#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:54:01 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1001 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000458.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_1000458 loop_ _publ_author_name 'Kyono, A.' 'Kimata, M.' _publ_section_title ; Crystal structures of chalcostibite (CuSbS2) and emplectite (CuBiS2): Structural relationship of stereochemical activity between chalcostibite and emplectite ; _journal_name_full 'American Mineralogist' _journal_page_first 162 _journal_page_last 165 _journal_paper_doi 10.2138/am.2005.1585 _journal_volume 90 _journal_year 2005 _chemical_compound_source R060262 _chemical_formula_sum 'Cu S2 Sb' _chemical_name_mineral Chalcostibite _space_group_IT_number 62 _symmetry_space_group_name_Hall '-P 2ac 2n' _symmetry_space_group_name_H-M 'P n m a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 6.018 _cell_length_b 3.7958 _cell_length_c 14.495 _cell_volume 331.111 _exptl_crystal_density_diffrn 5.004 _cod_original_formula_sum 'Cu Sb S2' _cod_database_code 9003580 _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 R060262.rod _rod_data_source.block 3500000 _rod_database.code 1000458 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 9003580 COD http://www.crystallography.net/cod/9003580.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 138.2217 0.0000000E+00 138.7039 2.476774 139.1860 3.736033 139.6681 0.1750420 140.1502 0.2683550 140.6323 3.362274 141.1144 6.801679 141.5966 8.217193 142.0787 6.987280 142.5608 6.488250 143.0429 7.217310 143.5250 8.382336 144.0071 7.821669 144.4893 3.877928 144.9714 0.8906290 145.4535 1.166185 145.9356 7.379879 146.4177 11.44890 146.8998 12.35534 147.3820 10.93005 147.8641 10.77558 148.3462 13.58802 148.8283 16.06991 149.3104 16.36572 149.7925 10.71546 150.2747 7.806856 150.7568 9.962132 151.2389 16.57988 151.7210 20.17354 152.2031 16.88073 152.6852 12.87965 153.1674 11.97836 153.6495 18.02867 154.1316 23.33003 154.6137 26.92842 155.0958 28.78979 155.5779 29.47936 156.0601 27.70216 156.5422 25.38948 157.0243 24.21048 157.5064 25.91240 157.9885 27.42678 158.4706 27.78322 158.9528 26.80510 159.4349 25.78515 159.9170 24.56911 160.3991 23.62918 160.8812 23.51113 161.3633 23.90359 161.8455 25.52614 162.3276 29.91256 162.8097 38.29673 163.2918 43.58573 163.7739 40.15883 164.2560 31.91127 164.7382 25.33424 165.2203 23.38831 165.7024 24.32391 166.1845 27.84517 166.6666 35.16895 167.1487 40.82817 167.6309 40.60603 168.1130 36.60508 168.5951 33.25481 169.0772 33.85101 169.5593 35.31922 170.0414 34.70522 170.5236 30.50297 171.0057 26.51926 171.4878 26.44283 171.9699 29.05209 172.4520 30.57227 172.9341 27.55092 173.4163 22.80531 173.8984 19.66525 174.3805 19.15559 174.8626 19.89463 175.3447 21.02957 175.8268 22.43111 176.3090 23.42677 176.7911 23.50480 177.2732 22.88940 177.7553 21.85875 178.2374 20.20393 178.7195 18.52073 179.2017 17.43120 179.6838 16.96160 180.1659 17.16002 180.6480 18.73450 181.1301 21.01556 181.6122 22.40044 182.0944 21.88466 182.5765 20.62425 183.0586 21.06678 183.5407 23.17821 184.0228 24.75332 184.5049 23.13869 184.9871 19.14825 