#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:59:39 +0300 (Thu, 26 Apr 2018) $ #$Revision: 580 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000122.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_1000122 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 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 R110039.rod _rod_data_source.block 3500000 _rod_database.code 1000122 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 217.9181 0.0000000E+00 218.4002 0.3034670 218.8823 0.5340580 219.3644 0.5500490 219.8466 0.5350340 220.3287 0.8222050 220.8108 1.702637 221.2929 2.081116 221.7750 1.770935 222.2571 1.144989 222.7393 0.5479430 223.2214 4.7394000E-02 223.7035 0.2139280 224.1856 9.1599999E-04 224.6677 0.7208860 225.1498 1.323883 225.6320 1.494629 226.1141 1.382202 226.5962 1.395905 227.0783 1.682251 227.5604 1.911438 228.0425 1.456512 228.5247 0.5315250 229.0068 5.6945998E-02 229.4889 0.8683170 229.9710 2.331085 230.4531 3.042877 230.9352 2.609711 231.4174 1.869934 231.8995 1.353271 232.3816 1.053436 232.8637 0.9469910 233.3458 1.165039 233.8279 1.601135 234.3101 1.875000 234.7922 1.878754 235.2743 1.778809 235.7564 1.621307 236.2385 1.455414 236.7206 1.492401 237.2028 1.791412 237.6849 2.258179 238.1670 2.981201 238.6491 4.078949 239.1312 4.772552 239.6133 4.672089 240.0955 4.090576 240.5776 3.586884 241.0597 3.564667 241.5418 3.904205 242.0239 3.928772 242.5060 3.380157 242.9882 2.925629 243.4703 2.722198 243.9524 2.727478 244.4345 2.861938 244.9166 3.092255 245.3987 3.392578 245.8809 3.606445 246.3630 3.575806 246.8451 3.624084 247.3272 3.886169 247.8093 4.184326 248.2914 4.428436 248.7736 4.562469 249.2557 4.547302 249.7378 4.248779 250.2199 3.221985 250.7020 2.468781 251.1841 2.359711 251.6663 2.528320 252.1484 2.499512 252.6305 2.057953 253.1126 1.368103 253.5947 0.8916020 254.0768 0.9074100 254.5590 0.8614200 255.0411 0.5476070 255.5232 0.2915650 256.0053 0.6206670 256.4874 1.472931 256.9695 2.540985 257.4517 3.077881 257.9338 1.540283 258.4159 0.8269650 258.8980 1.502014 259.3801 2.646210 259.8622 3.460999 260.3444 3.489807 260.8265 3.072968 261.3086 2.844086 261.7907 2.924591 262.2728 3.003967 262.7549 3.152527 263.2371 3.273712 263.7192 3.225159 264.2013 2.966766 264.6834 2.680573 265.1655 2.642334 265.6476 3.031219 266.1298 3.244904 266.6119 3.199158 267.0940 3.014984 267.5761 2.774231 268.0582 2.498138 268.5403 2.228943 269.0225 1.995514 269.5046 1.787720 269.9867 1.748749 270.4688 1.890442 270.9509 2.201782 271.4330 2.836273 271.9152 3.774658 272.3973 4.525085 272.8794 4.529480 273.3615 3.715759 273.8436 3.212280 274.3257 3.314423 274.8079 3.530304 275.2900 3.337555 275.7721 2.904480 276.2542 2.749542 276.7363 3.534576 277.2184 5.118256 277.7006 6.107941 278.1827 6.071106 278.6648 5.774811 279.1469 5.723206 279.6290 5.901001 280.1111 6.098572 280.5933 6.215759 281.0754 6.246002 281.5575 6.201477 282.0396 6.054230 282.5217 5.894836 283.0038 5.830780 283.4860 5.826569 283.9681 5.666504 284.4502 5.175323 284.9323 4.534302 285.4144 4.142029 285.8965 4.107544 286.3787 4.044861 286.8608 3.645905 287.3429 3.029572 287.8250 2.604279 288.3071 2.533966 288.7892 2.674377 