#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 14:01:09 +0300 (Thu, 26 Apr 2018) $ #$Revision: 603 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000142.rod $ #------------------------------------------------------------------------------ # # This file is available in the Raman Open Database (ROD), # http://solsa.crystallography.net/rod/ # # All data on this site have been placed in the public domain by the # contributors. # data_1000142 loop_ _publ_author_name 'Sakai, S.' 'Yoshiasa, A.' 'Sugiyama, K.' 'Miyawaki, R.' _publ_section_title ; Crystal structure and chemistry of conichalcite, CaCu(AsO4)(OH) ; _journal_name_full 'Journal of Mineralogical and Petrological Sciences' _journal_page_first 125 _journal_page_last 131 _journal_paper_doi 10.2465/jmps.080430 _journal_volume 104 _journal_year 2009 _chemical_compound_source 'Higgins mine, Arizona, USA' _chemical_formula_sum 'As Ca Cu0.96 H Mg0.04 O5' _chemical_name_mineral Conichalcite _space_group_IT_number 19 _symmetry_space_group_name_Hall 'P 2ac 2ab' _symmetry_space_group_name_H-M 'P 21 21 21' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 7.3849 _cell_length_b 5.8379 _cell_length_c 9.1937 _cell_volume 396.362 _exptl_crystal_density_diffrn 4.323 _cod_original_formula_sum 'Ca (Cu.96 Mg.04) As O5 H' _cod_database_code 9014848 _raman_determination_method experimental _raman_measurement_device.location 'Arizona University' _raman_measurement_device.company 'Thermo Scientific' _raman_measurement_device.model 'Nicolet Almega XR' _raman_measurement_device.optics_type microscope _raman_measurement_device.microscope_system dispersive _raman_measurement_device.microscope_objective_magnification 50 _raman_measurement_device.microscope_numerical_aperture 0.5 _raman_measurement_device.excitation_laser_type helium-neon _raman_measurement_device.excitation_laser_wavelength 780 _raman_measurement_device.configuration simple _raman_measurement_device.resolution 4 _raman_measurement_device.power_on_sample 12 _raman_measurement_device.direction_polarization unoriented _raman_measurement_device.spot_size 1 _raman_measurement_device.diffraction_grating 400 _raman_measurement.environment Air _raman_measurement.environment_details ; The sample was measured in air. ; _raman_measurement.temperature 300 _raman_measurement.pressure 100 _raman_measurement.background_subtraction no _raman_measurement.background_subtraction_details ; No background subtraction method was applied. ; _raman_measurement.baseline_correction no _raman_measurement.baseline_correction_details ; No baseline correction method was applied. ; _raman_measurement.integration_time 10 _rod_data_source.file R120017.rod _rod_data_source.block 3500000 _rod_database.code 1000142 loop_ _raman_complementary.id _raman_complementary.method 1 XRD loop_ _raman_measurement_device_calibration.id _raman_measurement_device_calibration.standard 1 neon_lamp loop_ _rod_related_entry.id _rod_related_entry.code _rod_related_entry.database _rod_related_entry.uri _rod_related_entry.description 1 9014848 COD http://www.crystallography.net/cod/9014848.