{"id":163614,"date":"2019-01-03T06:30:09","date_gmt":"2019-01-02T22:30:09","guid":{"rendered":"\/\/m.iemloyee.com\/?p=163614"},"modified":"2019-01-04T10:48:00","modified_gmt":"2019-01-04T02:48:00","slug":"%e6%8a%80%e6%9c%af%e4%b8%93%e6%a0%8f%ef%bc%9a%e4%b8%80%e7%af%87%e6%96%87%e7%ab%a0%e6%90%9e%e6%87%82%e6%99%b6%e4%bd%93%e5%ad%a6%e4%bf%a1%e6%81%af%e6%96%87%e4%bb%b6cif%e5%8f%8a%e5%85%b6%e8%8e%b7","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=163614","title":{"rendered":"\u6280\u672f\u4e13\u680f\uff1a\u4e00\u7bc7\u6587\u7ae0\u641e\u61c2\u6676\u4f53\u5b66\u4fe1\u606f\u6587\u4ef6CIF\u53ca\u5176\u83b7\u53d6\u65b9\u6cd5"},"content":{"rendered":"<p><strong>\u3010\u5f15\u8bed\u3011\u6750\u6599\u4eba\u73b0\u5728\u8bbe\u7acb\u5404\u79cd\u6587\u7ae0\u4e13\u680f\uff0c\u6240\u6d89\u53ca\u9886\u57df\u6b63\u5728\u6162\u6162\u5b8c\u5584\uff0c\u7531\u6b64\u4e5f\u9700\u8981\u66f4\u591a\u7684\u4e13\u680f\u4f5c\u8005\uff0c\u6ca1\u9519\uff0c\u6211\u4eec\u6b63\u5728\u62db\u5175\u4e70\u9a6c\uff0c\u671f\u5f85\u4f60\u4eec\u7684\u52a0\u5165\uff0c\u6709\u610f\u5411\u7684\u5c0f\u4f19\u4f34\u53ef\u76f4\u63a5\u8054\u7cfbcailiaorenVIP\u3002\u4e0d\u8981\u518d\u72b9\u8c6b\uff0c\u4e0b\u4e00\u4e2a\u4e13\u680f\u521b\u59cb\u4eba\u5c31\u662f\u4f60\u3002\u8bf7\u8bb0\u4f4f\uff1a\u7eb5\u7136\u4f60\u79bb\u6211\u5343\u91cc\u4e07\u91cc\uff0c\u6211\u90fd\u5728\u6750\u6599\u4eba\u7b49\u4f60\uff01<\/strong><\/p>\n<p><strong><b>1 <\/b><\/strong><strong><b>\u4ec0\u4e48\u662fCIF\u6587\u4ef6<\/b><\/strong><\/p>\n<p>\u6676\u4f53\u5b66\u4fe1\u606f\u6587\u4ef6(Crystallographic Information File, CIF)\u662f\u4ee5\u201c.cif\u201d\u7ed3\u5c3e\u7684\u8ba1\u7b97\u673a\u6587\u4ef6\uff08\u5982\u56fe1\uff09\uff0c\u5b83\u5305\u542b\u4e86\u6bcf\u4e2a\u6676\u4f53\u7684\u8be6\u7ec6\u4fe1\u606f\uff0c\u5982\u6676\u80de\u53c2\u6570\u3001\u539f\u5b50\u5750\u6807\u3001\u6587\u732e\u8d44\u6599\u7b49\u3002\u5b83\u662f\u8fdb\u884c\u6676\u4f53\u7ed3\u6784\u63cf\u8ff0\uff0c\u89e3\u6790\uff0c\u4f20\u64ad\u548c\u8868\u8fbe\u65f6\u6700\u5e38\u4f7f\u7528\u7684\u6587\u4ef6\u683c\u5f0f\uff0c\u5e7f\u6cdb\u5e94\u7528\u4e8e\u6676\u4f53\u7ed3\u6784\u7ed8\u56fe\uff0cXRD\u7cbe\u4fee\u4ee5\u53ca\u6750\u6599\u7406\u8bba\u8ba1\u7b97\u7b49\u5404\u4e2a\u65b9\u9762\uff0c\u5728\u6750\u6599\u79d1\u5b66\u4e2d\u5177\u6709\u7740\u91cd\u8981\u7684\u4f5c\u7528\uff08\u5982\u56fe1\uff09\u3002\u5404\u79cd\u6676\u4f53\/\u6750\u6599\/\u8ba1\u7b97\u5904\u7406\u8f6f\u4ef6\uff0c\u5982Vesta\uff0cDiamond\uff0cGSAS\uff0cMercury\uff0cRasmal\uff0cMaterials\u00a0Studio\uff0c\u90fd\u4ee5\u6676\u4f53\u4fe1\u606f\u6587\u4ef6\u4f5c\u4e3a\u8f93\u5165\u6216\u8005\u8f93\u51fa\u7ed3\u679c\u3002\u56e0\u6b64\u8ba4\u8bc6\u548c\u83b7\u53d6CIF\u6587\u4ef6\u5c31\u663e\u5f97\u6781\u4e3a\u91cd\u8981\u3002<\/p>\n<p>\u56fe1\u00a0CIF\u6587\u4ef6\u793a\u4f8b\u53ca\u5176\u4f5c\u7528<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-163628 