289.2714 2.893799 289.7535 3.243683 290.2356 3.312042 290.7177 2.702118 291.1998 1.659241 291.6819 0.8246460 292.1641 0.3673100 292.6462 8.9873999E-02 293.1283 0.2863770 293.6104 0.7400210 294.0925 0.9615780 294.5746 0.5591740 295.0568 0.1176150 295.5389 0.2862550 296.0210 0.2922970 296.5031 0.9314580 296.9852 0.9544980 297.4673 0.5552060 297.9495 0.2330630 298.4316 0.3043520 298.9137 0.4849240 299.3958 0.2503660 299.8779 0.5178830 300.3600 1.161896 300.8422 0.9718930 301.3243 0.3984680 301.8064 0.2431030 302.2885 0.8963320 302.7706 1.824982 303.2527 2.438019 303.7349 2.720856 304.2170 2.896179 304.6991 2.921600 305.1812 2.977295 305.6633 3.321625 306.1454 4.045471 306.6276 4.907227 307.1097 5.757813 307.5918 6.591705 308.0739 7.307922 308.5560 7.775482 309.0381 8.200043 309.5203 8.862854 310.0024 9.800415 310.4845 10.63626 310.9666 10.90396 311.4487 10.77399 311.9308 11.15247 312.4130 12.42557 312.8951 13.95660 313.3772 15.11438 313.8593 15.96405 314.3414 16.87820 314.8235 18.10257 315.3057 19.51361 315.7878 20.83569 316.2699 22.07605 316.7520 23.17731 317.2341 23.98111 317.7162 24.61859 318.1984 25.34561 318.6805 26.20807 319.1626 27.13074 319.6447 28.16589 320.1268 29.34875 320.6089 30.50995 321.0911 31.67667 321.5732 32.74973 322.0553 33.51752 322.5374 33.85364 323.0195 34.02283 323.5016 34.30777 323.9838 34.66150 324.4659 34.80484 324.9480 34.44498 325.4301 33.93533 325.9122 33.75894 326.3943 34.00735 326.8765 34.26385 327.3586 34.32230 327.8407 34.13544 328.3228 33.55066 328.8049 32.21362 329.2870 30.96161 329.7692 30.80249 330.2513 31.55508 330.7334 31.98715 331.2155 31.37595 331.6976 30.10205 332.1797 29.04019 332.6619 28.23636 333.1440 27.56754 333.6261 26.97855 334.1082 26.46652 334.5903 26.04489 335.0724 25.69351 335.5546 25.44955 336.0367 25.48215 336.5188 25.83698 337.0009 25.93646 337.4830 25.13605 337.9651 23.95892 338.4473 23.44724 338.9294 24.11206 339.4115 24.82986 339.8936 24.46646 340.3757 23.20309 340.8578 22.47668 341.3400 23.11108 341.8221 24.23746 342.3042 24.46457 342.7863 23.64590 343.2684 22.81650 343.7505 22.51746 344.2327 22.57904 344.7148 22.61472 345.1969 22.56174 345.6790 22.41412 346.1611 22.03242 346.6432 21.46713 347.1254 21.17093 347.6075 21.64909 348.0896 22.27037 348.5717 22.09535 349.0538 21.00729 349.5359 19.96820 350.0181 19.78271 350.5002 20.26553 350.9823 20.45064 351.4644 20.06519 351.9465 19.56409 352.4286 19.33273 352.9108 19.32253 353.3929 19.16841 353.8750 18.64093 354.3571 17.85179 354.8392 17.14977 355.3214 16.62057 355.8035 16.05772 356.2856 15.20399 356.7677 14.26784 357.2498 13.76996 357.7319 13.93762 358.2141 14.21162 358.6962 13.75644 359.1783 12.42188 359.6604 11.25266 360.1425 10.47971 360.6246 9.885666 361.1068 9.299713 361.5889 8.687546 362.0710 8.033264 362.5531 7.277374 363.0352 6.434814 363.5173 5.905273 363.9995 5.986755 364.4816 6.057419 364.9637 5.839630 365.4458 5.374924 365.9279 4.738129 366.4100 3.920303 366.8922 3.064560 367.3743 2.672989 367.8564 2.970001 368.3385 3.373322 368.8206 4.111435 369.3027 4.784439 369.7849 4.841522 370.2670 4.148254 370.7491 3.127686 371.2312 2.339890 371.7133 1.824509 372.1954 1.492081 372.6776 1.546753 