Crystal chemical calculations

Details Crystal chemical calculations Crystal chemical calculations

Sep 1967

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1967gecoa..31.1479m&link_type=abstract

Geochimica et Cosmochimica Acta, vol. 31, Issue 9, pp.1479-1487

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Methods are indicated for calculating: 1. (i) the structural formula of a complex mineral, 2. (ii) the number of oxygen atoms in the unit cell, 3. (iii) the unit-cell dimension of an isometric isotype in a series where the dimensions of several other compositions are known, and 4. (iv) the unit-cell volume of an isotype of a non-isometric substance from the volume of a single known structure. Any physical characteristic that will lead to a calculation of the density can be used as a basis for calculation of other non-vectorial properties, such as the refractive index of an isotropic substance or the mean refractive index for an isotropic one. The interrelations among chemical and physical properties are discussed briefly.

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