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724711.png\" alt=\"\" width=\"600\" height=\"490\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724711.png 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724711-300x245.png 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p><strong><b>2<\/b><\/strong><strong><b>\u00a0<\/b><\/strong><strong><b>CIF\u6587\u4ef6\u5185\u5bb9\u89e3\u6790<\/b><\/strong><\/p>\n<p>CIF\u6587\u4ef6\u7684\u8bfb\u53d6\u9700\u8981\u7528\u5230\u4e0a\u9762\u6240\u8ff0\u7684\u6676\u4f53\/\u6750\u6599\u5b66\u4e13\u95e8\u7684\u8f6f\u4ef6\uff0c\u4e0d\u8fc7\u6211\u4eec\u4e5f\u53ef\u4ee5\u7528Windows\u81ea\u5e26\u7684\u8bb0\u4e8b\u672c\u548c\u5199\u5b57\u677f\u6253\u5f00\uff0c\u5982\u56fe2\u6240\u793a\u3002<\/p>\n<p>\u56fe2 \u7528Windows\u81ea\u5e26\u7684\u5199\u5b57\u677f\u67e5\u770bCIF\u6587\u4ef6<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-163629 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724712.png\" alt=\"\" width=\"600\" height=\"436\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724712.png 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724712-300x218.png 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p>CIF\u6587\u4ef6\u5305\u542b\u7684\u5185\u5bb9\u53ef\u4ee5\u5206\u4e3a\u5982\u4e0b\u51e0\u4e2a\u90e8\u5206\uff0c\u4e0b\u9762\u6211\u4eec\u5c31\u4ee5NaCl\u7684CIF\u6587\u4ef6\u4e3a\u4f8b\uff1a<\/p>\n<p>\uff081\uff09\u6b64CIF\u6587\u4ef6\u7684\u4e0b\u8f7d\u6765\u6e90\uff0c\u7f16\u8f91\u548c\u4f7f\u7528\u4fe1\u606f\uff0c\u89c1\u56fe3\u3002\u6b64\u90e8\u5206\u4fe1\u606f\u7528\u5904\u4e0d\u5927\u3002<\/p>\n<p>\u56fe3\u00a0CIF\u7684\u6587\u4ef6\u5185\u5bb91<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-163630 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724713.png\" alt=\"\" width=\"380\" height=\"271\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724713.png 380w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724713-300x214.png 300w\" sizes=\"(max-width: 380px) 100vw, 380px\" \/><\/p>\n<p>\uff082\uff09\u8be5CIF\u6587\u4ef6\u7684\u6570\u636e\u7f16\u53f7\u4ee5\u53caCIF\u6587\u4ef6\u6765\u81ea\u4e8e\u54ea\u4e2a\u6587\u732e\uff0c\u5305\u62ec\u4f5c\u8005\u540d\u79f0\uff0c\u9898\u76ee\uff0c\u6742\u5fd7\u540d\u79f0\uff0c\u9875\u7801\uff0cDOI\u7b49\u4fe1\u606f\uff0c\u89c1\u56fe4\u3002\u8fd9\u4e2a\u65b9\u4fbf\u6211\u4eec\u5728\u4f7f\u7528\u7684\u65f6\u5019\u8fdb\u884c\u5f15\u7528\u3002<\/p>\n<p>\u56fe4 CIF\u7684\u6587\u4ef6\u5185\u5bb92<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-163631 