COL ICSD Collection Code 60057 DATE Recorded Dec 3, 1986 NAME Copper oxide (64/1) FORM Cu64 O = Cu64 O TITL Electron-microscopic study of the structure of metastable oxides formed in the initial stage of copper oxidation. III. Cu64 O REF Acta Crystallographica B (39,1983-) ASBSD 41 (1985) 219-225 AUT Guan R, Hashimoto˙H, Kuo˙K˙H CELL a=9.740 b=10.580 c=16.200 à=90.0 á=90.0 ç=90.0 V=1669.4 Z=2 SGR B m m 2 (38) - orthorhombic CLAS mm2 (Hermann-Mauguin) - C2v (Schoenflies) PRS oB130 ANX NO64 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Cu 1 0.000 8f 1/8 1/4 0.1875 Cu 2 0.000 8f 1/8 1/4 0.4375 Cu 3 0.000 8f 1/8 1/4 0.6875 Cu 4 0.000 8f 1/8 1/4 0.9375 Cu 5 0.000 8f 1/4 1/8 0.8125 0.5 Cu 6 0.000 8f 1/4 1/8 0.5625 0.5 Cu 7 0.000 8f 1/4 1/8 0.3125 0.5 Cu 8 0.000 8f 1/4 1/8 0.0625 0.5 Cu 9 0.000 8f 1/4 3/8 0.8125 0.5 Cu 10 0.000 8f 1/4 1/8 0.5625 0.5 Cu 11 0.000 8f 1/4 3/8 0.3125 0.5 Cu 12 0.000 8f 1/4 3/8 0.0625 0.5 Cu 13 0.000 4e 1/8 1/2 0.1875 Cu 14 0.000 4e 1/8 1/2 0.4375 Cu 15 0.000 4e 1/8 1/2 0.6875 Cu 16 0.000 4e 1/8 1/2 0.9375 Cu 17 0.000 4d 1/8 0. 0.1875 Cu 18 0.000 4d 1/8 0. 0.4375 Cu 19 0.000 4d 1/8 0. 0.6875 Cu 20 0.000 4d 1/8 0. 0.9375 Cu 21 0.000 4c 0. 1/8 0.0625 Cu 22 0.000 4c 0. 1/8 0.3125 Cu 23 0.000 4c 0. 1/8 0.5625 Cu 24 0.000 4c 0. 1/8 0.8125 Cu 25 0.000 4c 0. 3/8 0.0625 Cu 26 0.000 4c 0. 3/8 0.3125 Cu 27 0.000 4c 0. 3/8 0.5625 Cu 28 0.000 4c 0. 3/8 0.8125 O 1 0.000 2a 0. 0. 0. WYCK f11 e4 d4 c8 a REM EDP (electron diffraction from a powder) REM SFP (structure from projections) TEST At least one temperature factor missing in the paper. (Code 53) TEST No R value given in the paper. (Code 51) COL ICSD Collection Code 62764 DATE Recorded Jul 15, 1988 NAME Octacopper oxide FORM Cu8 O = Cu8 O TITL Electron-microscopic study of the structure of metastable oxides formed in the initial stage of copper oxidation. II. Cu8 O. REF Acta Crystallographica B (39,1983-) ASBSD 40 (1984) 560-566 AUT Guan R, Hashimoto˙H, Kuo˙K˙H CELL a=5.470 b=6.020 c=9.340 à=90.0 á=90.0 ç=90.0 V=307.6 Z=2 SGR B m m 2 (38) - orthorhombic CLAS mm2 (Hermann-Mauguin) - C2v (Schoenflies) PRS oB18 ANX NO8 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Cu 1 0.000 4* 1/4 1/2 -3/8 Cu 2 0.000 4* 1/4 0. -3/8 Cu 3 0.000 4* 0. 1/4 -1/8 Cu 4 0.000 4* 0. 3/4 -5/8 O 1 0.000 2a 0. 0. 0. WYCK a REM EDS (electron diffraction from a single crystal) TEST At least one temperature factor missing in the paper. (Code 53) TEST No R value given in the paper. (Code 51) COL ICSD Collection Code 26963 DATE Recorded Jan 1, 1980; updated Nov 10, 1997 NAME Copper(I) oxide MINR Cuprite - synthetic FORM Cu2 O = Cu2 O TITL Praezisionsmessung der Gitterkonstante von Cuprooxyd Cu2 O REF Zeitschrift fuer Physik ZEPYA 67 (1930) 845-850 REF Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) ZEKGA 77 (1931) 169-170 AUT Neuburger M C CELL a=4.252(2) b=4.252(2) c=4.252(2) à=90.0 á=90.0 ç=90.0 V=76.9 D=5.92(17) Z=2 SGR P n -3 m S (224) - cubic CLAS m-3m (Hermann-Mauguin) - Oh (Schoenflies) PRS cP6 ANX A2X PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- O 1 -2.000 2a 0. 