Quantitative advances in the Zintl-Klemm formalism

Structure and Bonding

Volumn 139, Issue , 2011, Pages 1-55

  Miller, Gordon J ^a   Schmidt, Michael W ^a   Wang, Fei ^a   You, Tae Soo ^b  

^a IOWA STATE UNIVERSITY   (United States)

^b Chungbuk National University   (South Korea)

Author keywords

Electronic Structure; Zintl Klemm Formalism

Indexed keywords

EID: 79960824901     PISSN: 00815993     EISSN: 16168550     Source Type: Book Series    
DOI: 10.1007/430_2010_24     Document Type: Article

References (199)

1. Myers R (2003) The basics of chemistry. Greenwood, Westport, CT, pp 74-77
2. Mitchell PR, Parish RV (1969) J Chem Educ 46:811
3. Gillespie RJ, Hargittai I (1991) The VSEPR model of molecular geometry. Allyn and Bacon, Boston
4. Gillespie RJ, Robinson EA (2005) Chem Soc Rev 34:396
5. Wade K (1976) Adv Inorg Chem Radiochem 18:1
6. Mingos DMP (1977) Adv Organomet Chem 15:1
7. Burdett JK (1980) Molecular shapes. Wiley, New York
8. Schäfer H, Eisenmann B, Müller W (1973) Angew Chem Intl Ed Engl 12:694
9. Schäfer H, Eisenmann B (1981) Rev Inorg Chem 3:29
10. Schäfer H (1985) Annu Rev Mater Sci 15:1
11. Nesper R (1990) Prog Solid State Chem 20:1
12. Zintl E, Dullenkopf W (1932) Z phys Chem B16:183
13. Zintl E, Brauer G (1933) Z phys Chem B20:245
14. Zintl E (1939) Angew Chem 52:1
15. Hume-Rothery W (1926) J Inst Metals 35:296
16. Westgren AF, Phragmén G (1926) Z Metallkunde 18:279
17. Laves F, Witte H (1936) Metallwirtschaft 15:840
18. Grimm HO, Sommerfeld A (1926) Z Phys 36:36
19. Zintl E, Woltersdorf G (1935) Z Elektrochem 41:876
20. Pauling L (1960) The nature of the chemical bond, 3rd edn. Cornell University Press, Ithaca, New York
21. Klemm W (1959) Proc Chem Soc London 329
22. Klemm W (1956) Trab Reun Int React Solidos 3rd 1:447
23. von Schnering HG (1985) Nova Acta Leopold 59:165
24. Kauzlarich SM (ed) (1996) Chemistry, structure, and bonding ofzintl phases and ions. VCH, Weinheim, Germany
25. Miller GJ, Lee C-S, Choe W (2002) In: Meyer G, Naumann D, Wesemann L (eds) Inorganic chemistry highlights. Wiley, Weinheim
26. Allen LC (1989) J Am Chem Soc 111:9003
27. Mann JB, Meek TL, Allen LC (2000) J Am Chem Soc 122:2780
28. van Arkel AE (1956) Molecules and crystals in inorganic chemistry. Interscience, New York
29. Ketelaar JAA (1958) Chemical constitution: an introduction to the theory of the chemical bond, 2nd edn. Elsevier, Amsterdam
30. Burdett JK (1995) Chemical bonding in solids. Oxford University Press, Oxford
31. Pettifor D (1995) Bonding and structure ofmolecules and solids. Clarendon, Oxford
32. Palmer MH, Findlay RH (1983) J Mol Struct (Theochem) 104:327-339
33. Lu C-S, Donohue J (1944) J Am Chem Soc 66:818-827
34. Almond MJ, Forsyth GA, Rice DA et al (1989) Polyhedron 8:2631-2636
35. Sharma BD, Donohue J (1963) Acta Crystallogr 16:891-897
36. DeLucia ML, Coppens P (1978) Inorg Chem 17:2336-2338
