#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:51:10 +0300 (Thu, 24 May 2018) $ #$Revision: 830 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000319.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_1000319 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 other _raman_measurement_device.excitation_laser_wavelength 532 _raman_measurement_device.configuration simple _raman_measurement_device.resolution 4 _raman_measurement_device.power_on_sample 15 _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 1000319 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 172.9341 0.0000000E+00 173.4163 1.213882 173.8984 0.5571750 174.3805 0.4078600 174.8626 0.3888400 175.3447 0.3780980 175.8268 1.926285 176.3090 4.518593 176.7911 8.062256 177.2732 11.93623 177.7553 14.60403 178.2374 16.44713 178.7195 19.05315 179.2017 23.72240 179.6838 29.31027 180.1659 33.74405 180.6480 36.96648 181.1301 40.28545 181.6122 45.25427 182.0944 51.52882 182.5765 57.81879 183.0586 64.02258 183.5407 69.79683 184.0228 74.64124 184.5049 78.45184 184.9871 81.66528 185.4692 84.66096 185.9513 87.45094 186.4334 89.92824 186.9155 91.79842 187.3976 93.30013 187.8798 95.34789 188.3619 98.03741 188.8440 100.9662 189.3261 103.5278 189.8082 105.8051 190.2903 108.1584 190.7725 110.6257 191.2546 113.3088 191.7367 116.5721 192.2188 120.5048 192.7009 124.7837 193.1830 128.8204 193.6652 132.5776 194.1473 136.3368 194.6294 140.4473 195.1115 144.8345 195.5936 148.3989 196.0757 150.9491 196.5579 152.8960 197.0400 154.7956 197.5221 156.5932 198.0042 158.8844 198.4863 162.1623 198.9684 166.4237 199.4506 170.8251 199.9327 175.3453 200.4148 179.8730 200.8969 184.1268 201.3790 188.1522 201.8611 191.9209 202.3433 195.3854 202.8254 198.5292 203.3075 201.7384 203.7896 205.2527 204.2717 208.6533 204.7538 210.9060 205.2360 212.0146 205.7181 212.6368 206.2002 213.2921 206.6823 213.7302 207.1644 212.9138 207.6465 210.5983 208.1287 206.8895 208.6108 203.4707 209.0929 199.9635 209.5750 195.8015 210.0571 191.1593 210.5392 186.2286 211.0214 181.2406 211.5035 175.9821 211.9856 170.7249 212.4677 165.1685 212.9498 159.2547 213.4319 153.7261 213.9140 149.0854 214.3962 145.9057 214.8783 142.3818 215.3604 138.2234 215.8425 133.6329 216.3246 129.6962 216.8067 126.8001 217.2889 123.7503 217.7710 119.6315 218.2531 113.8718 218.7352 108.7189 219.2173 104.5164 219.6994 101.0052 220.1816 97.13696 220.6637 92.61743 221.1458 88.14275 221.6279 84.22037 222.1100 81.02155 222.5921 77.85315 223.0743 74.69649 223.5564 71.53311 224.0385 68.06593 224.5206 64.10831 225.0027 60.25383 225.4848 56.87007 225.9670 54.06267 226.4491 51.57771 226.9312 49.62846 227.4133 48.01511 227.8954 45.62201 228.3775 42.15666 228.8597 38.39983 229.3418 34.81651 229.8239 31.39247 230.3060 28.19312 230.7881 25.40720 231.2702 22.85411 231.7524 20.17123 232.2345 17.14944 232.7166 14.34779 233.1987 12.18077 233.6808 11.06526 234.1629 9.606873 234.6451 7.483932 235.1272 4.925491 235.6093 2.927078 236.0914 1.686783 