0. 0. Cu 1 1.000 4b 1/4 1/4 1/4 WYCK b a REM XDP (X-ray diffraction from a powder) REM M PDF 5-667 TEST No R value given in the paper. (Code 51) TEST At least one temperature factor missing in the paper. (Code 53) TEST Calculated density unusual but tolerable. (Code 23) COL ICSD Collection Code 31057 DATE Recorded Sep 23, 1986; updated Nov 10, 1997 NAME Copper(I) oxide MINR Cuprite FORM Cu2 O = Cu2 O TITL Die Kristallstruktur einiger Oxyde I. REF Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) ZEKGA 57 (1922) 253-299 REF X-rays and Crystal Structure, London XRCSL 1915 (1915) 1 AUT Niggli P CELL a=4.260 b=4.260 c=4.260 à=90.0 á=90.0 ç=90.0 V=77.3 Z=2 SGR P n -3 m S (224) - cubic CLAS m-3m (Hermann-Mauguin) - Oh (Schoenflies) PRS cP6 ANX A2X PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Cu 1 1.000 4b 1/4 1/4 1/4 O 1 -2.000 2a 0. 0. 0. WYCK b a REM XDP (X-ray diffraction from a powder) REM M PDF 5-667 TEST No R value given in the paper. (Code 51) TEST At least one temperature factor missing in the paper. (Code 53) COL ICSD Collection Code 38233 DATE Recorded Jan 1, 1980; updated Nov 10, 1997 NAME Copper(I) oxide MINR Cuprite - synthetic FORM Cu2 O = Cu2 O TITL An investigation on oxidation of crystal surfaces with electron diffraction method, II.- copper single crystals REF Proceedings of the Physico-Mathematical Society of Japan PPMJA 20 (1938) 230-241 AUT Yamaguti T CELL a=4.258(4) b=4.258 c=4.258 à=90.0 á=90.0 ç=90.0 V=77.2 Z=2 SGR P n -3 m S (224) - cubic CLAS m-3m (Hermann-Mauguin) - Oh (Schoenflies) PRS cP6 ANX A2X PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- O 1 -2.000 2a 0. 0. 0. Cu 1 1.000 4b 1/4 1/4 1/4 WYCK b a REM EDS (electron diffraction from a single crystal) REM M PDF 5-667 REM M Natural cuprite has a=4.289(9) TEST No R value given in the paper. (Code 51) TEST At least one temperature factor missing in the paper. (Code 53) COL ICSD Collection Code 63281 DATE Recorded Dec 4, 1989; updated Nov 10, 1997 NAME Copper(I) oxide MINR Cuprite - from USA FORM Cu2 O = Cu2 O TITL Charge density in Cuprite, Cu2 O. REF Acta Crystallographica B (39,1983-) ASBSD 42 (1986) 201-208 AUT Restori R, Schwarzenbach˙D CELL a=4.267(2) b=4.267(2) c=4.267(2) à=90.0 á=90.0 ç=90.0 V=77.7 Z=2 SGR P n -3 m Z (224) - cubic CLAS m-3m (Hermann-Mauguin) - Oh (Schoenflies) PRS cP6 ANX A2X PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Cu 1 1.000 4b 0. 0. 