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 94.01410 0.0000000E+00 94.49622 2.698425 94.97833 3.938507 95.46045 4.718964 95.94257 4.782135 96.42468 5.515747 96.90680 7.539612 97.38892 9.636444 97.87103 10.85873 98.35315 11.79535 98.83527 10.70264 99.31738 8.261353 99.79950 4.895172 100.2816 2.273987 100.7637 1.209808 101.2458 0.8881840 101.7280 0.5013730 102.2101 0.2496190 102.6922 0.8077550 103.1743 0.2513280 103.6564 1.225311 104.1385 3.565872 104.6207 7.185349 105.1028 11.73076 105.5849 16.16629 106.0670 20.35428 106.5491 23.98787 107.0313 26.75578 107.5134 28.52422 107.9955 29.88773 108.4776 31.40965 108.9597 33.11465 109.4418 34.80875 109.9240 35.72044 110.4061 36.93524 110.8882 39.48514 111.3703 43.82129 111.8524 49.31422 112.3345 54.32961 112.8167 58.25743 113.2988 62.95602 113.7809 69.41245 114.2630 76.93683 114.7451 84.07596 115.2272 89.59349 115.7094 93.64996 116.1915 98.20877 116.6736 104.3737 117.1557 110.3977 117.6378 115.4699 118.1199 119.1041 118.6021 122.4577 119.0842 126.2719 119.5663 130.5096 120.0484 134.4174 120.5305 137.8671 121.0126 141.1375 121.4948 144.7369 121.9769 148.7472 122.4590 152.1738 122.9411 154.5546 123.4232 155.8872 123.9053 154.8972 124.3875 150.6098 124.8696 143.5516 125.3517 135.1791 125.8338 125.1194 126.3159 114.4804 126.7980 104.0202 127.2802 93.71295 127.7623 83.55681 128.2444 73.24812 128.7265 62.72505 129.2086 53.21118 129.6907 45.11043 130.1729 37.86641 130.6550 31.36995 131.1371 25.58226 131.6192 20.49239 132.1013 16.20853 132.5834 13.11336 133.0656 10.04593 133.5477 6.359833 134.0298 3.004517 134.5119 0.8026890 134.9940 2.4260001E-03 135.4761 0.1324160 135.9583 0.2142030 136.4404 0.1628270 136.9225 0.1630100 137.4046 0.3324890 137.8867 0.5537110 138.3688 0.6996310 138.8510 0.7344970 139.3331 0.6022030 139.8152 7.2127998E-02 140.2973 1.274597 140.7794 2.356567 141.2615 2.589813 141.7437 2.116257 142.2258 1.598373 142.7079 1.459686 143.1900 1.432480 143.6721 0.9780580 144.1542 0.1036380 144.6364 1.400696 145.1185 2.462646 145.6006 3.224045 146.0827 4.150070 146.5648 5.965805 147.0469 7.928284 147.5291 9.179291 148.0112 9.214188 148.4933 8.581833 148.9754 8.475418 149.4575 8.962433 149.9396 9.954773 150.4218 11.56357 150.9039 13.52168 151.3860 15.52821 151.8681 18.08142 152.3502 20.51233 152.8323 22.35817 153.3145 22.56152 153.7966 23.18843 154.2787 24.83232 154.7608 27.23132 155.2429 29.83647 155.7250 32.26120 156.2072 34.50131 156.6893 36.45967 157.1714 37.77954 157.6535 39.20453 158.1356 41.20784 158.6177 43.69073 159.0999 46.10338 159.5820 47.87689 160.0641 48.85522 160.5462 50.24554 161.0283 52.69720 161.5104 55.21022 161.9926 57.24218 162.4747 58.70723 162.9568 59.29849 163.4389 58.24350 163.9210 55.64597 164.4031 53.55493 164.8853 52.86075 165.3674 52.71324 165.8495 51.93085 166.3316 50.31361 166.8137 48.09952 167.2958 45.19685 167.7780 41.79706 168.2601 38.68237 168.7422 36.33780 169.2243 34.60538 169.7064 32.88574 170.1885 30.93918 170.6707 29.26820 171.1528 28.13173 171.6349 27.49432 172.1170 27.16956 172.5991 27.10342 173.0812 27.31090 173.5634 27.46341 174.0455 27.35545 174.5276 27.34716 175.0097 27.63297 175.4918 28.18733 175.9739 28.84197 176.4561 29.42264 176.9382 29.91528 177.4203 30.40294 177.9024 30.80508 178.3845 31.27047 178.8666 31.90864 179.3488 32.70117 179.8309 33.51761 180.3130 34.21709 180.7951 34.72395 181.2772 35.29309 181.7593 35.98386 182.2415 36.68979 182.7236 37.37152 183.2057 38.01764 183.6878 38.61445 184.1699 39.09118 184.6520 39.15802 