236.5735 0.7301940 237.0556 0.1808620 237.5378 1.004974 238.0199 1.888519 238.5020 2.957550 238.9841 4.095566 239.4662 4.756973 239.9483 4.594620 240.4305 4.423019 240.9126 4.722580 241.3947 5.875809 241.8768 6.614197 242.3589 6.599396 242.8410 6.145203 243.3232 6.469650 243.8053 8.269836 244.2874 9.891479 244.7695 10.42398 245.2516 9.281158 245.7337 8.366867 246.2159 7.719696 246.6980 7.342499 247.1801 7.320221 247.6622 7.983810 248.1443 8.505005 248.6264 8.439804 249.1086 7.445633 249.5907 6.717209 250.0728 6.485153 250.5549 6.469437 251.0370 5.862839 251.5191 4.273285 252.0013 2.704285 252.4834 1.622025 252.9655 1.325760 253.4476 0.7599330 253.9297 0.1339720 254.4118 1.271805 254.8940 2.485138 255.3761 3.716446 255.8582 5.132477 256.3403 6.782089 256.8224 8.646103 257.3046 10.81244 257.7867 13.43784 258.2688 16.23528 258.7509 18.59781 259.2330 20.29622 259.7151 21.95744 260.1973 23.75282 260.6794 25.54982 261.1615 27.94554 261.6436 31.16389 262.1257 34.75381 262.6078 37.82768 263.0900 39.93935 263.5721 42.54561 264.0542 46.27066 264.5363 51.40974 265.0184 56.04852 265.5005 60.12498 265.9827 63.88713 266.4648 67.75438 266.9469 71.71211 267.4290 75.72121 267.9111 79.67462 268.3932 83.49936 268.8754 88.35492 269.3575 94.72250 269.8396 101.3631 270.3217 106.3227 270.8038 108.9746 271.2859 112.3512 271.7681 117.6552 272.2502 124.7517 272.7323 130.3568 273.2144 134.0569 273.6965 136.8846 274.1786 139.7305 274.6608 142.5551 275.1429 145.8434 275.6250 150.0231 276.1071 154.8418 276.5892 158.4857 277.0714 160.7314 277.5535 162.2555 278.0356 163.5423 278.5177 164.5640 278.9998 165.6131 279.4819 166.7250 279.9641 167.9161 280.4462 169.2792 280.9283 170.8921 281.4104 172.3586 281.8925 173.4723 282.3746 174.2398 282.8568 174.4665 283.3389 174.1979 283.8210 173.3287 284.3031 171.3796 284.7852 168.2635 285.2673 164.8376 285.7495 161.8230 286.2316 159.1534 286.7137 155.9250 287.1958 152.1035 287.6779 147.5633 288.1600 141.9187 288.6422 135.1589 289.1243 127.7812 289.6064 120.0363 290.0885 111.9476 290.5706 103.8319 291.0527 95.52924 291.5349 87.64828 292.0170 81.45451 292.4991 76.85959 292.9812 72.32874 293.4633 66.90424 293.9454 60.87762 294.4276 55.16275 294.9097 49.78906 295.3918 44.98746 295.8739 41.32088 296.3560 38.61574 296.8381 35.94646 297.3203 32.55487 297.8024 29.06876 298.2845 26.61443 298.7666 25.19562 299.2487 24.61504 299.7308 25.12312 300.2130 26.47552 300.6951 27.83983 301.1772 28.58966 301.6593 29.13252 302.1414 30.12103 302.6235 31.60323 303.1057 33.74673 303.5878 36.72662 304.0699 40.34613 304.5520 44.18378 305.0341 48.08913 305.5162 52.07947 305.9984 55.93875 306.4805 59.80142 306.9626 64.72382 307.4447 71.64627 307.9268 79.87192 308.4089 88.44821 308.8911 97.25412 309.3732 106.3203 309.8553 115.3813 310.3374 124.5456 310.8195 134.4613 311.3016 145.6666 311.7838 157.6066 312.2659 169.8219 312.7480 181.9379 313.2301 194.7517 313.7122 208.7977 314.1943 224.0376 314.6765 240.0864 315.1586 256.5211 315.6407 273.8320 316.1228 