| Reference Type | Journal (article/letter/editorial) |
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| Title | The crystal structure of polylithionite-1M from Darai-Pioz, Tajikistan: the role of short-range order in driving symmetry reduction in 1M Li-rich mica |
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| Journal | The Canadian Mineralogist |
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| Authors | Hawthorne, Frank C. | Author |
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| Sokolova, Elena | Author |
| Agakhanov, Atali A. | Author |
| Pautov, Leonid A. | Author |
| Karpenko, Vladimir Yu. | Author |
| Year | 2019 (July 15) | Volume | 57 |
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| Page(s) | 519-528 | Issue | 4 |
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| Publisher | Mineralogical Association of Canada |
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| DOI | doi:10.3749/canmin.1800083Search in ResearchGate |
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| Classification | Not set | LoC | Not set |
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| Mindat Ref. ID | 65578 | Long-form Identifier | mindat:1:5:65578:9 |
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| GUID | 0dac4772-1611-40eb-be24-31ef2ed6fb73 |
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| Full Reference | Hawthorne, Frank C., Sokolova, Elena, Agakhanov, Atali A., Pautov, Leonid A., Karpenko, Vladimir Yu. (2019) The crystal structure of polylithionite-1M from Darai-Pioz, Tajikistan: the role of short-range order in driving symmetry reduction in 1M Li-rich mica. The Canadian Mineralogist, 57 (4) 519-528 doi:10.3749/canmin.1800083 |
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| Plain Text | Hawthorne, Frank C., Sokolova, Elena, Agakhanov, Atali A., Pautov, Leonid A., Karpenko, Vladimir Yu. (2019) The crystal structure of polylithionite-1M from Darai-Pioz, Tajikistan: the role of short-range order in driving symmetry reduction in 1M Li-rich mica. The Canadian Mineralogist, 57 (4) 519-528 doi:10.3749/canmin.1800083 |
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| In | (2019, July) The Canadian Mineralogist Vol. 57 (4) Mineralogical Association of Canada |
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| Abstract/Notes | The crystal structure of polylithionite-1M from Darai-Pioz, (K0.97Na0.03Rb0.01)Σ1.01(Li2.04Al0.84 Ti4+0.09Fe3+0.03)Σ3.00(Si3.98Al0.02)O10[F1.68(OH)0.33]Σ2, a 5.1974(4), b 8.9753(6), c 10.0556(7) Å, β 100.454(1)°, V 461.30(6) Å3, space group C2, Z = 2, was refined to R1 = 1.99% using MoKα X-radiation. In the space group C2, there are three octahedrally coordinated M sites in the 1M mica structure: the M(1) site is occupied by Li+ and minor vacancy that is likely locally associated with Ti4+ at the M(2) site; the M(2) site is occupied dominantly by Al3+, with other minor divalent to tetravalent cations; the M(3) site is completely occupied by Li+. In the space group C2, the structure is completely ordered. Each non-bridging O2– ion is surrounded by an ordered arrangement of 2Li+ + Al3+ + Si4+ with an incident bond-valence sum of 1.95 vu (valence units). The F– ion is coordinated by Li+ + Li+ + Al3+ with an incident bond-valence sum of 0.84 vu (values around F– generally tend to be lower than ideal). Thus, the valence-sum rule is satisfied, both long range and short range. In the space group C2/m, there is long-range order but not short-range order. There are three different short-range arrangements, one of which has bond-valence deficiencies of 0.38 and 0.49 vu around the non-bridging O2– ion and the F– ion, destabilizing the structure relative to the more ordered arrangement of the C2 structure, which conforms more closely to the valence-sum rule. The drive to lower the symmetry in polylithionite-1M from C2/m to C2 comes from the short-range bond-valence requirements of the structure. |
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