#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:49:40 +0300 (Thu, 24 May 2018) $ #$Revision: 805 $ #$URL: svn://172.16.1.111/rod/cif/1/00/02/1000298.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_1000298 loop_ _publ_author_name 'Mills, S. J.' 'Kampf, A. R.' 'Kolitsch, U.' 'Housley, R. M.' 'Raudsepp, M.' _publ_section_title ; The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14, and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2 ; _journal_name_full 'American Mineralogist' _journal_page_first 933 _journal_page_last 938 _journal_paper_doi 10.2138/am.2010.3483 _journal_volume 95 _journal_year 2010 _chemical_compound_source 'Black Pine mine, NW of Philipsburg, Granite County, Montana, USA' _chemical_formula_sum 'As0.404 O14 P1.594 Pb3 Te Zn3' _chemical_name_mineral Kuksite _space_group_IT_number 150 _symmetry_space_group_name_Hall 'P 3 2"' _symmetry_space_group_name_H-M 'P 3 2 1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 8.392 _cell_length_b 8.392 _cell_length_c 5.204 _cell_volume 317.394 _exptl_crystal_density_diffrn 6.535 _cod_original_formula_sum 'Pb3 Te Zn3 P1.594 As.404 O14' _cod_database_code 9016211 _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 R110039.rod _rod_data_source.block 3500000 _rod_database.code 1000298 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 9016211 COD http://www.crystallography.net/cod/9016211.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 195.5936 0.0000000E+00 196.0757 4.6844002E-02 196.5579 0.4781800 197.0400 0.7738040 197.5221 1.621429 198.0042 1.449677 198.4863 0.8114930 198.9684 0.3206790 199.4506 0.4692080 199.9327 0.7546390 200.4148 2.615021 200.8969 3.322571 201.3790 2.646667 201.8611 2.097076 202.3433 2.801758 202.8254 4.924133 203.3075 6.241425 203.7896 6.317657 204.2717 5.718414 204.7538 5.925079 205.2360 7.088074 205.7181 8.455017 206.2002 9.658142 206.6823 10.71573 207.1644 11.38586 207.6465 11.46225 208.1287 11.22873 208.6108 11.63281 209.0929 12.88651 209.5750 14.18637 210.0571 15.02390 210.5392 15.32825 211.0214 15.52475 211.5035 15.61884 211.9856 15.64664 212.4677 15.74127 212.9498 15.95615 213.4319 16.14423 213.9140 16.20770 214.3962 16.11411 214.8783 16.03714 215.3604 15.97501 215.8425 15.94675 216.3246 16.04276 216.8067 16.29913 217.2889 16.60095 217.7710 16.86591 218.2531 17.04880 218.7352 17.31815 219.2173 17.73010 219.6994 18.23038 220.1816 18.57706 220.6637 18.74539 221.1458 18.79639 221.6279 18.65704 222.1100 17.95612 222.5921 18.08395 223.0743 19.58301 223.5564 22.01538 224.0385 23.29037 224.5206 22.87497 225.0027 22.13501 225.4848 21.91818 225.9670 22.49265 226.4491 22.95819 226.9312 23.13956 227.4133 23.15646 227.8954 23.66202 228.3775 25.06549 228.8597 26.35895 229.3418 26.86063 229.8239 26.16635 230.3060 25.60007 230.7881 25.20755 231.2702 25.00104 231.7524 25.13705 232.2345 25.87213 232.7166 26.56436 233.1987 26.77472 233.6808 26.12857 234.1629 25.82321 234.6451 26.07806 