185.1342 39.38914 185.6163 40.13911 186.0984 40.97212 186.5805 41.37971 187.0626 41.20938 187.5447 40.72121 188.0269 40.17368 188.5090 39.27772 188.9911 39.03770 189.4732 40.41971 189.9553 42.56778 190.4374 43.82990 190.9196 43.55113 191.4017 42.68105 191.8838 42.55155 192.3659 43.12052 192.8480 43.90750 193.3301 44.82388 193.8123 45.84993 194.2944 46.95575 194.7765 48.21341 195.2586 49.48219 195.7407 50.56221 196.2228 51.44279 196.7050 52.39296 197.1871 53.70234 197.6692 55.32745 198.1513 56.67783 198.6334 57.51334 199.1155 58.23424 199.5977 59.01326 200.0798 59.88947 200.5619 61.00794 201.0440 62.71476 201.5261 65.20959 202.0082 67.30353 202.4904 68.31030 202.9725 69.19286 203.4546 70.61314 203.9367 72.57210 204.4188 74.41104 204.9009 75.26007 205.3831 74.84462 205.8652 74.17386 206.3473 73.39915 206.8294 72.32941 207.3115 70.76539 207.7936 68.72498 208.2758 66.44539 208.7579 64.29298 209.2400 62.49471 209.7221 60.26662 210.2042 57.17816 210.6863 54.04431 211.1685 51.44183 211.6506 49.46732 212.1327 47.77698 212.6148 45.86926 213.0969 43.72440 213.5790 41.37882 214.0612 38.33196 214.5433 35.40123 215.0254 33.29716 215.5075 32.17726 215.9896 31.52554 216.4717 30.64719 216.9539 29.42667 217.4360 28.20985 217.9181 27.00006 218.4002 25.79519 218.8823 24.63294 219.3644 23.52730 219.8466 22.32172 220.3287 20.68502 220.8108 18.44437 221.2929 16.72321 221.7750 16.08557 222.2571 15.88997 222.7393 15.26574 223.2214 13.97869 223.7035 12.59932 224.1856 12.06001 224.6677 12.29668 225.1498 12.05358 225.6320 10.45753 226.1141 8.317299 226.5962 7.038734 227.0783 7.008743 227.5604 7.365211 228.0425 7.334274 228.5247 6.985832 229.0068 6.498505 229.4889 5.870789 229.9710 5.163750 230.4531 4.503471 230.9352 3.908920 231.4174 3.359787 231.8995 2.848465 232.3816 2.368004 232.8637 1.904449 233.3458 1.464241 233.8279 1.037964 234.3101 0.5533520 234.7922 0.1032710 235.2743 0.6064990 235.7564 0.8260650 236.2385 0.7873540 236.7206 0.5096050 237.2028 0.1796420 237.6849 1.109276 238.1670 1.534538 238.6491 1.175186 239.1312 0.6923140 239.6133 0.4770810 240.0955 0.3349690 240.5776 0.1357420 241.0597 1.363182 241.5418 3.057426 242.0239 3.720360 242.5060 2.496368 242.9882 1.359383 243.4703 0.8281330 243.9524 0.7552950 244.4345 0.9705200 244.9166 1.448868 245.3987 2.057365 245.8809 2.120918 246.3630 0.9917140 246.8451 0.1379700 247.3272 0.1082000 247.8093 6.6742003E-02 248.2914 0.4887700 248.7736 1.092346 249.2557 1.761269 249.7378 2.011543 250.2199 1.498680 250.7020 0.9532930 251.1841 0.3284230 251.6663 0.2287060 252.1484 0.5052950 252.6305 0.3952560 253.1126 4.0679999E-02 253.5947 0.1142200 254.0768 4.5311000E-02 254.5590 0.2985840 255.0411 0.6924360 255.5232 1.148132 256.0053 1.564133 256.4874 1.897301 256.9695 2.218704 257.4517 2.699921 257.9338 3.810249 258.4159 4.501167 258.8980 4.256477 259.3801 3.809586 259.8622 4.012932 260.3444 5.150101 260.8265 6.742867 261.3086 7.898605 261.7907 8.425369 262.2728 8.754913 262.7549 8.513947 263.2371 8.262665 263.7192 8.645493 264.2013 9.820419 264.6834 11.32449 265.1655 12.47481 265.6476 13.06963 266.1298 13.76411 266.6119 14.56989 267.0940 15.48441 267.5761 16.53529 268.0582 17.72647 268.5403 18.95346 269.0225 20.06857 269.5046 21.00772 269.9867 22.19557 270.4688 24.12971 270.9509 26.00963 271.4330 27.01377 271.9152 