292.5840 316.6049 312.8637 317.0870 334.1434 317.5692 356.1588 318.0513 378.8788 318.5334 402.1353 319.0155 426.4729 319.4976 450.8385 319.9797 474.6898 320.4619 498.0036 320.9440 520.7841 321.4261 543.7427 321.9082 565.6528 322.3903 585.2478 322.8724 601.3948 323.3546 616.0555 323.8367 630.5553 324.3188 644.7616 324.8009 655.0120 325.2830 658.6215 325.7651 659.3041 326.2473 659.4457 326.7294 660.7246 327.2115 659.8358 327.6936 655.9603 328.1757 649.5272 328.6578 642.4492 329.1400 633.6035 329.6221 625.1135 330.1042 617.8788 330.5863 613.1168 331.0684 607.5336 331.5505 600.2996 332.0327 592.4106 332.5148 586.2579 332.9969 583.2096 333.4790 579.9883 333.9611 575.2557 334.4432 568.4193 334.9254 562.4626 335.4075 558.3615 335.8896 554.3444 336.3717 547.7018 336.8538 537.3171 337.3359 527.1531 337.8180 518.6554 338.3001 511.8198 338.7823 503.5185 339.2644 493.8284 339.7465 482.7587 340.2286 469.9185 340.7107 455.0860 341.1928 440.4593 341.6750 426.6341 342.1571 413.5071 342.6392 401.6571 343.1213 391.2404 343.6034 380.6959 344.0855 368.1542 344.5677 353.8266 345.0498 340.9029 345.5319 329.9843 346.0140 320.4251 346.4961 311.1419 346.9782 302.1535 347.4604 293.3604 347.9425 284.7903 348.4246 276.4674 348.9067 268.8639 349.3888 262.0916 349.8709 255.3104 350.3531 247.0213 350.8352 237.7699 351.3173 229.5555 351.7994 223.7687 352.2815 219.2639 352.7636 213.9653 353.2458 207.8560 353.7279 201.9910 354.2100 197.4600 354.6921 193.7868 355.1742 190.1616 355.6563 186.3020 356.1385 182.3616 356.6206 178.2807 357.1027 174.1354 357.5848 170.4194 358.0669 167.8278 358.5490 165.5626 359.0312 162.7750 359.5133 158.9196 359.9954 155.3339 360.4775 153.0219 360.9596 151.5315 361.4417 149.9386 361.9239 147.8499 362.4060 145.5572 362.8881 143.1931 363.3702 140.7614 363.8523 138.3272 364.3344 136.0544 364.8166 133.7409 365.2987 131.1337 365.7808 127.7016 366.2629 124.5182 366.7450 122.1040 367.2271 120.4537 367.7093 118.3234 368.1914 115.3099 368.6735 111.9295 369.1556 108.4796 369.6377 104.4152 370.1198 101.0910 370.6020 99.02448 371.0841 97.79761 371.5662 95.86491 372.0483 92.70923 372.5304 89.50555 373.0125 86.80673 373.4947 85.02020 373.9768 82.55873 374.4589 79.01657 374.9410 75.09366 375.4231 72.05821 375.9052 70.26875 376.3874 68.28040 376.8695 65.45287 377.3516 61.79877 377.8337 59.38391 378.3158 58.37500 378.7979 58.03893 379.2801 57.79832 379.7622 57.66063 380.2443 57.40791 380.7264 56.99036 381.2085 56.42966 381.6906 55.68089 382.1728 54.73842 382.6549 53.93637 383.1370 53.69290 383.6191 53.81688 384.1012 53.52132 384.5833 52.62761 385.0655 51.59198 385.5476 51.18127 386.0297 51.19016 386.5118 50.91800 386.9939 49.61526 387.4760 47.99002 387.9582 47.31313 388.4403 47.61304 388.9224 47.63306 389.4045 46.33022 389.8866 44.13655 390.3687 41.59639 390.8509 38.47786 391.3330 35.56667 391.8151 33.72249 392.2972 32.65659 392.7793 31.14983 393.2614 28.18840 393.7436 24.83589 394.2257 21.79329 394.7078 19.33568 395.1899 16.87672 395.6720 14.02055 