and Symmetry Information System: hexagonal Space Group: P622 (no. 177) a: 3.0834 c: 3.5213 Density (Dm): 2.620 Density (Dx): 2.630 Z: 1 Instrument Information Radiation: CuKa1 Wavelength: 1.54060 Instrument(d): calculated Cut Off: 17.7 Instrument(I): calculated I type: peak heights I/Icor: 2.29 Comments and Additional Information ICSD Number: 026675 TT At least one TF missing. TI The Preparation and Structure of Magnesium Boride, Mg B2 Pattern: See PDF 03-065-3383 and 00-038-1369. OC Cell from Acta Crystallogr., 6 870 (1953): 3.084, 3.522, Dm=2.667. WY d a (P6/MMM) AF NO2 Literature References General: Calculated from ICSD using POWD-12++ (1997) Structure: Jones, M.E., Marsh, R.E. J. Am. Chem. Soc. 76 1434 (1954) |
3楼2013-11-05 15:23:34
xhtangxh
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【答案】应助回帖
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B-Al二元合金： 1. Card Information Names: beta-Aluminum Boron Formula: Al B12 PDF Number: 12-639 Quality: indexed Subfiles: inorganic alloy CP Cell and Symmetry Information System: orthorhombic Space Group: Imma (no. 74) a: 12.34 b: 12.63 c: 10.16 Density (Dm): 2.600 Density (Dx): 2.600 Z: 15 Instrument Information Radiation: CuKa1 Wavelength: 1.5405 Filter: Ni Instrument(d): unknown Instrument(I): diffractometer I type: unknown Comments and Additional Information General: Space group determined from single-crystal data. Melting Point: 2200 C in helium Lines: Plus 26 additional reflections to 1.2132. General: Matkovich et al., call the phase Al3 B48 C2 [ J. Am. Chem. Soc., 86 2337 (1964)]. General: Becher and Neidhard say <0.2 Si causes the formation of this beta-type structure [ Acta Crystallogr., Sec. B , 24 280 (1968)]. Literature References General: Kohn, Eckart. Anal. Chem. 32 296 (1960) 2. Card Information Names: alpha-Aluminum Boron Formula: Al B12 PDF Number: 12-640 Quality: indexed Subfiles: inorganic alloy CP Cell and Symmetry Information System: tetragonal Space Group: P43212 (no. 96) a: 10.16 c: 14.28 Density (Dm): 2.557 Density (Dx): 2.540 Z: 14.4 Instrument Information Radiation: CuKa1 Wavelength: 1.5405 Filter: Ni Instrument(d): unknown Instrument(I): diffractometer I type: unknown Comments and Additional Information General: Space group determined from single-crystal data. Melting Point: 2150 C in helium Unit Cell: Yannoni, Diss. Abstr., 22 1032 (1961) reports: a=10.17, c=14.28, D=2.55, Z=15.6-16.0 for Al B11. Unit Cell: Serebryanskii, Epel'baum, J. Struct. Chem. (USSR), 2 692 (1961) reports: a=10.15, c=14.29, D=2.62 for alpha-Al B12. Lines: Plus 12 reflections to 1.1209. Pattern: To replace 00-016-0278. General: PSC: tP216 for filled cell. Literature References General: Kohn, Eckart. Anal. Chem. 32 296 (1960) 3. Card Information Names: gamma-Aluminum Boride Formula: Al B12 PDF Number: 65-5975 Quality: calculated Subfiles: inorganic alloy NST Cell and Symmetry Information System: orthorhombic Space Group: P212121 (no. 19) a: 16.623 b: 17.540 c: 10.180 Density (Dx): 2.549 Z: 29 Instrument Information Radiation: CuKa1 Wavelength: 1.54060 Instrument(d): calculated Instrument(I): calculated I type: peak heights I/Icor: 0.05 Comments and Additional Information MC A 50412 ST787 0 Temperature factor: TF was not given, B set to 1.000 for calc. Preparation: see J.A. Kohn and D.W. Eckart, Z.Kristal.,116(1961)134 Structure: Kagome nets and the interleaving triangular net frame with truncated tetrahedral holes RM Real composition is Al27.88B352. TI Icosahedral boron framework. The structure of gamma-AlB12 Literature References General: Calculated from NIST using POWD-12++ ( ) Structure: Hughes, R.E, Leonowicz, M.E., Lemley, J.T.,Tai, L.-T. J. Am. Chem. Soc. 99 5507 (1977) 4. Card Information Names: Aluminum Boron Formula: Al13.35 B176 PDF Number: 65-4736 Quality: calculated Subfiles: inorganic alloy NST Cell and Symmetry Information System: tetragonal Space Group: P43212 (no. 96) a: 10.161 c: 14.283 Density (Dm): 2.650 Density (Dx): 2.548 Z: 1 Instrument Information Radiation: CuKa1 Wavelength: 1.54060 Instrument(d): calculated Instrument(I): calculated I type: peak heights I/Icor: 0.11 Comments and Additional Information MC N AL3269 220 Temperature factor: IB=B,Al EN Al(2) z=.3030 Literature References General: Calculated from NIST using POWD-12++ ( ) Structure: J.S.Kasper,M.Vlasse & R.Naslain J. Solid State Chem. 20 281 (1977) 5. Card Information Names: Aluminum Boron aluminium boride Formula: ( Al0.942 B10 )5.2 PDF Number: 72-47 Quality: calculated Subfiles: inorganic alloy COR FIZ Cell and Symmetry Information System: orthorhombic Space Group: Bbmm (no. 63) a: 8.88100 b: 9.10000 c: 5.69000 Density (Dm): 2.537 Density (Dx): 2.501 Z: 1 Instrument Information Radiation: CuKa1 Wavelength: 1.54060 Instrument(d): calculated Cut Off: 17.7 Instrument(I): calculated I type: peak heights I/Icor: 0.19 Comments and Additional Information ICSD Number: 015354 TT Calcul. formula slightly deviates from input. TT Calc. density unusual but tolerable. TT At least one TF implausible. Temperature factor: ITF TI Crystal structure analysis of Al B10 by the convolution molecule method WY h2 g2 f4 c b (BBMM) Analysis: Al B10 AF NO18 Literature References General: Calculated from ICSD using POWD-12++ (1997) Structure: Will, G. Acta Crystallogr. 