Ab initio simulations of α- and β-ammonium carbamate (NH4·NH2CO2), and the thermal expansivity of deuterated α-ammonium carbamate from 4.2 to 180 K by neutron powder diffraction

Howard, C.M.; Wood, I.G.; Knight, K.S.; Fortes, A.D.

doi:10.1107/S2052520622002645

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 1
The ternary system of NH₃ + CO₂ ± H₂O. The compositions to form in this system are: (1) ammonium carbonate monohydrate; (2) ammonium sesquicarbonate monohydrate; (3) ammonium bicarbonate; (4) α- and β-ammonium carbamate (open circle); (5) urea; (6) CO₂ clathrate hydrate; (7) solid carbonic acid; (8) ammonia dihydrate; (9) ammonia monohydrate; (10) ammonia hemihydrate.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 78| Part 3| June 2022| Pages 459-475

https://doi.org/10.1107/S2052520622002645

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