0. O 1 -2.000 2a 1/4 1/4 1/4 WYCK b a ITF O 1 U=0.0098(75) ˙ TF Atom U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Cu 1 0.0072 0.0072 0.0072 0.0001 0.0001 0.0001 (2) (2) (2) (3) (3) (3) REM TEM 100 REM DEN (accurate electron density determination) REM AHT (anharmonic temperature factor given) REM F Anharmonic temperature factors have been deposited with the British Library Lending Division, SUP. No. 42674 REM M PDF 5-667 RVAL 0.010 COL ICSD Collection Code 1381 DATE Recorded Jan 1, 1980; updated Jan 19, 1999 NAME Copper oxide (16/14.2) MINR Paramelaconite - from Copper Queen mine, Bisbee, Arizona FORM Cu16 O14.15 = Cu16 O14.15 TITL The crystal structure of paramelaconite, (Cu2+)12 (Cu+)4 O14 REF Acta Crystallographica B (24,1968-38,1982) ACBCA 34 (1978) 22-26 AUT Datta N, Jeffery˙J˙W CELL a=5.817(1) b=5.817(1) c=9.893(2) à=90.0 á=90.0 ç=90.0 V=334.8 D=6.11(4) Z=1 SGR I 41/a m d Z (141) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tI30 ANX A8X7 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Cu 1 1.768 8c 0. 0. 0. Cu 2 1.768 8d 0. 0. 1/2 O 1 -2.000 16g 0.277(5) 0.527(5) 7/8 0.884 WYCK g d c ˙ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) Cu 1 0.0044 0.0045 0.0010 0.0000 0.0000 0.0001 (15) (17) (4) (16) Cu 2 0.0038 0.0036 0.0009 0.0000 0.0000 0.0008 (14) (6) (4) O 1 0.0034 0.0034 0.0016 0.0011 -0.0031 0.0031 (69) (69) (13) (111) (90) (90) REM M PDF 33-480 RVAL 0.083 COL ICSD Collection Code 16025 DATE Recorded Sep 23, 1986; updated Jan 19, 1999 NAME Copper oxide MINR Tenorite - synthetic from Na2CO3 flux at 1173 K for 20 h, slowly cooled FORM Cu O = Cu O TITL A Refinement of the crystal structure of copper(II) oxide with a discussion of some exceptional E.s.d.'s REF Acta Crystallographica B (24,1968-38,1982) ACBCA 26 (1970) 8-15 AUT Asbrink S, Lorrby˙L˙J CELL a=4.684(1) b=3.423(1) c=5.129(1) à=90.0 á=99.5(0) ç=90.0 V=81.1 D=6.45 Z=4 SGR C 1 2/c 1 (15) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mC8 ANX AX PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Cu 1 2.000 4c 1/4 1/4 0. O 1 -2.000 4e 0. 0.4184(13) 1/4 WYCK e c ˙ TF Atom U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Cu 1 0.0057 0.0079 0.0045 0.0021 0.0013 0.0008 (2) (2) (2) (4) (1) (4) O 1 0.0068 0.0111 0.0056 0.0000 0.0030 0.0000 (11) (13) (10) (9) REM M PDF 45-937 RVAL 0.032 TEST Calculated density unusual but tolerable. (Code 23) COL ICSD Collection Code 26715 DATE Recorded Jan 1, 1980; updated Jan 19, 1999 NAME Copper oxide MINR Tenorite - synthetic and from Mt. Vesuvius, Italy FORM Cu O = Cu O TITL Geometrical and optical properties, and crystal structure of tenorite REF Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) ZEKGA 90 (1935) 120-142 AUT Tunell G, Posnjak˙E, Ksanda˙C˙J CELL a=4.653(10) b=3.410(10) c=5.108(10) à=90.0 á=99.5(3) ç=90.0 V=79.9 D=6.45 Z=4 SGR C 1 2/c 1 (15) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mC8 ANX AX PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Cu 1 2.000 4c 1/4 1/4 0. O 1 -2.000 4e 0. 