37. Irsen SH, Jacobs P, Dronskowski R (2001) Z Anorg Allg Chem 627:321-325
38. Pritchina EA, Gritsan NP, Zibarev AV et al (2009) Inorg Chem 48:4075-4082
39. Chung G, Lee D (2002) J Mol Struct (Theochem) 582:85-90
40. Bragin J, Evans MV (1969) J Chem Phys 51:268-277
41. Turowski A, Appel R, Sawodny W et al (1978) J Mol Struct 48:313-323
42. Steudel R (1981) Z Naturforsch A36:850-858
43. Findlay RH, Palmer MH, Downs AJ et al (1980) Inorg Chem 19:1307-1314
44. Tang T-H, Bader RFW, MacDougallPJ (1985) Inorg Chem 24:2047-2053
45. Rzepa HS, Woollins JD (1990) Polyhedron 9:107-111
46. Schugart KA (1990) Polyhedron 9:1935-1937
47. Scherer W, Spiegler M, Pedersen B et al (2000) Chem Commun 635-636
48. Bridgeman AJ, Cavigliasso G, Ireland LR et al (2001) J Chem Soc Dalton Trans 2095-2108
49. Geier J (2006) J Phys Chem A110:9273-9281
50. Hassel O, Viervoll H (1943) Tidsskr Kjemi Bergv 3:7
51. Lippincott ER, Tobin MC (1953) J Chem Phys 21:1559-1565
52. Drew MGB, Templeton DH, Zalkin A (1967) Inorg Chem 6:1906-1910
53. Gieren VA, Dedderer B, Roesky HW et al (1978) Z Anorg Allg Chem 440:119-129
54. Konu J, Bajorek T, Laitinen RS et al (2006) Eur J Inorg Chem 2951-2958
55. Griffin AM, Minshall PC, Sheldrick GM (1976) J Chem Soc Chem Commun 809-810
56. Minshall PC, Sheldrick GM (1978) Acta Crystallogr B34:1326-1328
57. Ito T, Morimoto N, Sadanaga R (1952) Acta Crystallogr 5:775-782
58. Porter EJ, Sheldrick GM (1972) J Chem Soc Dalton Trans 13:1347-1349
59. Ohse L, Somer M, Brockner W (1988) Z Naturforsch A43:326-330
60. Ystenes M, Menzel F, Brockner W (1994) Spectrochim Acta A50:225-231
61. Banerjee A, Jensen JO, Jensen JL (2003) J Mol Struct (Theochem) 626:63-75
62. Bonazzi P, Menchetti S, Pratesi G (1995) Am Mineral 80:400-403
63. Fletcher GD, Schmidt MW, Gordon MS (1999) Adv Chem Phys 110:267-294
64. Perdew JP, Ruzsinsky A, Csonka GI et al (2009) Phys Rev Lett 103:026403
65. Kendall RA, Dunning TH, Harrison RJ (1992) J Chem Phys 96:6796-6806
66. P, S use the replacement known as aug-cc-pV(T+d)Z: Dunning TH, Peterson KA, Wilson AK (2001) J Chem Phys 114:9244-9253
67. Wilson AK, Woon DE, Peterson KA et al (1999) J Chem Phys 110:7667-7676
68. Schmidt MW, Baldridge KK, Boatz JA et al (1993) J Comput Chem 14:1347-1363
69. Lu WC, Wang CZ, Schmidt MW et al (2004) J Chem Phys 120:2629-2637; 120:2638-2651
70. Edmiston C, Ruedenberg K (1963) Rev Mod Phys 35:457-465
71. Raffenetti RC, Ruedenberg K, Janssen CL et al (1993) Theor Chim Acta 86:149-165
72. Ivanic J, Atchity GM, Ruedenberg K (2008) Theor Chem Acc 120:281-294
73. Ivanic J (2003) J Chem Phys 119:9364-9376; 119:9377-9385
74. Coulson CA, Longuet-Higgins HC (1947) Proc R Soc London A191:39-60
75. Lennard-Jones JE (1952) J Chem Phys 20:1024-1029
76. Chirgwin BH (1957) Phys Rev 107:1013-1025
77. Löwdin PO (1955) Phys Rev 97:1474-1489; 97:1490-1508; 97:1509-1520
