caa a22 4500 37885481X CHVBK 20180305123332.0 cr unu---uuuuu 161128e20030501xx s 000 0 eng 10.1524/zkri.218.5.351.20735 doi (NATIONALLICENCE)gruyter-10.1524/zkri.218.5.351.20735 Crystal structures and Raman spectra of Cu(OH)F and Cu3(OH)2F4 [Elektronische Daten] [G. Giester, E. Libowitzky] Crystals of Cu(OH)F and Cu3(OH)2F4 have been synthesized at low-hydrothermal conditions in sizes up to 0.3 mm. The structures were solved from CCD X-ray single-crystal data and refined to R = 0.033 and 0.019, respectively. Cu(OH)F: space group P21/a, Z = 4, a = 5.301(1) Å, b = 6.376(1) Å, c = 5.074(1) Å, β = 112.90(1)°, and V = 157.98(5) Å3. Cu3(OH)2F4: space group P21/n, Z = 2, a = 5.501(1) Å, b = 4.766(1) Å, c = 8.462(1) Å, β = 92.28(1)°, and V = 221.68(7) Å3. In both compounds the copper atoms are 4 + 2 coordinated to their ligands (Jahn-Teller distortion). Cu(OH)F is isotypic to Cu(OH)Cl, forming layers of edge-sharing Cu(OH)3F3 polyhedra, which are interconnected by hydrogen bonds. The structure of Cu3(OH)2F4 is characterized by chains of edge-sharing Cu(OH)2F4 polyhedra running along [1 0 0], which are linked to each other via corners to form a framework. Hydrogen bonds of the type O—H···F occur with O···F distances of 2.619 and 2.697 Å in Cu(OH)Fand Cu3(OH)2F4, respectively. The observed O—H stretching frequencies of 3129 and 3306 cm-1, respectively, in Raman spectra are in excellent agreement with expected values from distance — frequency correlations. Moreover, the pleochroism of the bands corresponds in both compounds to the O—H orientation found in the structure determination. © 2003 Oldenbourg Wissenschaftsverlag GmbH Crystallography nationallicence Inorganic chemistry nationallicence Organic chemistry nationallicence Giester G. aut Libowitzky E. aut Zeitschrift für Kristallographie - Crystalline Materials De Gruyter Oldenbourg 218/5(2003-05-01), 351-356 2194-4946 218:5<351 2003 218 zkri https://doi.org/10.1524/zkri.218.5.351.20735 text/html Onlinezugriff via DOI 1 research article jats NATIONALLICENCE 856 40 https://doi.org/10.1524/zkri.218.5.351.20735 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Giester G. aut NATIONALLICENCE 700 1- Libowitzky E. aut NATIONALLICENCE 773 0- Zeitschrift für Kristallographie - Crystalline Materials De Gruyter Oldenbourg 218/5(2003-05-01), 351-356 2194-4946 218:5<351 2003 218 zkri CC0 http://creativecommons.org/publicdomain/zero/1.0 nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-gruyter