396.1541 11.05994 396.6363 8.466705 397.1184 6.456406 397.6005 4.732925 398.0826 3.381622 398.5647 2.501556 399.0468 1.121048 399.5290 1.382599 400.0111 4.126678 400.4932 6.416077 400.9753 8.223999 401.4574 9.609283 401.9395 10.48485 402.4217 10.91812 402.9038 11.19753 403.3859 11.36032 403.8680 11.31300 404.3501 10.93216 404.8322 10.02351 405.3144 9.520157 405.7965 9.631195 406.2786 9.900650 406.7607 9.517014 407.2428 8.349442 407.7249 7.249619 408.2071 6.567566 408.6892 6.210907 409.1713 5.614059 409.6534 4.766647 410.1355 3.727356 410.6176 2.468048 411.0998 1.029419 411.5819 0.2834630 412.0640 1.302826 412.5461 2.356506 413.0282 4.156601 413.5103 6.575867 413.9925 8.892899 414.4746 10.48837 414.9567 11.79875 415.4388 13.58322 415.9209 15.97273 416.4030 18.29030 416.8852 19.69548 417.3673 20.71454 417.8494 22.20526 418.3315 24.84680 418.8136 27.79105 419.2957 30.57005 419.7779 33.18900 420.2600 35.84486 420.7421 38.74863 421.2242 41.64345 421.7063 44.24533 422.1884 46.30760 422.6706 48.53357 423.1527 51.17418 423.6348 54.09904 424.1169 57.06572 424.5990 60.59567 425.0811 63.66039 425.5633 65.79626 426.0454 66.84612 426.5275 68.09435 427.0096 69.77673 427.4917 71.47189 427.9738 72.87080 428.4560 74.05975 428.9381 74.70512 429.4202 74.45662 429.9023 73.69861 430.3844 73.98199 430.8665 75.87863 431.3487 77.18526 431.8308 76.50079 432.3129 73.71318 432.7950 71.39828 433.2771 69.58716 433.7592 68.26794 434.2414 67.55392 434.7235 67.39868 435.2056 67.21896 435.6877 66.78708 436.1698 66.25281 436.6519 65.98796 437.1341 65.97530 437.6162 65.88734 438.0983 65.29465 438.5804 64.50243 439.0625 64.05052 439.5446 64.06697 440.0268 64.30061 440.5089 64.50610 440.9910 64.76364 441.4731 65.23888 441.9552 66.28517 442.4373 67.34956 442.9195 68.10777 443.4016 68.54657 443.8837 68.78006 444.3658 68.54004 444.8479 68.28239 445.3300 68.39085 445.8122 69.64038 446.2943 70.33243 446.7764 69.77122 447.2585 68.48048 447.7406 67.76758 448.2227 68.69698 448.7049 69.18022 449.1870 68.50850 449.6691 66.52353 450.1512 64.51682 450.6333 62.40077 451.1154 60.32932 451.5976 58.53023 452.0797 57.26570 452.5618 55.64778 453.0439 53.48688 453.5260 50.84311 454.0081 47.70790 454.4903 43.96509 454.9724 40.36523 455.4545 37.29102 455.9366 34.79361 456.4187 32.76810 456.9008 31.32170 457.3830 29.78360 457.8651 27.22392 458.3472 23.90172 458.8293 20.76974 459.3114 18.05693 459.7935 15.79059 460.2757 14.06972 460.7578 12.84279 461.2399 11.78841 461.7220 10.73108 462.2041 9.771866 462.6862 8.980911 463.1684 8.293518 463.6505 7.936707 464.1326 8.182281 464.6147 8.828415 465.0968 9.619400 465.5789 10.36195 466.0611 11.29164 466.5432 12.23337 467.0253 13.28165 467.5074 15.28987 467.9895 18.73077 468.4716 22.89520 468.9538 27.40160 469.4359 31.90269 469.9180 37.36552 470.4001 44.12334 470.8822 51.60529 471.3643 58.93539 471.8465 65.84517 472.3286 73.37798 472.8107 81.86314 473.2928 91.12158 473.7749 100.8802 474.2570 111.1145 474.7392 121.7340 475.2213 132.5457 