78. Baden W, Schmidt PC, Weiss A (1979) Phys Stat Sol A 51:183-190
79. Ehrenberg H, Pauly H, Knapp M et al (2004) J Solid State Chem 177:227-230
80. Jang GE, Curelaru IM, Hentschel MP (1994) J Cryst Growth 141:399-403
81. Kuriyama K, Saito S, Iwamura K (1979) J Phys Chem Solids 40:457-461
82. Lindqvist I (1958) J Inorg Nucl Chem 6:159-160
83. Kim S-J, Fässler TF (2009) J Solid State Chem 182:778-789
84. Kim S-J, Kraus F, Fässler TF (2009) J Am Chem Soc 131:1469-1478
85. Klem MT, Corbett JD (2005) Inorg Chem 44:5990-5995
86. Mudring AV, Corbett JD (2005) Inorg Chem 44:5636-5640
87. Ponou S, Mueller N, Fässler TF et al (2005) Inorg Chem 44:7423-7430
88. Wendorff M, Röhr C (2007) Z Naturforsch B Chem Sci 62:1227-1234
89. Wendorff M, Röhr C (2007) Z Anorg Allg Chem 633:1541-1550
90. Xu Z, Guloy AM (1998) J Am Chem Soc 120:7349-7350
91. Ponou S, Kim S-J, Fässler TF (2007) Z Anorg Allg Chem 633:1568-1574
92. Ge M-H, Corbett JD (2007) Inorg Chem 46:4138-4144
93. Wendorff M, Röhr C (2008) Z Naturforsch B Chem Sci 63:1383-1394
94. Kim S-J, Ponou S, Fässler TF (2008) Inorg Chem 47:3594-3602
95. You T-S, Tobash PH, Bobev S (2010) Inorg Chem 49:1773-1783
96. Saparov B, He H, Zhang X et al (2010) Dalton Trans 39:1063-1070
97. Saparov B, Broda M, Ramanujachary KV et al (2010) Polyhedron 29:456-462
98. Massalski TB (ed) (1990) Binary alloy phase diagrams. ASM International, Materials Park, OH
99. Nagamatsu J, Nakagawa N, Muranaka T et al (2001) Nature 410:63
100. Hassel O (1924) Z Phys 25:317
101. Hofmann U, Wilm D (1936) Z Elektrochem 42:504
102. Trucano P, Chen R (1975) Nature 258:136
103. Lipson H, Stokes AR (1942) Nature 149:328
104. Choi HJ, Roundy D, Sun H et al (2002) Nature 418:758
105. Fogg AM, Chalker PR, Claridge JB et al (2003) Phys Rev B Condens Mat Mater Phys 67:245106/1-10
106. Karpinski J, Kazakov SM, Jun J et al (2004) Physica C Supercond 408-410:81-82
107. Kortus J, Dolgov OV, Kremer RK et al (2005) Phys Rev Lett 94:027002/1-4
108. Birajdar B, Wenzel T, Manfrinetti P et al (2006) J Phys Conf Ser 43:484-487
109. Fogg AM, Meldrum J, Darling GR et al (2006) J Am Chem Soc 128:10043-10053
110. Klein T, Lyard L, Marcus J et al (2006) Phys Rev B Condens Mat Mater Phys 73:224528/1-8
111. Mudgel M, Awana VPS, Kishan H et al (2007) Physica C Supercond 467:31-37
112. Karpinski J, Zhigadlo ND, Katrych S et al (2008) Phys Rev B Condens Mat Mater Phys 77:214507/1-11
113. Imai M, Sadki E-HS, Abe H et al (2003) Phys Rev B 68:064512
114. Imai M, Nishida K, Kimura T et al (2002) Appl Phys Lett 80:1019
115. Imai M, Nishida K, Kimura T et al (2002) Physica C 382:361
116. Lorenz B, Lenzi J, Cmaidalka J et al (2002) Physica C 383:191
117. Lorenz B, Cmaidalka J, Meng RL et al (2003) Phys Rev B 68:014512
118. Nakagawa T, Tokunaga M, Tamegai T (2006) Sci Technol Adv Mater 7:S108
119. Yamanaka S, Otsuki T, Ide T et al (2007) Physica C451:19