235.1272 26.73169 235.6093 27.11823 236.0914 27.30222 236.5735 27.13376 237.0556 26.43246 237.5378 24.70901 238.0199 23.54764 238.5020 23.16537 238.9841 23.41602 239.4662 23.77805 239.9483 24.54044 240.4305 25.04666 240.9126 24.88541 241.3947 23.62195 241.8768 22.66656 242.3589 22.10114 242.8410 21.88931 243.3232 21.91629 243.8053 22.29739 244.2874 22.75760 244.7695 23.18588 245.2516 23.61142 245.7337 23.92358 246.2159 24.07159 246.6980 24.34601 247.1801 24.82382 247.6622 25.34100 248.1443 25.83093 248.6264 25.87683 249.1086 25.25876 249.5907 24.82739 250.0728 24.67386 250.5549 24.73538 251.0370 24.91803 251.5191 25.68860 252.0013 25.87656 252.4834 24.68991 252.9655 21.03564 253.4476 18.96899 253.9297 19.11856 254.4118 20.62622 254.8940 21.60364 255.3761 21.95303 255.8582 21.93500 256.3403 21.52060 256.8224 20.38660 257.3046 19.92145 257.7867 20.46964 258.2688 21.46872 258.7509 21.82568 259.2330 21.28549 259.7151 20.60925 260.1973 20.11182 260.6794 19.91223 261.1615 19.32996 261.6436 18.06036 262.1257 16.68420 262.6078 16.31125 263.0900 17.40649 263.5721 18.42236 264.0542 18.72275 264.5363 18.13254 265.0184 18.15695 265.5005 19.14386 265.9827 20.35132 266.4648 20.56235 266.9469 19.32224 267.4290 18.42072 267.9111 18.50897 268.3932 19.66107 268.8754 20.57233 269.3575 21.23868 269.8396 21.65421 270.3217 21.73511 270.8038 21.37421 271.2859 21.04965 271.7681 20.83829 272.2502 20.74118 272.7323 20.96927 273.2144 21.58966 273.6965 22.39261 274.1786 23.20209 274.6608 24.05142 275.1429 24.75928 275.6250 25.26694 276.1071 25.59305 276.5892 25.83447 277.0714 25.94052 277.5535 26.10782 278.0356 26.65073 278.5177 27.64005 278.9998 28.19849 279.4819 27.94995 279.9641 27.16937 280.4462 27.27148 280.9283 28.48917 281.4104 29.58005 281.8925 29.36490 282.3746 27.82568 282.8568 26.47766 283.3389 25.60526 283.8210 25.06592 284.3031 24.60812 284.7852 24.29150 285.2673 23.61426 285.7495 21.93561 286.2316 19.36664 286.7137 17.33557 287.1958 16.13190 287.6779 15.39703 288.1600 14.39111 288.6422 13.10748 289.1243 11.85019 289.6064 10.92535 290.0885 10.23404 290.5706 9.297577 291.0527 8.012543 291.5349 6.590210 292.0170 5.353821 292.4991 4.297424 292.9812 3.273407 293.4633 2.077789 293.9454 0.8449400 294.4276 7.8185998E-02 294.9097 0.1375120 295.3918 0.1032100 295.8739 8.7890001E-03 296.3560 8.2947001E-02 296.8381 0.1388850 297.3203 1.192444 297.8024 2.586151 298.2845 3.227570 298.7666 3.044556 299.2487 2.642700 299.7308 2.785065 300.2130 3.229034 300.6951 3.269958 301.1772 2.356415 301.6593 1.016479 302.1414 8.9050002E-02 302.6235 0.9509280 303.1057 1.556458 303.5878 1.741699 304.0699 1.671204 304.5520 1.623260 305.0341 1.470612 305.5162 1.581512 305.9984 2.402802 306.4805 3.879303 306.9626 5.671692 307.4447 7.809113 307.9268 10.03656 308.4089 12.00568 308.8911 13.65362 309.3732 14.98547 309.8553 15.70453 310.3374 16.03033 310.8195 16.72180 311.3016 18.53098 311.7838 20.72299 312.2659 22.57910 312.7480 23.68951 