Crystallography Open Database
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COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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1010380 | CIF | F2 H K | I 4/m c m | 5.67; 5.67; 6.81 90; 90; 90 | 218.9 | Helmholz, L; Rogers, M T A Redetermination of the Fluorine - Fluorine Distance in Potassium Bifluoride Journal of the American Chemical Society, 1939, 61, 2590-2592 |
1010381 | CIF | Ni O | F m -3 m | 4.17; 4.17; 4.17 90; 90; 90 | 72.5 | Thomassen, L An X-Ray Investigation of the System Cr~2~ O~3~ - Ni O Journal of the American Chemical Society, 1940, 62, 1134-1135 |
1010389 | CIF | Cl6 Cs2 Ge | F m -3 m | 10.21; 10.21; 10.21 90; 90; 90 | 1064.3 | Laubengayer, A W; Billings, O B; Newkirk, A E Chlorogermanic Acid and the Chlorogermanates. Properties and Crystal Structure of Cesium Hexachlorogermanate Journal of the American Chemical Society, 1940, 62, 546-548 |
1010390 | CIF | F2 H5 N | P m a n | 8.426; 8.18; 3.69 90; 90; 90 | 254.3 | Rogers, M T; Helmholz, L A Redetermination of the Parameters in Ammonium Bifluoride Journal of the American Chemical Society, 1940, 62, 1533-1536 |
1010391 | CIF | K N3 | I 4/m c m | 6.094; 6.094; 7.056 90; 90; 90 | 262 | Frevel, L K The Configuration of the Azide Ion Journal of the American Chemical Society, 1936, 58, 779-782 |
1010392 | CIF | N3 Na | R -3 m :R | 5.481; 5.481; 5.481 38.72; 38.72; 38.72 | 57.9 | Frevel, L K The Configuration of the Azide Ion Journal of the American Chemical Society, 1936, 58, 779-782 |
1010609 | CIF | As4 O6 | F d -3 m :1 | 11.06; 11.06; 11.06 90; 90; 90 | 1352.9 | Bozorth, R M The crystal structures of the cubic forms of arsenious and antimonous oxide Journal of the American Chemical Society, 1923, 45, 1621-1627 |
1010610 | CIF | I4 Sn | P a -3 | 12.23; 12.23; 12.23 90; 90; 90 | 1829.3 | Dickinson, R G The crystal structure of tin tetraiodide Journal of the American Chemical Society, 1923, 45, 958-962 |
1010623 | CIF | Ag2 Mo O4 | F d -3 m :1 | 9.26; 9.26; 9.26 90; 90; 90 | 794 | Wyckoff, R W G The crystal structure of silver molybdate Journal of the American Chemical Society, 1922, 44, 1994-1997 |
1010624 | CIF | I Na O4 | I 41/a :1 | 5.322; 5.322; 11.93 90; 90; 90 | 337.9 | Kirkpatrick, L M; Dickinson, R G The crystal structure of sodium periodate Journal of the American Chemical Society, 1927, 48, 2327-2334 |
1010626 | CIF | H18 N8 Ni O6 | P a -3 | 10.96; 10.96; 10.96 90; 90; 90 | 1316.5 | Wyckoff, R W G The composition and crystal structure of nickel nitrate hexammoniate Journal of the American Chemical Society, 1922, 44, 1260-1266 |
1010849 | CIF | H4 O7 Pb5 | 5.93; 4.65; 6.36 90; 105.78; 90 | 168.8 | Clark, G L; Tyler, W P On Lead Oxides. II. Hydrous, Normal and Active Lead Monoxides Journal of the American Chemical Society, 1939, 61, 58-65 | |
1010850 | CIF | Cr H24 O20 S2 Tl | 12.238; 12.238; 12.238 90; 90; 90 | 1832.9 | Klug, H P Crystal-Chemical Studies of the Alums. II. The Purple Chrome Alums Journal of the American Chemical Society, 1940, 62, 2992-2993 | |