120. Evans MJ, Wu Y, Kranak VF et al (2009) Phys Rev B 80:064514
121. Shein IR, Medvedeva NI, Ivansivskii AL (2003) J Phys Condens Matter 15:L541
122. Mazin II, Papaconstantopoulos DA (2004) Phys Rev B 69:180512(R)
123. Huang GQ, Chen LF, Liu M et al (2004) Phys Rev B 69:064509
124. Giantomassi M, Boeri L, Bachelet GB (2005) Phys Rev B 72:224512
125. Huang GQ, Liu M, Chen LF et al (2005) Physica C 423:9
126. Hoffmann RD, Pöttgen R (2001) Z Kristallogr 216:127-145
127. Burdett JK, Miller GJ (1990) Chem Mater 2:12-26
128. Villars P, Calvert LD (1997) Pearson's handbook of crystallographic data for intermetallic phases, 2nd edn. American Society for Metals, Materials Park, OH
129. 2 Systems (Ae = Ca, Sr, Ba; E = Al, Ga, In). Ph.D. thesis, Stockholm University
130. Johnston RL, Hoffmann R (1992) Z Anorg Allg Chem 616:105
131. Söderberg K, Boström M, Kubotac Y et al (2006) J Solid State Chem 179:2690-2697
132. Kal S, Stoyanov E, Belieres J-P et al (2008) J Solid State Chem 181:3016-3023
133. Teatum E, Gschneidner KA, Waber J (1960) Compilation of calculated data useful in predicting metallurgical behaviour of the elements in binary alloy systems. LA-2345, Los Alamos Scientific Laboratory
134. Debray D (1973) J Less Common Met 30:237
135. Markiv VYa, Belyavina NN, Zhunkovskaya TI (1984) J Less Common Met 97:5
136. Pöttgen R, Kotzyba G, Schappacher FM et al (2001) Z Anorg Allg Chem 627:1299-1304
137. Bojin MD, Hoffmann R (2003) Helv Chim Acta 86:1653, 1683
138. Nuspl G, Polborn K, Evers J et al (1996) Inorg Chem 35:6922-6932
139. Dronskowski R, Blochl P (1993) J Phys Chem 97:8617
140. Jepsen O, Burkhardt A, Andersen OK (1999) The TB-LMTO-ASA Program, version 4.7. Max-Planck-Institut für Festkörperforschung, Stuttgart, Germany
141. Lee S (1991) J Am Chem Soc 113:101
142. Gourdon O, Gout D, Miller GJ (2005) Electronic states of intermetallic compounds. In: Bassani G, Liedl G, Wyder P (eds) Encyclopedia of condensed matter physics. Elsevier, Amsterdam, Netherlands, pp 409-422
143. Haarmann F, Koch K, Grüner D et al (2009) Chem Eur J 15:1673-1684
144. Haarmann F, Prots Y (2006) Z Anorg Allg Chem 632:2135
145. Sichevych O, Ramlau R, Giedigkeit R, et al (2000) Abstracts 13th international conference on solid compounds of transition elements, Stresa, O-13
146. You T-S, Lidin S, Gourdon O et al (2009) Inorg Chem 48:6380-6390
147. You T-S, Miller GJ (2009) Inorg Chem 48:6391-6401
148. Bobev S, Bauer ED, Thompson JD et al (2004) J Solid State Chem 177:3545-3552
149. Emsley J (1998) The elements. Clarendon, Oxford
150. Bockelmann W, Jacobs H, Schuster HU (1974) Z Anorg Allg Chem 410:233
151. Pöttgen R (1996) J Alloys Comp 243:L1
152. Eisenmann B, Klein J, Somer M (1990) Angew Chem Int Ed Engl 29:87
153. Kresse G, Hafner J (1993) Phys Rev B 47:558-561
154. Kresse G, Hafner J (1994) Phys Rev B 49:14251-14269
