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Joanneumite, Cu(C3N3O3H2)2(NH3)2, a new mineral from Pabellón de Pica, Chile and the crystal structure of its synthetic analogue

Published online by Cambridge University Press:  02 January 2018

Hans-Peter Bojar ,
Franz Walter  and
Judith Baumgartner
Hans-Peter Bojar*
Affiliation:
Universalmuseum Joanneum, Centre of Natural History, Weinzöttlstraße 16, A-8045 Graz, Austria
Franz Walter
Affiliation:
Institute of Earth Sciences (Mineralogy and Petrology), University of Graz, Universitätsplatz 2, A–8010 Graz, Austria
Judith Baumgartner
Affiliation:
Institute of Inorganic Chemistry, Technical University of Graz, Stremayrgasse 16/IV, A–8010 Graz, Austria
*
*E-mail: [email protected]
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Abstract

The new mineral joanneumite was found at Pabellón de Pica Mountain, Iquique Province, Tarapacá Region, Chile, where it occurs as violet microcrystalline aggregates up to 2 mm in size in small cracks in a gabbroic rock, which is covered by a guano deposit. Associated minerals are salammoniac, dittmarite, möhnite and gypsum. Joanneumite is non-fluorescent and the Mohs hardness is 1. The calculated density is 2.020 g cm–3. The infrared spectrum of joanneumite shows the frequencies of NH3 and isocyanurate groups and the absence of absorptions of H2O molecules and OH– ions. The chemical composition (electron microprobe data, the hydrogen was calculated from the structural formula, wt.%) is C 20.33, N 31.11, O 28.34, Cu 17.27, Zn 0.24, H 2.82, total 100.11. The empirical formula is Cu0.96Zn0.01N7.84C5.98O6.25H9.96 and the idealized formula is CuN8C6O6H10 with the structural formula Cu(C3N3O3H2)2(NH3)2. Due to the lack of suitable single crystals the synthetic analogue of joanneumite was prepared for the single-crystal structure refinement. The crystal structure was solved and refined to R = 0.025 based upon 1166 unique reflections with I > 2σ (I). Joanneumite is triclinic, space group P1̄, a = 4.982(1), b = 6.896(1), c = 9.115(2) Å, α = 90.53(3), β = 97.85(3), γ = 110.08(3)°, V = 290.8(1) Å3, Z = 1 obtained from single-crystal data at 100 K, which are in good agreement with cell parameters from powder diffraction data of joanneumite at 293 K: a = 5.042(1), b = 6.997(1), c = 9.099(2) Å, α = 90.05(3), β = 98.11(2), γ = 110.95(3)° and V = 296.3(1) Å3. The eight strongest lines of the powder X-ray diffraction pattern are [d, Å (I,%) (hkl)] 6.52 (68) (010), 5.15 (47) (011), 4.66 (21) (100, 110), 4.35 (9) (1̄11), 3.29 (6) (1̄20), 3.22 (7) (1̄1̄1), 3.140 (100) (1̄21), 2.074 (7) (1̄32). The crystal structure of joanneumite is identical with the structure of synthetic bis(isocyanurato) diamminecopper(II).

Keywords

joanneumitenew mineralsynthetic analoguecrystal structurePabellón de PicaChile
Type
Research Article
Information
Mineralogical Magazine , Volume 81 , Issue 1 , February 2017 , pp. 155 - 166
Copyright
Copyright © The Mineralogical Society of Great Britain and Ireland 2017

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