The D2d (CaCu5) Structure
Last modified 4 June 2001
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B1 = | 0 | (1a) | (Ca) | ||
B2 = | 1/3 A1 + 2/3 A2 | = | ½ a X + (12)-½ a Y | (2c) | (Cu-I) |
B3 = | 2/3 A1 + 1/3 A2 | = | ½ a X - (12)-½ a Y | (2c) | (Cu-I) |
B4 = | ½ A1 + ½ A3 | = | ¼ a X - ¼ 3-½ a Y + ½ c Z | (3g) | (Cu-II) |
B5 = | ½ A2 + ½ A3 | = | ¼ a X + ¼ 3-½ a Y + ½ c Z | (3g) | (Cu-II) |
B4 = | ½ A1 + ½ A2 + ½ A3 | = | ½ a X + ½ c Z | (3g) | (Cu-II) |
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