Chromium thiophosphate, CrPS4, is monoclinic with a = 10.871 (2), b = 7.254 (2), c = 6.140 (2)/k,/3 = 91.88 (4) °, V = 483.9 (4) /~3, space group C2 and Z = 4. The crystal structure has been determined by Fourier methods from the X-ray intensities of 911 independent reflexions measured on a four-circle automatic single-crystal diffractometer, and refined to R = 0-019. It is characterized by puckered hexagonally close-packed sulphur layers stacked parallel to (I00) with Cr in octahedral and P in tetrahedral interstices. CrPS4 is the first metal thiophosplaate with the metal atom in octahedral sulphur coordination.
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