27.07901 272.3973 26.96449 272.8794 27.46909 273.3615 28.63974 273.8436 29.17206 274.3257 28.41620 274.8079 27.46111 275.2900 27.24828 275.7721 27.78750 276.2542 28.38972 276.7363 28.63178 277.2184 28.45657 277.7006 27.92627 278.1827 26.64378 278.6648 25.32366 279.1469 24.50709 279.6290 24.15450 280.1111 23.84208 280.5933 23.31061 281.0754 22.62887 281.5575 22.06013 282.0396 21.70232 282.5217 21.34975 283.0038 20.87929 283.4860 20.29672 283.9681 19.63631 284.4502 18.86085 284.9323 18.07908 285.4144 17.51910 285.8965 17.29439 286.3787 17.00357 286.8608 16.35135 287.3429 15.43427 287.8250 14.58174 288.3071 13.87341 288.7892 13.32364 289.2714 13.05967 289.7535 13.16404 290.2356 12.93449 290.7177 11.61833 291.1998 9.703697 291.6819 8.552979 292.1641 8.668953 292.6462 9.210045 293.1283 9.277290 293.6104 8.938202 294.0925 8.547058 294.5746 8.162254 295.0568 7.857292 295.5389 7.723686 296.0210 7.776886 296.5031 7.985809 296.9852 8.287560 297.4673 8.709671 297.9495 9.411896 298.4316 10.75948 298.9137 12.23225 299.3958 12.94674 299.8779 12.79353 300.3600 12.81186 300.8422 13.54408 301.3243 14.82967 301.8064 16.55836 302.2885 19.16557 302.7706 21.75289 303.2527 22.89459 303.7349 22.47233 304.2170 22.91962 304.6991 25.86335 305.1812 30.06673 305.6633 33.91564 306.1454 37.18704 306.6276 40.09995 307.1097 42.65449 307.5918 44.89908 308.0739 47.50903 308.5560 50.80952 309.0381 54.45195 309.5203 57.91557 310.0024 61.15335 310.4845 64.61948 310.9666 68.85380 311.4487 73.65810 311.9308 77.95320 312.4130 81.18100 312.8951 84.31956 313.3772 88.09882 313.8593 92.49482 314.3414 97.37720 314.8235 102.8286 315.3057 108.7184 315.7878 114.8510 316.2699 121.2899 316.7520 127.7068 317.2341 133.6986 317.7162 139.4519 318.1984 145.4387 318.6805 151.8616 319.1626 158.5674 319.6447 165.5474 320.1268 172.9815 320.6089 179.7791 321.0911 184.9896 321.5732 189.2783 322.0553 193.5766 322.5374 198.4898 323.0195 202.8112 323.5016 205.2698 323.9838 205.8781 324.4659 205.3646 324.9480 203.7524 325.4301 201.2152 325.9122 198.0949 326.3943 194.3785 326.8765 190.0891 327.3586 185.1391 327.8407 179.5712 328.3228 173.6916 328.8049 167.4184 329.2870 161.0578 329.7692 154.8606 330.2513 148.8418 330.7334 143.1209 331.2155 137.9710 331.6976 133.1877 332.1797 128.0900 332.6619 122.3397 333.1440 116.9067 333.6261 112.8626 334.1082 109.7764 334.5903 106.7062 335.0724 103.6092 335.5546 100.2704 336.0367 96.23753 336.5188 91.44791 337.0009 86.84763 337.4830 82.96323 337.9651 79.68005 338.4473 76.79386 338.9294 74.47515 339.4115 72.12798 339.8936 69.09351 340.3757 65.51640 340.8578 62.58566 341.3400 61.11592 341.8221 60.12695 342.3042 57.97165 342.7863 54.41597 343.2684 51.18033 343.7505 49.23483 344.2327 48.12114 344.7148 46.87769 345.1969 45.32817 345.6790 43.78688 346.1611 42.61530 346.6432 41.69140 347.1254 40.60239 347.6075 39.04162 348.0896 37.42583 348.5717 36.29577 349.0538 35.70370 349.5359 35.33123 350.0181 35.10006 350.5002 34.89628 350.9823 34.28297 351.4644 32.90558 351.9465 31.39912 352.4286 30.03190 352.9108 28.84998 353.3929 28.06014 353.8750 27.81294 354.3571 27.99152 354.8392 28.33877 355.3214 29.04149 355.8035 29.48638 356.2856 29.40842 356.7677 28.93292 357.2498 28.17616 357.7319 27.11457 358.2141 26.09435 358.6962 25.70148 359.1783 26.10034 359.6604 26.07123 