313.2301 25.07715 313.7122 27.63058 314.1943 30.92587 314.6765 34.02234 315.1586 36.52914 315.6407 38.68790 316.1228 40.52768 316.6049 41.90701 317.0870 43.65759 317.5692 46.48502 318.0513 49.77170 318.5334 52.63348 319.0155 54.38464 319.4976 56.13358 319.9797 58.49326 320.4619 61.51767 320.9440 64.25983 321.4261 66.30798 321.9082 67.95633 322.3903 69.47314 322.8724 71.00662 323.3546 72.33072 323.8367 73.51443 324.3188 74.56519 324.8009 75.08295 325.2830 74.43668 325.7651 73.55212 326.2473 73.02805 326.7294 73.67532 327.2115 73.81888 327.6936 73.20810 328.1757 71.94626 328.6578 70.49768 329.1400 68.74094 329.6221 66.93018 330.1042 65.14529 330.5863 63.19595 331.0684 61.64172 331.5505 60.86829 332.0327 60.42340 332.5148 59.26624 332.9969 56.74164 333.4790 54.33542 333.9611 52.54752 334.4432 51.54480 334.9254 50.44373 335.4075 49.20181 335.8896 47.88531 336.3717 46.58060 336.8538 45.28040 337.3359 44.02972 337.8180 42.78149 338.3001 41.54800 338.7823 40.83511 339.2644 40.87897 339.7465 41.01428 340.2286 40.50592 340.7107 39.22498 341.1928 38.15555 341.6750 37.55490 342.1571 37.30453 342.6392 36.96411 343.1213 36.50858 343.6034 36.09818 344.0855 35.88644 344.5677 35.86646 345.0498 35.73639 345.5319 35.39969 346.0140 35.04242 346.4961 35.17496 346.9782 35.77017 347.4604 36.12561 347.9425 35.51788 348.4246 34.29471 348.9067 33.83145 349.3888 34.29102 349.8709 35.05795 350.3531 35.44766 350.8352 35.52301 351.3173 35.52261 351.7994 35.63443 352.2815 35.69885 352.7636 35.38245 353.2458 34.68866 353.7279 33.95581 354.2100 33.38733 354.6921 32.97067 355.1742 32.70004 355.6563 33.02817 356.1385 33.02808 356.6206 31.39883 357.1027 28.48376 357.5848 25.93692 358.0669 25.05106 358.5490 24.84479 359.0312 24.42441 359.5133 23.53577 359.9954 22.63217 360.4775 22.00455 360.9596 21.50452 361.4417 20.83932 361.9239 19.85648 362.4060 18.70251 362.8881 17.38876 363.3702 15.86319 363.8523 14.50272 364.3344 13.49200 364.8166 12.68845 365.2987 11.91522 365.7808 11.41550 366.2629 10.68222 366.7450 9.330780 367.2271 7.368317 367.7093 5.986542 368.1914 5.817810 368.6735 5.954865 369.1556 5.804443 369.6377 4.890076 370.1198 4.258148 370.6020 4.161316 371.0841 4.400787 371.5662 4.246216 372.0483 3.428772 372.5304 2.540527 373.0125 1.838745 373.4947 1.447998 373.9768 0.8473210 374.4589 0.2070310 374.9410 1.284271 375.4231 1.543884 375.9052 0.5643310 376.3874 4.1687001E-02 376.8695 0.3913570 377.3516 1.824524 377.8337 2.534912 378.3158 2.402283 378.7979 1.895813 379.2801 1.401611 379.7622 0.9068300 380.2443 0.5131530 380.7264 0.1979370 381.2085 2.4323000E-02 381.6906 0.2787780 382.1728 0.9739990 382.6549 1.595978 383.1370 1.776947 383.6191 1.595856 384.1012 1.331268 384.5833 1.009064 385.0655 0.6344910 385.5476 0.2185360 386.0297 0.2410580 386.5118 0.7375490 386.9939 1.405487 387.4760 2.060913 387.9582 2.419891 388.4403 2.482056 388.9224 2.420319 389.4045 2.253235 389.8866 2.087738 390.3687 2.085083 390.8509 2.449799 