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724714.png\" alt=\"\" width=\"380\" height=\"295\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724714.png 380w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724714-300x233.png 300w\" sizes=\"(max-width: 380px) 100vw, 380px\" \/><\/p>\n<p>\uff083\uff09\u8be5\u90e8\u5206\u4e3b\u8981\u4e3a\u6676\u4f53\u7684\u7ed3\u6784\u4fe1\u606f\uff0c\u5305\u62ec\u7ed3\u6784\u5f0f\uff0c\u5404\u4e2a\u539f\u5b50\u53ca\u5176\u6570\u91cf\uff0c\u7a7a\u95f4\u7fa4\u7f16\u7801\uff0c\u6676\u7cfb\uff08cubic\uff09\uff0c\u7a7a\u95f4\u7fa4\uff08Fm-3m\uff09\uff0c\u6676\u80de\u5939\u89d2\uff08alpha, beta, gamma\uff09\uff0c\u6676\u80de\u5305\u542b\u7684\u5206\u5b50\u6570Z\uff0c\u6676\u80de\u5c3a\u5bf8\uff08a, b, c\uff09\uff0c\u6676\u80de\u4f53\u79ef\uff08volume\uff09\u7b49\u4fe1\u606f\u3002<\/p>\n<p>\u56fe5\u00a0CIF\u7684\u6587\u4ef6\u5185\u5bb93<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-163632 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724715.png\" alt=\"\" width=\"380\" height=\"309\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724715.png 380w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724715-300x244.png 300w\" sizes=\"(max-width: 380px) 100vw, 380px\" \/><\/p>\n<p>\uff084\uff09\u5982\u56fe6\u6240\u793a\uff0c\u5e76\u6ca1\u6709\u622a\u56fe\u5b8c\u5168\uff0c\u8fd9\u90e8\u5206\u7684\u4fe1\u606f\u901a\u5e38\u5f88\u957f\uff0c\u4e0d\u7528\u7ba1\u5b83\uff0c\u5b83\u4e3b\u8981\u63cf\u8ff0\u7684\u662f\u6676\u4f53\u4e2d\u7684\u5bf9\u79f0\u4f4d\u7f6e\u53ca\u5176\u5750\u6807\u4fe1\u606f\u3002<\/p>\n<p>\u56fe6 CIF\u7684\u6587\u4ef6\u5185\u5bb94<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-163633 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724716.png\" alt=\"\" width=\"380\" height=\"249\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724716.png 380w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724716-300x197.png 300w\" sizes=\"(max-width: 380px) 100vw, 380px\" \/><\/p>\n<p>\uff085\uff09\u5982\u56fe7\u6240\u793a\uff0c\u8fd9\u90e8\u5206\u4e3b\u8981\u63cf\u8ff0\u5404\u4e2a\u539f\u5b50\u7684\u53c2\u6570\u4fe1\u606f\uff0c\u5176\u4e2d\u7b2c1\u90e8\u5206\u7684\u63cf\u8ff0\u5206\u522b\u7ad6\u6392\u5bf9\u5e94\u7b2c2\u90e8\u5206\u7684\u4fe1\u606f\uff0c\u4f9d\u6b21\u4e3a\uff1a\u6807\u7b7e\uff0c\u7b26\u53f7\uff0c\u591a\u91cd\u6027\uff0cWykoff\u6807\u8bb0\uff0c\u539f\u5b50\u5750\u6807\uff08x, y, z\uff09\uff0c\u5360\u4f4d\u5ea6\uff0c\u5438\u9644\u7684\u6c22\u548c\u539f\u5b50\u4f4d\u7f6e\u8ba1\u7b97\u6807\u8bb0\u3002<\/p>\n<p>\u56fe7 CIF\u7684\u6587\u4ef6\u5185\u5bb95<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-163634 