155. Kresse G, Furthmüller J (1996) Comput Mater Sci 6:15-50
156. Kresse G, Furthmüller J (1996) Phys Rev B 54:11169-11186
157. You T-S, Zhao J-T, Pöttgen R et al (2009) J Solid State Chem 182:2430-2442
158. You T-S, Miller GJ (2007) Inorg Chem 46:8801-8811
159. Evers J, Oehlinger G, Weiss A et al (1983) J Less Common Met 90:L19
160. Zheng C, Hoffmann R (1989) Inorg Chem 28:1074
161. Dong Z, Corbett JD (1993) J Am Chem Soc 115:11299-11303
162. Jarrold MF, Ray U, Ijiri Y (1991) Z Phys D 19:337-342
163. Honea EC, Ogura A, Murray CA et al (1993) Nature 366:42
164. Zdetsis AD (2001) Phys Rev A 64:023202
165. Zdetsis AD (2005) Comp Lett 1:337-342
166. Grube VG, Schmidt A (1936) Ztschr Elektrochem 42:201-209
167. Dronskowski R (2005) Computational chemistry of solid state materials. Wiley, Weinheim
168. Hoppe R (1966) Angew Chem Int Ed Engl 5:95-106
169. Hoppe R (1970) Angew Chem Int Ed Engl 9:25-34
170. Waddington TC (1959) Adv Inorg Chem Radiochem 1:157-221
171. Ewald PP (1921) Ann Phys Leipzig 64:253-287
172. Ashcroft NW, Mermin ND (1976) Solid state physics. Thomson Learning, CA, USA
173. Hafner J (1987) From Hamiltonians to phase diagrams. Springer, New York
174. Fuchs K (1935) Proc R Soc Lond A 151:585-602
175. Kresse G, Hafner J (1994) J Phys Condens Matter 6:8245-8257
176. Pawlowska Z, Christensen NE, Satpathy S et al (1986) Phys Rev B 34:7080-7088
177. Christensen NE (1985) Phys Rev B 32:207-228
178. Kresse G, Joubert D (1999) Phys Rev B 59:1758-1775
179. Evers J, Oehlinger G (2000) Inorg Chem 39:628-629
180. Pauling L (1929) J Am Chem Soc 51:1010-1026
181. Wedig U, Saltykov V, Nuss J, et al. (2010) J Am Chem Soc 132:12458-12463
182. Pauly H, Weiss A, Witte H (1968) Z Metallkde 59:47-57
183. Kim S-J, Miller GJ, Corbett JD (2010) Z Anorg Allg Chem 636:67-73
184. Janssen EMW, Folmer JCW, Wiegers GA (1974) J Less Common Met 38:71-76
185. Janssen EMW, Wiegers GA (1978) J Less Common Met 57:58-67
186. Jagodzinski H (1959) Z Kristallogr 112:80-87
187. Lee MH, Bjorling T, Hauback BC et al (2008) Phys Rev B Condens Mat Mater Phys 78:195209/1-11
188. Evans MJ, Holland GP, Garcia-Garcia FJ et al (2008) J Am Chem Soc 130:12139-12147
189. Nielsen JW, Baenziger NC (1954) Acta Crystallogr 7:277-282
190. Duwell EJ, Baenziger NC (1955) Acta Crystallogr 8:705-710
191. Ehrenberg H, Pauly H, Hanse T et al (2002) J Solid State Chem 167:1-6
192. Evers VJ, Oehlinger G, Sextl G (1993) Angew Chem 105:1532-1534
193. Evers VJ, Oehlinger G, Sextl G et al (1987) Angew Chem 99:69-71
194. Blasé W, Cordier G (1990) Z Kristalogr 193:317-318
195. Müller W, Schäfer H (1973) Z Nat B Anorg Chem Org Chem 28:246-248
196. Zalkin A, Ramsey WJ (1957) J Phys Chem 61:1413-1415
197. Witte J, Schnering HG, Klemm W (1964) Z Anorg Allg Chem 327:260-273
198. Müller W, Volk K (1977) Z Nat B Anorg Chem Org Chem 32:709-710
199. Busmann E (1961) Z Anorg Allg Chem 313:90-106