373.1597 1.601410 373.6418 1.391571 374.1239 0.9436650 374.6060 0.4250640 375.0881 8.0825999E-02 375.5703 0.5570070 376.0524 0.5356290 376.5345 0.7826390 377.0166 1.677795 377.4987 1.520691 377.9808 0.7628780 378.4630 3.7276998E-02 378.9451 0.3657680 379.4272 0.5230710 379.9093 0.6288150 380.3914 0.8393100 380.8735 0.7032470 381.3557 0.2783970 381.8378 1.235168 382.3199 1.424011 382.8020 0.8061680 383.2841 4.3609999E-02 383.7662 0.5189360 384.2484 0.6022640 384.7305 0.4537050 385.2126 0.5308230 385.6947 1.159134 386.1768 0.6562960 386.6589 0.4769900 387.1411 1.179276 387.6232 0.7255710 388.1053 0.4816740 388.5874 0.9308780 389.0695 6.2362999E-02 389.5516 0.5116420 390.0338 0.2357480 390.5159 0.3544160 390.9980 0.8149260 391.4801 1.020691 391.9622 1.048050 392.4443 0.9126280 392.9265 0.5773160 393.4086 0.4512630 393.8907 0.7121120 394.3728 1.091858 394.8549 1.492920 395.3370 1.888962 395.8192 2.218750 396.3013 2.473450 396.7834 2.632050 397.2655 2.571869 397.7476 2.177246 398.2297 1.866867 398.7119 1.826782 399.1940 2.010315 399.6761 2.441269 400.1582 3.246124 400.6403 4.028366 401.1224 4.385941 401.6046 4.334229 402.0867 4.057755 402.5688 3.378036 403.0509 2.765060 403.5330 2.850281 404.0151 3.646118 404.4973 4.363617 404.9794 4.584213 405.4615 4.523544 405.9436 4.485458 406.4257 4.480408 406.9078 4.712097 407.3900 5.558746 407.8721 6.835175 408.3542 7.588791 408.8363 7.384247 409.3184 6.972519 409.8005 6.748169 410.2827 6.703369 410.7648 6.833160 411.2469 7.176941 411.7290 7.610138 412.2111 7.796524 412.6932 7.502411 413.1754 7.565628 413.6575 8.480194 414.1396 9.631805 414.6217 10.38304 415.1038 10.62642 415.5859 10.62819 416.0681 10.62614 416.5502 10.61505 417.0323 10.66180 417.5144 10.54291 417.9965 10.69601 418.4786 11.60014 418.9608 12.87267 419.4429 13.73738 419.9250 13.77580 420.4071 13.31989 420.8892 13.29526 421.3713 14.11761 421.8535 14.76755 422.3356 15.21075 422.8177 15.49019 423.2998 15.49239 423.7819 15.29155 424.2640 15.25542 424.7462 15.86461 425.2283 17.20232 425.7104 17.99927 426.1925 17.61479 426.6746 17.36223 427.1567 17.73625 427.6389 18.45528 428.1210 19.07030 428.6031 19.36847 429.0852 19.46457 429.5673 19.57170 430.0494 19.68343 430.5316 19.69702 431.0137 19.48730 431.4958 19.27391 431.9779 19.20056 432.4600 19.27841 432.9421 19.40485 433.4243 19.55710 433.9064 19.69957 434.3885 19.70415 434.8706 19.43130 435.3527 19.18126 435.8348 19.28546 436.3170 19.45651 436.7991 19.23412 437.2812 18.28107 437.7633 17.25446 438.2454 16.83511 438.7275 16.95363 439.2097 16.99486 439.6918 16.55588 440.1739 16.07278 440.6560 16.41553 441.1381 17.68005 441.6202 18.33842 442.1024 17.52257 442.5845 16.18073 443.0666 15.38994 443.5487 15.20264 444.0308 15.19528 444.5129 15.04590 444.9951 14.75970 445.4772 14.49982 445.9593 14.32587 446.4414 14.11363 446.9235 13.81636 447.4056 13.43756 447.8878 13.05873 448.3699 12.69330 448.8520 12.34845 449.3341 12.05052 449.8162 11.77271 450.2983 11.63362 450.7805 11.89598 451.2626 12.03552 451.7447 11.64404 452.2268 10.88844 452.7089 10.25243 453.1910 10.07996 453.6732 10.23990 454.1553 10.16817 454.6374 9.640503 455.1195 9.260910 455.6016 9.180557 456.0837 9.228958 