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724717.png\" alt=\"\" width=\"380\" height=\"239\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724717.png 380w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724717-300x189.png 300w\" sizes=\"(max-width: 380px) 100vw, 380px\" \/><\/p>\n<p>\u00a0\u00a0\u00a0\u00a0\uff086\uff09\u6700\u540e\u4e00\u90e8\u5206\u63cf\u8ff0\u4e86\u539f\u5b50\u7684\u7c7b\u578b\u53ca\u5176\u4ef7\u6001\uff0c\u5982\u56fe8\u6240\u793a\u3002<\/p>\n<p>\u56fe8 CIF\u7684\u6587\u4ef6\u5185\u5bb96<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-163635 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724718.png\" alt=\"\" width=\"380\" height=\"101\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724718.png 380w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724718-300x80.png 300w\" sizes=\"(max-width: 380px) 100vw, 380px\" \/><\/p>\n<p><strong><b>3<\/b><\/strong><strong><b>\u00a0<\/b><\/strong><strong><b>CIF\u6587\u4ef6\u7684\u83b7\u53d6<\/b><\/strong><\/p>\n<p>CIF\u6587\u4ef6\u7684\u83b7\u53d6\u662f\u6700\u57fa\u7840\u4e5f\u662f\u6700\u91cd\u8981\u7684\u4e00\u6b65\uff0c\u8fd9\u4e2a\u95ee\u9898\u4e5f\u662f\u65b0\u4eba\u6700\u5e38\u95ee\u5230\u7684\uff0c\u4e0b\u9762\u6211\u5c31\u5c06\u4e00\u4e9b\u5e38\u89c1\u7684\u83b7\u53d6\u65b9\u6cd5\u4ecb\u7ecd\u7ed9\u5927\u5bb6\u3002<\/p>\n<p>\uff081\uff09COD\u6570\u636e\u5e93\uff1ahttp:\/\/www.crystallography.net\/cod\/index.php<\/p>\n<p>Crystallography Open Database\uff0c\u6676\u4f53\u5b66\u5f00\u653e\u6570\u636e\u5e93\u662f\u4e00\u4e2a\u5b8c\u5168\u514d\u8d39\uff0c\u5f00\u653e\u7684\u6570\u636e\u5e93\uff0c\u8fd9\u4e5f\u662f\u6211\u4e3a\u4ec0\u4e48\u5c06\u5176\u6392\u5728\u9996\u4f4d\u7684\u539f\u56e0\u3002\u70b9\u51fb\u5de6\u4fa7\u4fa7\u8fb9\u680f\u7684Search\u5373\u53ef\u6253\u5f00\u641c\u7d22\u754c\u9762\u3002\u4ee5NaCl\u4e3a\u4f8b\uff0c\u5982\u56fe10\u6240\u793a\uff0c\u8f93\u5165\u5143\u7d20\u7b26\u53f7\u4ee5\u53ca\u539f\u5b50\u6570\u91cf\u9650\u5236\u5373\u53ef\u641c\u7d22\u51fa\u5982\u56fe11\u6240\u793a\u7684\u7ed3\u679c\u3002\u7136\u540e\uff0c\u70b9\u51fbLinks\u680f\u76ee\u4e0b\u7684\u84dd\u8272\u7684CIF\u6587\u5b57\u5373\u53ef\u4e0b\u8f7d\uff08\u89c1\u56fe11\uff09\u3002<\/p>\n<p>\u56fe9\u00a0COD\u7f51\u7ad9\u7684\u4e3b\u9875<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-163637 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724719.png\" alt=\"\" width=\"532\" height=\"239\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724719.png 532w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724719-300x135.png 300w\" sizes=\"(max-width: 532px) 100vw, 532px\" \/><\/p>\n<p>\u56fe10 COD\u7684\u641c\u7d22\u754c\u9762<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-163638 