1010851 | CIF | H32 Mo7 N6 O28 | P 1 21/c 1 | 8.382; 36.125; 10.464 90; 116; 90 | 2847.8 | Sturdivant, J H The Formula of Ammonium Paramolybdate Journal of the American Chemical Society, 1937, 59, 630-631 |
1010854 | CIF | Cl2 H18 N6 Ni | F m -3 | 10.09; 10.09; 10.09 90; 90; 90 | 1027.2 | Wyckoff, R W G The crystal structures of the hexaammoniates of the nickel halides Journal of the American Chemical Society, 1922, 44, 1239-1245 |
1010855 | CIF | Br2 H18 N6 Ni | 10.48; 10.48; 10.48 90; 90; 90 | 1151 | Wyckoff, R W G The crystal structures of the hexaammoniates of the nickel halides Journal of the American Chemical Society, 1922, 44, 1239-1245 | |
1010856 | CIF | H18 I2 N6 Ni | 11.01; 11.01; 11.01 90; 90; 90 | 1334.6 | Wyckoff, R W G The crystal structures of the hexaammoniates of the nickel halides Journal of the American Chemical Society, 1922, 44, 1239-1245 | |
1010914 | CIF | Al2 O3 | R -3 c :R | 5.12; 5.12; 5.12 55.28; 55.28; 55.28 | 84.5 | Pauling, L; Hendricks, S B Crystal Structures of Hematite and Corundum Journal of the American Chemical Society, 1925, 47, 781-790 |
1010928 | CIF | C Ca O3 | R -3 c RS | 6.36; 6.36; 6.36 46.1; 46.1; 46.1 | 121.9 | Elliott, N A Redetermination of the Carbon - Oxygen Distance in Calcite and the Nitrogen - Oxygen Distance in Sodium Nitrate Journal of the American Chemical Society, 1937, 59, 1380-1382 |
1010929 | CIF | Cu Fe S2 | F -4 3 m | 5.228; 5.228; 5.228 90; 90; 90 | 142.9 | Burdick, C L; Ellis, J H The Crystal Structure of Chalcopyrite Determined by X-Rays Journal of the American Chemical Society, 1917, 39, 2519-2525 |
1010977 | CIF | O Pb | P 4/n m m :1 | 3.99; 3.99; 5.01 90; 90; 90 | 79.8 | Dickinson, R G; Friauf, J B The crystal structure of tetragonal lead monoxide Journal of the American Chemical Society, 1924, 46, 2457-2462 |
1010991 | CIF | Cl Cu | F -4 3 m | 5.501; 5.501; 5.501 90; 90; 90 | 166.5 | Wyckoff, R W G; Posnjak, E The Crystal Structures of the Cuprous Halides Journal of the American Chemical Society, 1922, 44, 30-36 |
1010992 | CIF | F6 H8 N2 Si | F m -3 m | 8.38; 8.38; 8.38 90; 90; 90 | 588.5 | Bozorth, R M The Crystal Structure of Ammonium Fluosilicate Journal of the American Chemical Society, 1922, 44, 1066-1070 |
1010993 | CIF | Mo S2 | P 63/m m c | 3.15; 3.15; 12.3 90; 90; 120 | 105.7 | Dickinson, R G; Pauling, L The Crystal Structure of Molybdenite Journal of the American Chemical Society, 1923, 45, 1466-1471 |
1010994 | CIF | O2 Se | P 42/m b c | 8.353; 8.353; 5.051 90; 90; 90 | 352.4 | McCullough, J D The Crystal Structure of Selenium Dioxide Journal of the American Chemical Society, 1937, 59, 789-794 |
1011029 | CIF | N Na O3 | R -3 c :R | 6.32; 6.32; 6.32 47.25; 47.25; 47.25 | 124.5 | Elliott, N A Redetermination of the Carbon - Oxygen Distance in Calcite and the Nitrogen - Oxygen Distance in Sodium Nitrate Journal of the American Chemical Society, 1937, 59, 1380-1382 |
