Thermodynamics of Condensed Phases: Formula Unit Volume, Vm, and the Determination of the Number of Formula Units, Z, in a Crystallographic Unit Cell
Formula unit (or molecular) volume, Vm, is related to many thermodynamic and physical properties of materials, so that knowledge of Vm is useful in prediction of such properties for known and even hypothetical materials. The symbol Z represents the number of formula units in a crystallographic unit...
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| Format: | Journal Article |
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American Chemical Society, Division of Chemical Education
2011
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| Online Access: | http://hdl.handle.net/20.500.11937/14992 |
| _version_ | 1848748772262150144 |
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| author | Glasser, Leslie |
| author_facet | Glasser, Leslie |
| author_sort | Glasser, Leslie |
| building | Curtin Institutional Repository |
| collection | Online Access |
| description | Formula unit (or molecular) volume, Vm, is related to many thermodynamic and physical properties of materials, so that knowledge of Vm is useful in prediction of such properties for known and even hypothetical materials. The symbol Z represents the number of formula units in a crystallographic unit cell; Z thus permits calculation of Vm from the unit-cell volume. Unfortunately, Z is sometimes omitted from published crystal constants (for obscure reasons).We discuss methods for evaluation of Z and Vm, and some of the complications in the assessment of Z. We show how entropy, lattice energy, and bulk isothermal compressibility (a thermoelastic property) are calculated using thermodynamic correlations, with the chalcopyrite CuAlS2 as an example. |
| first_indexed | 2025-11-14T07:10:21Z |
| format | Journal Article |
| id | curtin-20.500.11937-14992 |
| institution | Curtin University Malaysia |
| institution_category | Local University |
| last_indexed | 2025-11-14T07:10:21Z |
| publishDate | 2011 |
| publisher | American Chemical Society, Division of Chemical Education |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | curtin-20.500.11937-149922017-09-13T16:06:42Z Thermodynamics of Condensed Phases: Formula Unit Volume, Vm, and the Determination of the Number of Formula Units, Z, in a Crystallographic Unit Cell Glasser, Leslie Materials Science Thermodynamics X-ray Crystallography Physical Chemistry Physical Properties Solids Textbooks/Reference Books Upper-Division Undergraduate - Crystals/Crystallography Inorganic Chemistry Formula unit (or molecular) volume, Vm, is related to many thermodynamic and physical properties of materials, so that knowledge of Vm is useful in prediction of such properties for known and even hypothetical materials. The symbol Z represents the number of formula units in a crystallographic unit cell; Z thus permits calculation of Vm from the unit-cell volume. Unfortunately, Z is sometimes omitted from published crystal constants (for obscure reasons).We discuss methods for evaluation of Z and Vm, and some of the complications in the assessment of Z. We show how entropy, lattice energy, and bulk isothermal compressibility (a thermoelastic property) are calculated using thermodynamic correlations, with the chalcopyrite CuAlS2 as an example. 2011 Journal Article http://hdl.handle.net/20.500.11937/14992 10.1021/ed900046k American Chemical Society, Division of Chemical Education restricted |
| spellingShingle | Materials Science Thermodynamics X-ray Crystallography Physical Chemistry Physical Properties Solids Textbooks/Reference Books Upper-Division Undergraduate - Crystals/Crystallography Inorganic Chemistry Glasser, Leslie Thermodynamics of Condensed Phases: Formula Unit Volume, Vm, and the Determination of the Number of Formula Units, Z, in a Crystallographic Unit Cell |
| title | Thermodynamics of Condensed Phases: Formula Unit Volume, Vm, and the Determination of the Number of Formula Units, Z, in a Crystallographic Unit Cell |
| title_full | Thermodynamics of Condensed Phases: Formula Unit Volume, Vm, and the Determination of the Number of Formula Units, Z, in a Crystallographic Unit Cell |
| title_fullStr | Thermodynamics of Condensed Phases: Formula Unit Volume, Vm, and the Determination of the Number of Formula Units, Z, in a Crystallographic Unit Cell |
| title_full_unstemmed | Thermodynamics of Condensed Phases: Formula Unit Volume, Vm, and the Determination of the Number of Formula Units, Z, in a Crystallographic Unit Cell |
| title_short | Thermodynamics of Condensed Phases: Formula Unit Volume, Vm, and the Determination of the Number of Formula Units, Z, in a Crystallographic Unit Cell |
| title_sort | thermodynamics of condensed phases: formula unit volume, vm, and the determination of the number of formula units, z, in a crystallographic unit cell |
| topic | Materials Science Thermodynamics X-ray Crystallography Physical Chemistry Physical Properties Solids Textbooks/Reference Books Upper-Division Undergraduate - Crystals/Crystallography Inorganic Chemistry |
| url | http://hdl.handle.net/20.500.11937/14992 |