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\n \u7b54\uff1a\u53ea\u8981\u626b\u63cf\u901f\u5ea6\u4e0d\u592a\u5feb\uff0c\u8fd9\u4e24\u79cd\u65b9\u5f0f\u90fd\u53ef\u4ee5\u7528\u4e8e\u7cbe\u4fee\u7684\u3002<\/p>\n

\u95ee\uff1a\u6211\u73b0\u5728\u6709\u4e2a\u6750\u6599\u6709xrd\u5361\u7247\uff0c\u4f46\u662f\u6ca1\u6709cif\u6587\u4ef6\u3002\u7cbe\u4fee\u6210\u4ec0\u4e48\u6837\u80fd\u628a\u7ed3\u679c\u653e\u5230\u6587\u7ae0\u91cc\uff1f
\n \u7b54\uff1a\u73b0\u5728\u7684PDF\u5361\u7247\u5927\u90e8\u5206\u90fd\u6709\u6807\u51c6\u7684cif\u6587\u4ef6\uff0c\u5efa\u8bae\u5148\u67e5\u67e5\u6700\u65b0\u7248\u7684PDF\u5361\u7247\u3002\u5982\u679c\u8fd8\u67e5\u4e0d\u591a\uff0c\u53ef\u4ee5\u627e\u76f8\u8fd1\u7684\u3002\u53ea\u8981\u7ed3\u6784\u6a21\u578b\u51c6\u786e\uff0c\u5c31\u53ef\u4ee5\u505a\u7cbe\u4fee\uff0c\u76f8\u8fd1\u7684\u4e5f\u53ef\u4ee5\u3002\u53d1\u8868\u8981\u6c42\u4e0d\u540c\u520a\u7269\u4e0d\u4e00\u6837\uff0c\u4e00\u822c\u8981\u6c42Rwp\u8981\u5c0f\u4e8e15%\u3002<\/p>\n

\u95ee\uff1a04\u5f00\u5934\u7684PDF\u5361\u7247\u548c00\u5f00\u5934\u7684PDF\u5361\u7247\u6709\u4ec0\u4e48\u533a\u522b\uff1f
\n \u7b54\uff1a04\u5f00\u5934PDF\u5361\u7247\uff0c\u4ee3\u8868PDF\u5361\u7247\u4e2d\u7684\u7ed3\u6784\u6570\u636e\u6765\u6e90\u4e8e Linus Pauling File \u6570\u636e\u5e93\uff1b00\u5f00\u5934\u7684\u5361\u7247\uff0c\u662fICDD\u7684\u7c89\u672b\u884d\u5c04\u6570\u636e\u300200 \u2013 Experimental Powder Diffraction Entries (ICDD)\uff1b
\n 01 \u2013 International Crystal Structure Database (ICSD, FIZ Karlsruhe, Germany)\uff1b
\n 02 \u2013 Cambridge Structure Database (CSD, CCDC Cambridge, UK)\uff1b
\n 03 \u2013 National Institute of Science & Technology (NIST, Gaithersburg, MD)\uff1b
\n 04 \u2013 Linus Pauling File (LPF, MPDS-Vitznau, Switzerland)\uff1b
\n 05 \u2013 ICDD Crystal Data File \u3002<\/p>\n

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\n \u7b54\uff1a\u6e29\u5ea6\u56e0\u5b50\u662f\u8d1f\u7684\uff0c\u56e0\u7d20\u5f88\u591a\u3002\u53ef\u80fd\u548c\u5360\u4f4d\u7387\u8fc7\u9ad8\uff0c\u6216\u8005\u5143\u7d20\u7c7b\u578b\u4e0d\u5bf9\u7b49\u6709\u5173\u3002\u4e5f\u53ef\u80fd\u548c\u6570\u636e\u8d28\u91cf\u7b49\u6709\u5173\u3002\u5982\u679c\u6392\u9664\u4e86\u4e0a\u8ff0\u56e0\u7d20\uff0c\u53ef\u4ee5\u56fa\u5b9a\u5176\u4e3a\u5408\u7406\u503c\uff0c\u4e0d\u505a\u4fee\u6b63\u3002<\/p>\n

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\n \u7b54\uff1a\u6e29\u5ea6\u56e0\u5b50\u7684\u5e38\u89c1\u8303\u56f4\u57280.5-2\u4e4b\u95f4\uff0c\u8d85\u8fc7100\u5df2\u7ecf\u6ca1\u6709\u610f\u4e49\u4e86\u3002\u8fc7\u5927\u7684\u6e29\u5ea6\u56e0\u5b50\uff0c\u5bfc\u81f4\u539f\u5b50\u5728\u6574\u4e2a\u6676\u80de\u5206\u5e03\uff0c\u4f1a\u4e25\u91cd\u5f71\u54cd\u884d\u5c04\u5f3a\u5ea6\u3002<\/p>\n

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\n \u7b54\uff1a\u53ef\u4ee5\u7684\uff0c\u8981\u6ce8\u610f\u91d1\u5c5e\u8981\u591f\u5927\uff0c\u591f\u5e73\uff0c\u4fdd\u8bc1\u884d\u5c04\u7ebf\uff0c\u5728\u4efb\u4f55\u89d2\u5ea6\uff0c\u90fd\u6253\u5230\u91d1\u5c5e\u5e73\u9762\u4e0a\u3002<\/p>\n

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\n \u7b54\uff1a\u7cbe\u4fee\u4e0d\u6536\u655b\u7684\u95ee\u9898\uff0c\u6bd4\u8f83\u5bbd\u6cdb\u3002\u5982\u679c\u7cbe\u4fee\u67d0\u4e2a\u539f\u5b50\u4f4d\u7f6e\u5bfc\u81f4\u53d1\u6563\uff0c\u53ef\u5c06\u8be5\u539f\u5b50\u4f4d\u7f6e\u653e\u5230\u6700\u540e\u7cbe\u4fee\uff0c\u5e76\u6ce8\u610f\u4e0b\u521d\u7ed3\u6784\u7684\u6b63\u786e\u6027\u3002<\/p>\n

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\n \u7b54\uff1a\u666e\u901a\u884d\u5c04\u4eea\uff0c\u5f3a\u5ea6\u5728\u4e00\u4e24\u4e07\u5de6\u53f3\u901a\u5e38\u5c31\u53ef\u4ee5\u505a\u7cbe\u4fee\u7684\u3002<\/p>\n

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\n \u7b54\uff1a\u5757\u4f53\u548c\u7c89\u672b\u662f\u5927\u81f4\u4e00\u6837\u7684\uff0c\u53ea\u662f\u6837\u54c1\u7684\u6676\u7c92\u5927\u5c0f\u548c\u53d6\u5411\uff0c\u4e0d\u80fd\u901a\u8fc7\u7814\u78e8\u53d6\u6d88\u4e86\u3002<\/p>\n","protected":false},"excerpt":{"rendered":"

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