456.5659 9.354721 457.0480 9.513275 457.5301 9.511292 458.0122 8.896255 458.4943 7.688934 458.9764 7.389282 459.4586 8.628677 459.9407 9.915771 460.4228 10.53780 460.9049 10.66005 461.3870 10.55882 461.8691 10.30821 462.3513 9.908218 462.8334 9.214035 463.3155 8.249008 463.7976 7.658600 464.2797 7.820236 464.7618 8.236710 465.2440 8.263901 465.7261 7.901138 466.2082 7.533005 466.6903 7.123734 467.1724 6.864807 467.6545 7.251907 468.1367 8.250854 468.6188 8.784027 469.1009 7.940369 469.5830 6.094437 470.0651 5.133240 470.5472 5.734192 471.0294 6.235977 471.5115 6.224121 471.9936 5.880402 472.4757 5.318726 472.9578 4.602585 473.4399 3.988586 473.9221 3.826431 474.4042 4.244217 474.8863 4.363770 475.3684 4.027054 475.8505 3.598297 476.3326 3.107498 476.8148 2.637741 477.2969 2.340500 477.7790 2.298950 478.2611 2.351532 478.7432 2.123383 479.2253 1.466034 479.7075 0.9557500 480.1896 0.7373350 480.6717 0.6184080 481.1538 0.5248570 481.6359 0.4441220 482.1180 0.3696750 482.6002 0.2651670 483.0823 0.1746220 483.5644 0.2663730 484.0465 0.6156770 484.5286 0.8735050 485.0107 0.9223020 485.4929 0.7685240 485.9750 0.3028410 486.4571 0.5923160 486.9392 1.229385 487.4213 0.9520260 487.9034 0.1500550 488.3856 0.3150330 488.8677 0.2966770 489.3498 2.9678000E-02 489.8319 0.4166410 490.3140 0.9845120 490.7961 1.124283 491.2783 0.2715910 491.7604 0.4070890 492.2425 2.7344000E-02 492.7246 0.8341370 493.2067 1.007324 493.6888 8.1344999E-02 494.1710 1.296982 494.6531 2.139465 495.1352 2.317657 495.6173 2.320663 496.0994 2.035065 496.5815 1.711685 497.0637 1.398819 497.5458 1.149628 498.0279 1.074890 498.5100 1.255493 498.9921 1.551300 499.4742 1.547348 499.9564 0.9885560 500.4385 0.7830510 500.9206 1.388290 501.4027 2.118088 501.8848 2.558426 502.3669 2.714493 502.8491 2.828339 503.3312 2.999084 503.8133 3.262543 504.2954 3.824951 504.7775 4.805969 505.2596 5.504181 505.7418 5.397629 506.2239 4.918533 506.7060 4.641220 507.1881 4.583588 507.6702 4.815247 508.1523 5.677048 508.6345 6.775345 509.1166 7.380432 509.5987 7.384796 510.0808 7.312988 510.5629 7.593536 511.0450 8.194931 511.5272 8.712509 512.0093 9.156433 512.4914 9.511917 512.9735 9.642471 513.4556 9.717148 513.9377 10.01085 514.4199 10.58205 514.9020 11.26341 515.3841 11.86523 515.8662 12.40521 516.3483 12.74266 516.8304 12.71660 517.3126 12.65204 517.7947 12.56850 518.2768 12.52321 518.7589 12.60205 519.2410 12.84204 519.7231 13.16016 520.2053 13.43433 520.6874 13.65773 521.1695 13.92195 521.6516 14.21611 522.1337 14.58638 522.6158 15.21109 523.0980 15.94308 523.5801 16.34973 524.0622 16.16286 524.5443 15.69983 525.0264 14.99239 525.5085 14.17816 525.9907 14.25656 526.4728 15.82855 526.9549 17.88345 527.4370 18.92406 527.9191 18.84877 528.4012 18.56543 528.8834 18.00441 529.3655 17.39845 529.8476 16.87329 530.3297 16.43806 530.8118 16.10619 531.2939 15.89159 531.7761 15.73155 532.2582 15.44798 532.7403 14.81888 533.2224 14.48215 533.7045 14.62584 534.1866 14.86491 534.6688 15.09904 535.1509 15.23283 535.6330 15.05624 536.1151 14.32242 536.5972 13.33072 537.0793 12.94435 537.5615 13.33226 538.0436 13.65497 538.5257 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