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724720.png\" alt=\"\" width=\"380\" height=\"321\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724720.png 380w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724720-300x253.png 300w\" sizes=\"(max-width: 380px) 100vw, 380px\" \/><\/p>\n<p>\u56fe11 NaCl\u7684\u641c\u7d22\u7ed3\u679c\u53ca\u4e0b\u8f7d\u94fe\u63a5\uff08\u7ea2\u5708\uff09<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-163639 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724721.png\" alt=\"\" width=\"532\" height=\"237\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724721.png 532w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724721-300x134.png 300w\" sizes=\"(max-width: 532px) 100vw, 532px\" \/><\/p>\n<p>\uff082\uff09Findit\u8f6f\u4ef6<\/p>\n<p>Findit\u662f\u65e0\u673a\u6676\u4f53\u7ed3\u6784\u6570\u636e\u67e5\u8be2\u8f6f\u4ef6\u3002\u4f7f\u7528\u8be5\u8f6f\u4ef6\u4e5f\u53ef\u4ee5\u65b9\u4fbf\u5feb\u901f\u7684\u67e5\u627e\u5230\u6240\u9700\u7269\u8d28\u7684CIF\u6587\u4ef6\u3002\u5982\u56fe12\uff0c\u5b83\u5c31\u662fFindit\u8f6f\u4ef6\u7684\u4e3b\u754c\u9762\u3002\u4ee5\u67e5\u627eNaCl\u7684CIF\u4e3a\u4f8b\uff0c\u5982\u56fe13\u6240\u793a\uff0c\u9996\u5148\u9009\u62e9Type\u4e3aExclusive\u00a0And\uff08\u6709\u4e14\u53ea\u6709\uff09\uff0c\u7136\u540e\u9009\u62e9Na\u548cCl\u5143\u7d20\uff0c\u7136\u540e\u70b9\u51fbSearch\u6309\u94ae\uff0c\u5c31\u53ef\u4ee5\u5f97\u5230\u5982\u56fe14\u6240\u793a\u7684\u641c\u7d22\u7ed3\u679c\u3002\u968f\u540e\uff0c\u52fe\u9009\u9700\u8981\u7684\u6761\u76ee\uff0c\u7136\u540e\u53e6\u5b58\u4e3aCIF\u6587\u4ef6\u5373\u53ef\uff0c\u89c1\u56fe15\u3002<\/p>\n<p>\u8be5\u8f6f\u4ef6\u9700\u8981\u8d2d\u4e70\u6216\u81ea\u884c\u67e5\u627e\u8d44\u6e90\u3002<\/p>\n<p>\u56fe12 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\/><\/p>\n<p>\uff083\uff09ICSD\uff1ahttps:\/\/icsd.fiz-karlsruhe.de\/index.xhtml<\/p>\n<p>\u65e0\u673a\u6676\u4f53\u7ed3\u6784\u6570\u636e\u5e93\uff08The Inorganic Crystal Structure Database\uff0cICSD\uff09\u7531\u5fb7\u56fd\u7684The Gmelin Institute (Frankfurt)\u548cFIZ\uff08Fachinformationszentrum 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of Crystallography\uff09\uff0chttps:\/\/www.iucr.org\/<\/p>\n<p>\u56fe19 IUcr\u4e3b\u9875<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-163651 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724729.png\" alt=\"\" width=\"600\" height=\"269\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724729.png 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724729-300x135.png 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" 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