23 1071 (1967) 6. Card Information Names: Aluminum Boron Aluminium boride Formula: Al B31 PDF Number: 80-621 Quality: calculated Subfiles: inorganic alloy COR FIZ Cell and Symmetry Information System: rhombohedral Space Group: R-3m (no. 166) a: 10.965 c: 23.868 Density (Dx): 2.411 Z: 10 Instrument Information Radiation: CuKa1 Wavelength: 1.54060 Instrument(d): calculated Cut Off: 17.7 Instrument(I): calculated I type: peak heights I/Icor: 0.24 Comments and Additional Information ICSD Number: 068424 Temperature factor: ITF TI Single-crystal X-ray diffraction study of Al B31 of the beta-rhombohedral boron structure WY i6 h10 c2 b (R3-MH) AF N10O309 Literature References General: Calculated from ICSD using POWD-12++ (1997) Structure: Higashi, I., Iwasaki, H., Ito, T., Lundstrom,T., Okada, S., Tergenius, L.-E. J. Solid State Chem. 82 230 (1989) 7. Card Information Names: Boron Aluminum Formula: Al B10 PDF Number: 15-617 Quality: unknown Subfiles: inorganic alloy Cell and Symmetry Information System: orthorhombic Space Group: Bbmm (no. 63) a: 8.881 b: 9.100 c: 5.690 Density (Dm): 2.537 Z: 5.2 Instrument Information Radiation: CuKa Wavelength: 1.5418 Filter: Ni Instrument(d): unknown Instrument(I): densitometer I type: unknown Comments and Additional Information General: Pseudotetragonal. General: Single-crystal data taken. General: Eight or nine of the available 66 sites appear to be unoccupied. General: Structure similar to that for Al C4 B24. [Will, G., Acta Crystallogr., Sec. B , 25 1219 (1969)]. Literature References General: Kohn et al. Z. Kristallogr., Kristallgeom., Kristallphys., Kristallchem. 111 53 (1958) Unit Cell: Will, G. Acta Crystallogr. 23 1071 (1967) 8. Card Information Names: Aluminum Boron Formula: Al B10 PDF Number: 22-2 Quality: questionable Subfiles: inorganic alloy Cell and Symmetry Information System: rhombohedral Space Group: R (no. 0) a: 7.835 c: 15.91 Z: 9 Instrument Information Radiation: Wavelength: Instrument(d): unknown Instrument(I): unknown I type: unknown Comments and Additional Information Unit Cell: Rhombohedral cell: a=6.97, alpha=68.4 degrees. Preparation: Formed by heating Al B10 at 950 C in He atmosphere. General: High temperature form. Literature References General: Will. Z. Kristallogr., Kristallgeom., Kristallphys., Kristallchem. 128 156 (1969) 9. Card Information Names: Aluminum Boron Formula: Al B2 PDF Number: 39-1483 Quality: star Subfiles: inorganic alloy CP NBS Cell and Symmetry Information System: hexagonal Space Group: P6/mmm (no. 191) a: 3.0054 c: 3.25276 Z: 1 Instrument Information Radiation: CuKa1 Wavelength: 1.5405981 Filter: Graph Instrument(d): diffractometer Cut Off: 17.7 Standard: Si Instrument(I): diffractometer I type: peak heights Comments and Additional Information Source: The sample was provided by the National Bureau of Standards, Maryland, USA. Structure: alpha-Al2 O3 was present as a minor phase impurity. The structure of Al B2 was determined by Marcantonia and Mondolfo (1). Pattern: To replace 00-009-0154. Temperature: The mean temperature was 25 C. Literature References General: Wong-Ng, W., McMurdie, H., Paretzkin, B.,Hubbard, C., Dragoo, A., NBS (USA). ICDD Grant-in-Aid (1988) Unit Cell: Wong-Ng, W., McMurdie, H., Paretzkin, B.,Hubbard, C., Dragoo, A. Powder Diffraction 3 180 (1988) Structure: 1. Marcantonio, J., Mondolfo, L. J. Inst. Met. 98 23 (1970) 10. Card Information Names: Aluminum Boron Formula: Al27.87 B352 PDF Number: 65-1354 Quality: calculated Subfiles: inorganic alloy NST Cell and Symmetry Information System: orthorhombic Space Group: P212121 (no. 19) a: 16.623 b: 17.540 c: 10.180 Density (Dm): 2.560 Density (Dx): 2.549 Z: 1 Instrument Information Radiation: CuKa1 Wavelength: 1.54060 Instrument(d): calculated Instrument(I): calculated I type: peak heights I/Icor: 0.05 Comments and Additional Information MC N AL1225 216 Temperature factor: IB=Al,B Literature References General: Calculated from NIST using POWD-12++ ( ) Structure: R.E.Hughes,M.E.Leonowicz,J.T.Lemley & L.-T.Ta J. Am. Chem. Soc. 99 5507 (1977) |
4楼2013-11-05 15:48:34