0.916 3/4 WYCK e c REM M PDF 45-937 TEST Calculated density unusual but tolerable. (Code 23) TEST No R value given in the paper. (Code 51) TEST At least one temperature factor missing in the paper. (Code 53) COL ICSD Collection Code 31059 DATE Recorded Jan 1, 1980; updated Jan 19, 1999 NAME Copper oxide MINR Tenorite FORM Cu O = Cu O TITL Die Kristallstruktur einiger Oxyde I. REF Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) ZEKGA 57 (1922) 253-299 AUT Niggli P CELL a=4.670 b=3.430 c=5.120 à=90.0 á=99.5 ç=90.0 V=80.9 D=6.45 Z=4 SGR C 1 2/c 1 (15) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mC8 ANX AX PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Cu 1 2.000 4c 1/4 1/4 0. O 1 -2.000 4e 0. 0.42 1/4 WYCK e c REM XDP (X-ray diffraction from a powder) REM M PDF 45-937, origin shifted by 1/4 1/4 0 to fit SGR, cp.26715 TEST Calculated density unusual but tolerable. (Code 23) TEST No R value given in the paper. (Code 51) TEST At least one temperature factor missing in the paper. (Code 53) COL ICSD Collection Code 100566 DATE Recorded Jan 1, 1980; updated Jan 19, 1999 NAME Dicopper(i) dicopper oxide MINR Paramelaconite - from Copper Queen Mine, Bisbee, Arizona FORM Cu4 O3 = Cu4 O3 TITL The crystal structure of paramelaconite, Cu4 O3 REF American Mineralogist AMMIA 63 (1978) 180-185 AUT O'Keeffe M, Bovin˙J˙O CELL a=5.837(1) b=5.837(1) c=9.932(2) à=90.0 á=90.0 ç=90.0 V=338.4 D=5.93(10) Z=4 SGR I 41/a m d Z (141) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tI28 ANX A2B2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Cu 1 1.000 8c 0. 0. 0. Cu 2 2.000 8d 0. 0. 1/2 O 1 -2.000 8e 0. 1/4 0.1173(9) O 2 -2.000 4b 0. 1/4 3/8 WYCK e d c b ITF O 1 B=0.8(2) ITF O 2 B=0.7(3) ˙ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) Cu 1 0.0066 0.0093 0.0021 0.0000 0.0000 -0.0023 (6) (6) (2) (4) Cu 2 0.0055 0.0038 0.0003 0.0000 0.0000 0.0001 (5) (5) (1) (3) REM M PDF 33-480 RVAL 0.035 COL ICSD Collection Code 61323 DATE Recorded Mar 16, 1987; updated Jan 19, 1999 NAME Copper oxide FORM Cu O = Cu O TITL Ueber Kryptomodifikationen des Cu(II)-Oxids REF Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main) ZPCFA 62 (1968) 268-279 AUT Schmahl N G, Eikerling˙G˙F CELL a=4.245(5) b=4.245(5) c=4.245(5) à=90.0 á=90.0 ç=90.0 V=76.5 Z=4 SGR F m -3 m (225) - cubic CLAS m-3m (Hermann-Mauguin) - Oh (Schoenflies) PRS cF8 ANX AX PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Cu 1 2.000 4a 0. 0. 0. O 1 -2.000 4b 1/2 1/2 1/2 WYCK b a REM M Halite structure type TEST No R value given in the paper. (Code 51) TEST At least one temperature factor missing in the paper. (Code 53) COL ICSD Collection Code 69094 DATE Recorded Jan 20, 1992; updated Jan 19, 1999 NAME Copper oxide MINR Tenorite FORM Cu O = Cu O TITL Low-temperature structures of CuO and AgO and their relationships to those of MgO and PdO REF Journal of Solid State Chemistry JSSCB 89 (1990) 184-190 AUT Brese N E, O'Keeffe˙M, Ramakrishna˙B˙L, Dreele˙R˙B˙von CELL a=4.683(0) b=3.421(0) c=5.129(0) à=90.0 á=99.6(0) ç=90.0 V=81.0 D=6.45 Z=4 SGR C 1 2/c 1 (15) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mC8 ANX AX PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Cu 1 2.000 4c 1/4 1/4 0. O 1 -2.000 4e 0. 