185.4692 15.81217 185.9513 14.67387 186.4334 14.57289 186.9155 12.34179 187.3976 7.819515 187.8798 3.159523 188.3619 0.3240360 188.8440 2.447247 189.3261 1.514545 189.8082 5.701866 190.2903 16.37091 190.7725 19.15419 191.2546 13.01103 191.7367 4.695507 192.2188 1.996433 192.7009 4.632721 193.1830 7.995224 193.6652 11.35144 194.1473 14.32627 194.6294 13.35001 195.1115 7.438396 195.5936 0.8589440 196.0757 0.1030160 196.5579 5.413132 197.0400 9.860104 197.5221 9.827881 198.0042 5.763184 198.4863 4.579403 198.9684 6.904675 199.4506 10.60931 199.9327 12.77329 200.4148 13.38474 200.8969 12.79216 201.3790 10.15699 201.8611 5.319908 202.3433 4.148186 202.8254 7.992451 203.3075 13.34900 203.7896 13.59425 204.2717 7.696609 204.7538 2.006268 205.2360 0.6835590 205.7181 7.4813999E-02 206.2002 0.8577350 206.6823 2.323410 207.1644 3.862087 207.6465 4.565117 208.1287 4.266800 208.6108 3.701015 209.0929 3.182995 209.5750 2.750767 210.0571 2.059803 210.5392 0.8315730 211.0214 0.4107020 211.5035 0.4418490 211.9856 1.102917 212.4677 2.837234 212.9498 4.193630 213.4319 5.131096 213.9140 5.751087 214.3962 5.831211 214.8783 5.741966 215.3604 6.680237 215.8425 9.629036 216.3246 11.42100 216.8067 10.13642 217.2889 4.353958 217.7710 0.5240900 218.2531 1.302059 218.7352 1.359428 219.2173 0.5989340 219.6994 6.392277 220.1816 11.01244 220.6637 11.84538 221.1458 7.083458 221.6279 3.702496 222.1100 1.841869 222.5921 1.378254 223.0743 2.256142 223.5564 5.485355 224.0385 8.327896 224.5206 9.335976 225.0027 7.142315 225.4848 5.830845 225.9670 5.828068 226.4491 6.801674 226.9312 8.008713 227.4133 9.861111 227.8954 11.54498 228.3775 12.45009 228.8597 12.06161 229.3418 11.63736 229.8239 10.87656 230.3060 10.18732 230.7881 11.06844 231.2702 15.15030 231.7524 18.16676 232.2345 17.98611 232.7166 12.61839 233.1987 8.645061 233.6808 6.070282 234.1629 4.912106 234.6451 5.508877 235.1272 9.344090 235.6093 12.75336 236.0914 13.87666 236.5735 11.43526 237.0556 9.746117 237.5378 8.958656 238.0199 8.879944 238.5020 9.124638 238.9841 10.17681 239.4662 10.84448 239.9483 10.47276 240.4305 8.245461 240.9126 6.938557 241.3947 6.907307 241.8768 7.682011 242.3589 7.996372 242.8410 7.093575 243.3232 6.886929 243.8053 8.565571 244.2874 14.02691 244.7695 16.57735 245.2516 14.69772 245.7337 10.52417 246.2159 8.938229 246.6980 11.25615 247.1801 14.05972 247.6622 16.01945 248.1443 16.77422 248.6264 17.74804 249.1086 19.64569 249.5907 21.43557 250.0728 20.62836 250.5549 15.23126 251.0370 10.58671 251.5191 8.765411 252.0013 10.40240 252.4834 13.05994 252.9655 18.01111 253.4476 23.19919 253.9297 24.26858 254.4118 18.62657 254.8940 13.72190 255.3761 12.82213 255.8582 17.72023 256.3403 19.14980 256.8224 15.55723 257.3046 9.697578 257.7867 6.100418 258.2688 5.037106 258.7509 5.661324 259.2330 8.541023 259.7151 14.70323 260.1973 16.78227 260.6794 12.95568 261.1615 6.790855 261.6436 3.564922 262.1257 4.042366 262.6078 5.582813 263.0900 7.909927 263.5721 11.35389 264.0542 12.39358 264.5363 9.989807 265.0184 6.434605 265.5005 4.613415 265.9827 4.954060 266.4648 5.872784 266.9469 7.262203 267.4290 9.156204 267.9111 9.711891 268.3932 8.536430 268.8754 