391.3330 2.839661 391.8151 2.896332 392.2972 2.736633 392.7793 2.826599 393.2614 3.534515 393.7436 4.488403 394.2257 5.497101 394.7078 6.651459 395.1899 7.520691 395.6720 7.698517 396.1541 7.532898 396.6363 7.585571 397.1184 8.261047 397.6005 8.921204 398.0826 9.211426 398.5647 9.014771 399.0468 9.325470 399.5290 11.00415 400.0111 12.79709 400.4932 13.68445 400.9753 12.62198 401.4574 12.05905 401.9395 12.35754 402.4217 13.35336 402.9038 14.28259 403.3859 15.14056 403.8680 15.94177 404.3501 16.63486 404.8322 17.06778 405.3144 17.99915 405.7965 19.72391 406.2786 21.58096 406.7607 22.34570 407.2428 21.79074 407.7249 21.38953 408.2071 21.70364 408.6892 22.60248 409.1713 23.22079 409.6534 23.51578 410.1355 23.78580 410.6176 24.31570 411.0998 25.06921 411.5819 25.84662 412.0640 26.64081 412.5461 27.38583 413.0282 27.86957 413.5103 28.15805 413.9925 28.65271 414.4746 29.91995 414.9567 31.44089 415.4388 32.30286 415.9209 32.38574 416.4030 32.35074 416.8852 32.72879 417.3673 33.37106 417.8494 34.03421 418.3315 34.67761 418.8136 35.28113 419.2957 35.78705 419.7779 36.22214 420.2600 36.77756 420.7421 37.75372 421.2242 38.76016 421.7063 39.45615 422.1884 39.56140 422.6706 39.81311 423.1527 40.32474 423.6348 41.11551 424.1169 42.21500 424.5990 44.14133 425.0811 45.88788 425.5633 47.06723 426.0454 47.57483 426.5275 48.26096 427.0096 49.24561 427.4917 50.30420 427.9738 51.27664 428.4560 52.14932 428.9381 52.93866 429.4202 53.60794 429.9023 54.16635 430.3844 54.73099 430.8665 55.36786 431.3487 55.82632 431.8308 55.85489 432.3129 55.38513 432.7950 55.20779 433.2771 55.44281 433.7592 55.92505 434.2414 56.46030 434.7235 56.95755 435.2056 56.98846 435.6877 56.30484 436.1698 55.33337 436.6519 54.92871 437.1341 55.06665 437.6162 55.25357 438.0983 55.21881 438.5804 54.96002 439.0625 54.40259 439.5446 53.42075 440.0268 52.39108 440.5089 51.67642 440.9910 51.20999 441.4731 50.82635 441.9552 50.72037 442.4373 50.45523 442.9195 49.55713 443.4016 48.04080 443.8837 46.82773 444.3658 46.57410 444.8479 46.60400 445.3300 46.38434 445.8122 45.71497 446.2943 44.87299 446.7764 43.61841 447.2585 42.20459 447.7406 41.28903 448.2227 41.50208 448.7049 41.64752 449.1870 41.37473 449.6691 40.62518 450.1512 39.79193 450.6333 38.75095 451.1154 37.78510 451.5976 37.21158 452.0797 37.17862 452.5618 37.08539 453.0439 36.90799 453.5260 36.58701 454.0081 35.73026 454.4903 34.20096 454.9724 33.03369 455.4545 33.01080 455.9366 33.95132 456.4187 34.62646 456.9008 34.99567 457.3830 35.05753 457.8651 34.52139 458.3472 33.61273 458.8293 33.12381 459.3114 33.57193 459.7935 34.27911 460.2757 34.33585 460.7578 33.85028 461.2399 33.39676 461.7220 33.51257 462.2041 33.72769 462.6862 33.49982 463.1684 32.61612 463.6505 31.92365 464.1326 32.14932 464.6147 32.74689 465.0968 33.01312 465.5789 32.75769 466.0611 32.12949 466.5432 30.94681 467.0253 29.29364 467.5074 27.97556 467.9895 27.22461 468.4716 26.72491 468.9538 26.37415 469.4359 26.39114 469.9180 