475.7034 143.6240 476.1855 155.3633 476.6676 167.6858 477.1497 181.1455 477.6319 196.3374 478.1140 213.1772 478.5961 231.2169 479.0782 250.4776 479.5603 270.7080 480.0424 291.5607 480.5246 313.1638 481.0067 335.7416 481.4888 359.4272 481.9709 384.1406 482.4530 410.1708 482.9352 438.7898 483.4173 465.6405 483.8994 489.3138 484.3815 510.1494 484.8636 528.4337 485.3457 546.3254 485.8279 559.5107 486.3100 567.2190 486.7921 569.2679 487.2742 565.1577 487.7563 554.7207 488.2384 538.2571 488.7206 515.4441 489.2027 484.2019 489.6848 452.4673 490.1669 420.0088 490.6490 387.4268 491.1311 354.6499 491.6133 321.7365 492.0954 290.1324 492.5775 259.9248 493.0596 231.4727 493.5417 205.6732 494.0238 182.6209 494.5060 161.7600 494.9881 142.9530 495.4702 126.1503 495.9523 110.6674 496.4344 96.47486 496.9165 83.83491 497.3987 73.45135 497.8808 64.72480 498.3629 56.74261 498.8450 49.11189 499.3271 42.08710 499.8092 36.00427 500.2914 30.72752 500.7735 26.02894 501.2556 21.88666 501.7377 18.11707 502.2198 14.62312 502.7019 11.35188 503.1841 8.341553 503.6662 5.553131 504.1483 3.049408 504.6304 0.9258960 505.1125 0.7961580 505.5946 2.129753 506.0768 2.963234 506.5589 3.397964 507.0410 4.055656 507.5231 5.104050 508.0052 5.926872 508.4873 6.080429 508.9695 5.551186 509.4516 5.445602 509.9337 5.906693 510.4158 6.223007 510.8979 5.463615 511.3800 3.811462 511.8622 2.068741 512.3443 0.3558350 512.8264 1.220123 513.3085 2.299782 513.7906 3.073380 514.2728 4.221565 514.7549 6.376350 515.2370 8.911110 515.7191 11.26072 516.2012 13.37529 516.6833 15.66096 517.1655 18.33607 517.6476 21.27091 518.1297 24.35497 518.6118 27.53532 519.0939 30.90334 519.5760 34.50598 520.0582 38.29593 520.5403 42.22874 521.0224 46.08633 521.5045 50.34605 521.9866 55.30647 522.4688 60.98392 522.9509 66.05724 523.4330 70.35717 523.9151 74.50774 524.3972 78.99714 524.8793 83.81313 525.3615 88.68410 525.8436 93.65512 526.3257 98.56855 526.8078 103.2081 527.2899 107.5687 527.7720 111.5358 528.2542 114.8144 528.7363 117.8195 529.2184 121.1521 529.7005 124.7388 530.1826 128.3300 530.6647 131.9934 531.1469 135.4488 531.6290 138.5740 532.1111 141.3945 532.5932 143.5816 533.0753 144.9098 533.5574 145.5930 534.0396 145.8369 534.5217 146.2182 535.0038 145.5348 535.4859 143.3472 535.9680 139.9670 536.4501 136.3491 536.9323 132.8523 537.4144 128.5275 537.8965 123.0296 538.3786 116.3751 538.8607 108.9090 539.3428 100.5342 539.8250 91.83035 540.3071 83.20208 540.7892 74.79683 541.2713 66.89792 541.7534 59.59392 542.2355 52.86928 542.7177 46.69426 543.1998 41.04376 543.6819 36.01880 544.1640 31.79720 544.6461 28.20398 545.1282 25.03148 545.6104 22.30918 546.0925 20.14356 546.5746 18.89855 547.0567 18.02904 547.5388 17.14832 548.0209 16.15564 548.5031 15.30247 548.9852 14.56544 549.4673 14.03199 549.9494 13.80001 550.4315 14.16199 550.9136 14.36426 551.3958 14.23125 551.8779 13.90367 552.3600 13.87965 552.8421 14.31409 553.3242 14.50421 553.8063 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