360.1425 24.89455 360.6246 23.58894 361.1068 23.29651 361.5889 24.05176 362.0710 24.81596 362.5531 24.70722 363.0352 23.72032 363.5173 22.87127 363.9995 22.12125 364.4816 21.52592 364.9637 21.28137 365.4458 21.22641 365.9279 20.92994 366.4100 20.13753 366.8922 19.02498 367.3743 18.18072 367.8564 17.81882 368.3385 17.39890 368.8206 16.97858 369.3027 16.41015 369.7849 15.33418 370.2670 13.69549 370.7491 12.10365 371.2312 11.45975 371.7133 12.22978 372.1954 12.58096 372.6776 12.24021 373.1597 11.74590 373.6418 11.54546 374.1239 11.54463 374.6060 11.21424 375.0881 10.04279 375.5703 8.078423 376.0524 6.844093 376.5345 7.265808 377.0166 7.335381 377.4987 6.207123 377.9808 4.546158 378.4630 3.313110 378.9451 2.950676 379.4272 3.229843 379.9093 3.642563 380.3914 4.414581 380.8735 4.932426 381.3557 5.099297 381.8378 5.089378 382.3199 5.069427 382.8020 5.039726 383.2841 4.832687 383.7662 4.200974 384.2484 3.044296 384.7305 2.146095 385.2126 1.570000 385.6947 1.205711 386.1768 1.190094 386.6589 1.355682 387.1411 1.392647 387.6232 1.100227 388.1053 0.5647510 388.5874 5.9951998E-02 389.0695 0.5716710 389.5516 0.8478550 390.0338 0.3330150 390.5159 0.3545070 390.9980 0.6108090 391.4801 0.2720640 391.9622 0.2798540 392.4443 0.5722580 392.9265 0.5714570 393.4086 0.6255190 393.8907 0.7583850 394.3728 0.9806900 394.8549 1.457970 395.3370 2.072052 395.8192 2.397476 396.3013 1.998192 396.7834 1.105515 397.2655 0.4649580 397.7476 9.1193996E-02 398.2297 6.3988000E-02 398.7119 3.8099999E-04 399.1940 0.2581410 399.6761 0.7820050 400.1582 1.771439 400.6403 2.627602 401.1224 2.502792 401.6046 1.473976 402.0867 0.9230650 402.5688 1.618874 403.0509 2.563164 403.5330 2.473999 404.0151 1.334061 404.4973 0.2683720 404.9794 0.1343310 405.4615 0.1721420 405.9436 0.3641890 406.4257 0.7825160 406.9078 1.251068 407.3900 1.683662 407.8721 2.049461 408.3542 2.232697 408.8363 1.847595 409.3184 1.616577 409.8005 2.084274 410.2827 3.116791 410.7648 4.309067 411.2469 5.564888 411.7290 6.716217 412.2111 7.289162 412.6932 7.017105 413.1754 6.929482 413.6575 7.214119 414.1396 7.759163 414.6217 8.539528 415.1038 9.518700 415.5859 10.47231 416.0681 11.14436 416.5502 11.48510 417.0323 12.11783 417.5144 13.52341 417.9965 14.67427 418.4786 14.86444 418.9608 14.52512 419.4429 14.56350 419.9250 15.46478 420.4071 16.87603 420.8892 17.81602 421.3713 17.91419 421.8535 18.06815 422.3356 18.11751 422.8177 18.35641 423.2998 19.14690 423.7819 20.45055 424.2640 21.79964 424.7462 22.68898 425.2283 23.08346 425.7104 23.58629 426.1925 24.30333 426.6746 25.02000 427.1567 25.85023 427.6389 26.60126 428.1210 26.89252 428.6031 26.47057 429.0852 25.79632 429.5673 25.85217 430.0494 26.83532 430.5316 27.83089 431.0137 28.83085 431.4958 29.62620 431.9779 30.01236 432.4600 29.99863 432.9421 29.82679 433.4243 29.55367 433.9064 29.24780 434.3885 29.21453 434.8706 29.51141 435.3527 29.98057 435.8348 30.54489 436.3170 31.20616 436.7991 32.03820 437.2812 33.30748 437.7633 34.39745 438.2454 34.51843 438.7275 33.82396 439.2097 33.37524 439.6918 33.53756 440.1739 34.10311 440.6560 34.87560 441.1381 35.89554 441.6202 36.69483 442.1024 37.21535 442.5845 37.40820 443.0666 37.07227 443.5487 36.23325 444.0308 35.37515 444.5129 34.84672 444.9951 34.62862 445.4772 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