26.07007 470.4001 25.27658 470.8822 24.22595 471.3643 23.20490 471.8465 22.16660 472.3286 21.28763 472.8107 20.67841 473.2928 20.27185 473.7749 19.62634 474.2570 18.71246 474.7392 17.71014 475.2213 16.73938 475.7034 15.79462 476.1855 14.87735 476.6676 14.02698 477.1497 13.07709 477.6319 11.67477 478.1140 9.967804 478.5961 8.450012 479.0782 7.475525 479.5603 6.719360 480.0424 5.793762 480.5246 4.719604 481.0067 3.700897 481.4888 2.852173 481.9709 2.118469 482.4530 1.443909 482.9352 0.7808230 483.4173 0.2598270 483.8994 5.5877998E-02 484.3815 6.8660001E-03 484.8636 0.1933900 485.3457 0.8849790 485.8279 1.380646 486.3100 1.350311 486.7921 0.7900390 487.2742 0.5586850 487.7563 0.8193050 488.2384 1.227692 488.7206 1.601013 489.2027 1.929626 489.6848 2.250977 490.1669 2.643585 490.6490 2.935272 491.1311 2.826050 491.6133 2.277679 492.0954 1.602325 492.5775 0.8802190 493.0596 0.1096190 493.5417 0.9052730 494.0238 2.167877 494.5060 3.013306 494.9881 2.527466 495.4702 1.254639 495.9523 0.5904540 496.4344 0.7825930 496.9165 1.270752 497.3987 1.402130 497.8808 1.437134 498.3629 1.866547 498.8450 3.441711 499.3271 5.019592 499.8092 5.854034 500.2914 6.030945 500.7735 5.971588 501.2556 5.455902 501.7377 5.054474 502.2198 5.171387 502.7019 6.143372 503.1841 6.889526 503.6662 7.003296 504.1483 6.945618 504.6304 7.277374 505.1125 8.477020 505.5946 9.259583 506.0768 9.213837 506.5589 8.574799 507.0410 8.542480 507.5231 9.216522 508.0052 10.20084 508.4873 11.35776 508.9695 12.67206 509.4516 14.11221 509.9337 15.76846 510.4158 17.15414 510.8979 17.35513 511.3800 16.68738 511.8622 16.62299 512.3443 17.78424 512.8264 19.38666 513.3085 20.35632 513.7906 20.86432 514.2728 21.52090 514.7549 22.78366 515.2370 24.27545 515.7191 25.62573 516.2012 26.79904 516.6833 28.18619 517.1655 30.38159 517.6476 32.67035 518.1297 34.43512 518.6118 34.97781 519.0939 35.70685 519.5760 36.94614 520.0582 38.51025 520.5403 39.96680 521.0224 41.05270 521.5045 42.38281 521.9866 44.24420 522.4688 46.63953 522.9509 48.58591 523.4330 50.01978 523.9151 51.16751 524.3972 52.17035 524.8793 53.01917 525.3615 53.68802 525.8436 54.07391 526.3257 54.55759 526.8078 56.00299 527.2899 58.15732 527.7720 59.80368 528.2542 60.40863 528.7363 60.27054 529.2184 59.41708 529.7005 58.02258 530.1826 56.99045 530.6647 57.53601 531.1469 58.29251 531.6290 57.92953 532.1111 56.01538 532.5932 54.25323 533.0753 53.58636 533.5574 53.29767 534.0396 52.65622 534.5217 50.90567 535.0038 49.53946 535.4859 49.03497 535.9680 49.07816 536.4501 48.63635 536.9323 47.42267 537.4144 46.21533 537.8965 45.32010 538.3786 44.74710 538.8607 44.10767 539.3428 43.41263 539.8250 42.62039 540.3071 41.61612 540.7892 40.44598 541.2713 39.45520 541.7534 38.73148 542.2355 38.11676 542.7177 37.49802 543.1998 36.80725 543.6819 35.88516 544.1640 34.20184 544.6461 32.62622 545.1282 32.24023 545.6104 32.82492 546.0925 33.05402 546.5746 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