1011030 | CIF | Cr2 Ni O4 | F d -3 m :1 | 8.299; 8.299; 8.299 90; 90; 90 | 571.6 | Thomassen, L An X-Ray Investigation of the System Cr2 O3 - Ni O Journal of the American Chemical Society, 1940, 62, 1134-1136 |
1011031 | CIF | C Si | F -4 3 m | 4.358; 4.358; 4.358 90; 90; 90 | 82.8 | Burdick, C L; Owen, E A The Atomic Structure of Carborundum Determined by X-Rays Journal of the American Chemical Society, 1918, 40, 1749-1759 |
1011065 | CIF | Cl4 Cu H4 K2 O2 | P 42/m n m | 7.45; 7.45; 7.88 90; 90; 90 | 437.4 | Hendricks, S B; Dickinson, R G The Crystal Structure of ammonium, potassium and rubidium cupric chloride dihydrates Journal of the American Chemical Society, 1927, 49, 2149-2162 |
1011075 | CIF | Hg2 I2 | I -4 m 2 | 4.92; 4.92; 11.64 90; 90; 90 | 281.8 | Huggins, M L; Magill, P L The crystal stuctures of mercuric and mercurous iodides Journal of the American Chemical Society, 1927, 49, 2357-2367 |
1011076 | CIF | Cl2 Hg2 | I 4/m m m | 4.47; 4.47; 10.89 90; 90; 90 | 217.6 | Havighurst, R J Parameters in crystal structure. The mercurous halides Journal of the American Chemical Society, 1926, 48, 2113-2130 |
1011077 | CIF | Br2 Hg2 | P 42/m n m | 4.66; 4.66; 11.12 90; 90; 90 | 241.5 | Havighurst, R J Parameters in crystal structure. The mercurouos halides Journal of the American Chemical Society, 1926, 48, 2113-2131 |
1011078 | CIF | Hg2 I2 | P 42/m n m | 4.92; 4.92; 11.61 90; 90; 90 | 281 | Havighurst, R J Parameters in crystal structure. The mercurous halides Journal of the American Chemical Society, 1926, 48, 2113-2125 |
1011079 | CIF | H4 N2 O3 | P n m m :1 | 4.928; 5.438; 5.732 90; 90; 90 | 153.6 | West, C. D. The crystal structure of rhombic ammonium nitrate Journal of the American Chemical Society, 1932, 54, 2256-2260 |
1011129 | CIF | Cl H4 N | P m -3 m | 3.868; 3.868; 3.868 90; 90; 90 | 57.9 | Bartlett, G; Langmuir, I The crystal structure of the ammonium halides above and below the transition temperature Journal of the American Chemical Society, 1921, 43, 84-91 |
1011130 | CIF | Cl H4 N | F m -3 m | 6.533; 6.533; 6.533 90; 90; 90 | 278.8 | Bartlett, G; Langmuir, I The crystal structure of the ammonium halides above and below the transition temperature Journal of the American Chemical Society, 1921, 43, 84-91 |
1011131 | CIF | H4 N2 O3 | P m -3 m | 4.4; 4.4; 4.4 90; 90; 90 | 85.2 | Hendricks, S B; Posnjak, E; Kracek, F C Molecular rotation in the solid state. The variation of the crystal structure of ammonium nitrate with temperature Journal of the American Chemical Society, 1932, 54, 2766-2786 |
1011132 | CIF | H4 N2 O3 | P b n m | 7.06; 7.66; 5.8 90; 90; 90 | 313.7 | Hendricks, S B; Posnjak, E; Kracek, F C Molecular rotation in the solid state. The variation of the crystal structure of ammonium nitrate with temperature Journal of the American Chemical Society, 1932, 54, 2766-2786 |
