NWU sample Compound_3_K10_Mo2O4F7_3Cl

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Empirical formula:	Cl₂F_42.02K₂₀Mo₁₂O₂₄
a:	19.907 Å
b:	7.764 Å
c:	11.214 Å
α (alpha):	90.00 °
β (beta):	90.00 °
γ (gamma):	90.00 °
Volume:	1733.21 Å³
Space group:	Pmn2₁
Calculated density:	3.053 g/cm³
Color:	clear colourless
Z:	1
Temperature:	-173.0 °C
Formula weight:	3186.450 g/mole
R(F):	0.0425
R_w(F²):	0.1130
Provider's reference number:	Compound_3_K10_Mo2O4F7_3Cl
Contact within provider's lab:	Martin Donakowski
Contact within provider's lab:	Michael Holland
Crystallographer:	Martin Donakowski
Moiety formula:	4(F₇Mo₂O₄), F_14.02Mo₄O₈, 2(Cl), 20(K)
Layman's explanation:	A crystal that contains molbydenum and negative ions that exist in channels. The compound exhibits second harmonic generation - when laser light is directed through the crystal, the light can double its wavelength. This can charge infrared light (for example, 1064 nm frequency light) to green light (532 nm frequency light).
Lab name:	Northwestern University X-Ray Crystallography Services
Sample provider:	Kenneth R. Poeppelmeier
Status:	Complete, visible to public

Repository Files:
3_K10_Mo2O4F7_3Cl.cif Partial oxide-fluoride disorder exists.	3_K10_Mo2O4F7_3Cl.crt	3_K10_Mo2O4F7_3Cl.pdb	3_K10_Mo2O4F7_3Cl.pdf