0.4179(2) 1/4 WYCK e c ˙ TF Atom U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Cu 1 0.0017 0.0042 0.0027 0.0011 0.0012 0.0002 (2) (2) (2) (2) (1) (2) O 1 0.0036 0.0056 0.0017 0.0000 0.0016 0.0000 (3) (3) (3) (2) REM TEM 11 REM NDP (neutron diffraction from a powder) REM RVP REM M PDF 45-937 RVAL 0.070 TEST Calculated density unusual but tolerable. (Code 23) COL ICSD Collection Code 69757 DATE Recorded Jan 19, 1994; updated Jan 19, 1999 NAME Copper oxide MINR Tenorite FORM Cu O = Cu O TITL CuO: X-ray single-crystal structure determination at 196K and room temperature REF Journal of Physics: Condensed Matter JCOME 3 (1991) 8173-8180 AUT Asbrink S, Waskowska˙A CELL a=4.693(0) b=3.428(0) c=5.137(1) à=90.0 á=99.5(0) ç=90.0 V=81.5 D=6.45 Z=4 SGR C 1 c 1 (9) - monoclinic CLAS m (Hermann-Mauguin) - Cs (Schoenflies) PRS mC8 ANX AX PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Cu 1 2.000 4a 1/4 0.2467(3) 0. O 1 -2.000 4a -0.0104(14) 0.4177(8) 0.2602(14) WYCK a2 ˙ TF Atom U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Cu 1 0.0066 0.0087 0.0058 0.0018 0.0022 0.0000 (1) (1) (1) (1) (1) (1) O 1 0.0062 0.0119 0.0054 -0.0020 0.0031 -0.0005 (6) (7) (6) (10) (4) (11) REM M PDF 45-937 RVAL 0.042 COL ICSD Collection Code 69758 DATE Recorded Jan 19, 1994; updated Jan 19, 1999 NAME Copper oxide MINR Tenorite FORM Cu O = Cu O TITL CuO: X-ray single-crystal structure determination at 196K and room temperature REF Journal of Physics: Condensed Matter JCOME 3 (1991) 8173-8180 AUT Asbrink S, Waskowska˙A CELL a=4.689(0) b=3.427(0) c=5.132(1) à=90.0 á=99.7(0) ç=90.0 V=81.3 D=6.45 Z=4 SGR C 1 c 1 (9) - monoclinic CLAS m (Hermann-Mauguin) - Cs (Schoenflies) PRS mC8 ANX AX PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Cu 1 2.000 4a 1/4 0.2468(2) 0. O 1 -2.000 4a -0.0115(14) 0.4171(8) 0.2537(19) WYCK a2 ˙ TF Atom U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Cu 1 0.0055 0.0075 0.0041 0.0015 0.0018 0.0005 (1) (1) (1) (1) (1) (1) O 1 0.0055 0.0113 0.0043 -0.0005 0.0021 -0.0005 (6) (7) (5) (10) (4) (11) REM TEM 196 REM M PDF 45-937 RVAL 0.040 COL ICSD Collection Code 67850 DATE Recorded Jan 10, 1995; updated Jan 19, 1999 NAME Copper oxide MINR Tenorite - synthetic from gamma-Cu2 (O H)3 Cl FORM Cu O = Cu O TITL Microstructural characterization of nanocrystals of Zn O and Cu O obtained from basic salts REF Solid State Ionics SSIOD 63 (1993) 442-449 AUT Garcia-Martinez O, Rojas˙R˙M, Vila˙E, Martin de Vidales˙J˙L CELL a=4.680(1) b=3.431(0) c=5.136(1) à=90.0 á=99.3(0) ç=90.0 V=81.4 D=6.45 Z=4 SGR C 1 2/c 1 (15) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mC8 ANX AX PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Cu 1 2.000 4c 1/4 1/4 0. O 1 -2.000 4e 0. 0.5822(1) 1/4 WYCK e c ITF Cu 1 B=0.79(6) ITF O 1 B=0.79(6) REM XDP (X-ray diffraction from a powder) REM RVP REM M PDF 45-937 RVAL 0.019