1011133 | CIF | H4 N2 O3 | P m m n :1 | 5.75; 5.45; 4.96 90; 90; 90 | 155.4 | Hendricks, S B; Posnjak, E; Kracek, F C Molecular rotation in the solid state. The variation of the crystal structure of ammonium nitrate with temperature Journal of the American Chemical Society, 1932, 54, 2766-2786 |
1011134 | CIF | H2 Ni O2 | P -3 m 1 | 3.114; 3.114; 4.617 90; 90; 120 | 38.8 | Cairns, R W; Ott, E X-ray studies of the system nickel-oxygen-water. I. Nickelous oxide and hydroxide Journal of the American Chemical Society, 1933, 55, 527-533 |
1011135 | CIF | B F4 H4 N | P n m a | 9.06; 5.64; 7.23 90; 90; 90 | 369.4 | Hoard, J L; Blair, V The crystal structures of rubidium and ammonium fluoborates Journal of the American Chemical Society, 1935, 57, 1985-1988 |
1011170 | CIF | Mo O4 Pb | I 41/a :1 | 5.47; 5.47; 12.08 90; 90; 90 | 361.4 | Dickinson, R G The crystal structure of wulfenite and scheelite Journal of the American Chemical Society, 1920, 42, 85-93 |
1011171 | CIF | Ca O4 W | I 41/a :1 | 5.62; 5.62; 11.4 90; 90; 90 | 360.1 | Dickinson, R G The crystal structure of wulfenite and scheelite Journal of the American Chemical Society, 1920, 42, 85-93 |
1011218 | CIF | O6 Sb4 | F d -3 m :1 | 11.14; 11.14; 11.14 90; 90; 90 | 1382.5 | Bozorth, R M The crystal structures of the cubic forms of arsenious and antimonous oxides Journal of the American Chemical Society, 1923, 45, 1621-1627 |
1011239 | CIF | Cu I | F -4 3 m | 6.1; 6.1; 6.1 90; 90; 90 | 227 | Wyckoff, R W G; Posnjak, E The crystal structures of the cuprous halides Journal of the American Chemical Society, 1922, 44, 30-36 |
1011240 | CIF | Fe2 O3 | R -3 c :R | 5.43; 5.43; 5.43 55.28; 55.28; 55.28 | 100.8 | Pauling, L; Hendricks, S B The Structure of Hematite Journal of the American Chemical Society, 1925, 47, 781-790 |
1011300 | CIF | Br H4 N | P m -3 m | 3.988; 3.988; 3.988 90; 90; 90 | 63.4 | Bartlett, G; Langmuir, I The crystal structure of the ammonium halides above and below the transition temperature Journal of the American Chemical Society, 1921, 43, 84-91 |
1011352 | CIF | Mn Te2 | P a -3 | 6.943; 6.943; 6.943 90; 90; 90 | 334.7 | Elliott, N The crystal structure of manganese diselenide and manganese ditelluride Journal of the American Chemical Society, 1937, 59, 1958-1962 |
1100027 | CIF | O Sr | F m -3 m | 5.1396; 5.1396; 5.1396 90; 90; 90 | 135.8 | Primak, W; Kaufman, H; Ward, R X-Ray Diffraction Studies of Systems Involved in the Preparation of Alkaline Earth Sulfide and Selenide Phosphors Journal of the American Chemical Society, 1948, 70, 2043-2046 |
1100166 | CIF | C44.75 H32 Ag O2 P2 | C 1 2/c 1 | 17.417; 21.402; 11.298 90; 117.15; 90 | 3747.4 | Norie Momiyama; Hisashi Yamamoto Enantioselective O- and N-Nitroso Aldol Synthesis of Tin Enolates. Isolation of Three BINAP-Silver Complexes and Their Role in Regio- and Enantioselectivity Journal of the American Chemical Society, 2004, 126, 5360-5361 |
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