6.615540 269.3575 4.930111 269.8396 3.375065 270.3217 2.441071 270.8038 2.467110 271.2859 3.380043 271.7681 3.719074 272.2502 3.410442 272.7323 2.684921 273.2144 1.721260 273.6965 0.4702030 274.1786 0.8393170 274.6608 2.479561 275.1429 4.216255 275.6250 4.131107 276.1071 1.789047 276.5892 1.051266 277.0714 2.756351 277.5535 3.206959 278.0356 3.430920 278.5177 3.473038 278.9998 3.467163 279.4819 4.416691 279.9641 6.777512 280.4462 8.231972 280.9283 5.755199 281.4104 0.8470990 281.8925 4.261929 282.3746 2.381718 282.8568 2.637810 283.3389 4.606331 283.8210 3.256687 284.3031 0.9257810 284.7852 1.558701 285.2673 4.059532 285.7495 3.951736 286.2316 5.439913 286.7137 5.419441 287.1958 6.407494 287.6779 2.853157 288.1600 0.6661870 288.6422 1.120773 289.1243 1.118515 289.6064 3.573284 290.0885 6.330990 290.5706 8.589371 291.0527 8.727497 291.5349 6.863731 292.0170 4.716152 292.4991 2.096634 292.9812 0.2230760 293.4633 1.571377 293.9454 8.479046 294.4276 16.12954 294.9097 18.30027 295.3918 15.82413 295.8739 12.97505 296.3560 11.53938 296.8381 11.23938 297.3203 11.86264 297.8024 13.53241 298.2845 14.89860 298.7666 13.86878 299.2487 11.23535 299.7308 9.403255 300.2130 9.783211 300.6951 11.41380 301.1772 13.11543 301.6593 14.88296 302.1414 15.92074 302.6235 14.20173 303.1057 11.29116 303.5878 10.46363 304.0699 14.21726 304.5520 19.45247 305.0341 22.87949 305.5162 24.57465 305.9984 25.25379 306.4805 24.39545 306.9626 23.08943 307.4447 22.94457 307.9268 24.93979 308.4089 27.49616 308.8911 29.35247 309.3732 30.61275 309.8553 31.70698 310.3374 33.07572 310.8195 34.31989 311.3016 34.76239 311.7838 33.48371 312.2659 33.05423 312.7480 35.96702 313.2301 41.09455 313.7122 45.68823 314.1943 47.98874 314.6765 49.64445 315.1586 51.91442 315.6407 55.20596 316.1228 58.28214 316.6049 59.43219 317.0870 60.13274 317.5692 62.72516 318.0513 69.82116 318.5334 77.62180 319.0155 84.22179 319.4976 89.37312 319.9797 94.74645 320.4619 100.8974 320.9440 107.5269 321.4261 114.2236 321.9082 120.3895 322.3903 127.0402 322.8724 135.1720 323.3546 144.8406 323.8367 153.2302 324.3188 158.1842 324.8009 162.5724 325.2830 168.5265 325.7651 177.4741 326.2473 186.7648 326.7294 196.5867 327.2115 206.6570 327.6936 215.6341 328.1757 221.5138 328.6578 227.6194 329.1400 235.5964 329.6221 245.1795 330.1042 256.8949 330.5863 272.1231 331.0684 289.5895 331.5505 305.2777 332.0327 318.9076 332.5148 331.0987 332.9969 342.0850 333.4790 351.5314 333.9611 360.6720 334.4432 370.3022 334.9254 379.0556 335.4075 384.9753 335.8896 388.4174 336.3717 387.9492 336.8538 382.8030 337.3359 372.5580 337.8180 362.0763 338.3001 352.6280 338.7823 341.0604 339.2644 322.9308 339.7465 296.3320 340.2286 270.7546 340.7107 248.8832 341.1928 229.7853 341.6750 209.8159 342.1571 188.2634 342.6392 167.3430 343.1213 148.6576 343.6034 132.5116 344.0855 117.4907 344.5677 102.8935 345.0498 89.52139 345.5319 80.34313 346.0140 75.41501 346.4961 71.57177 346.9782 67.17519 347.4604 62.18609 347.9425 56.67863 348.4246 50.27446 348.9067 44.34913 349.3888 41.67771 349.8709 41.64122 350.3531 40.79895 350.8352 36.21355 351.3173 29.95195 351.7994 25.88158 352.2815 24.24883 352.7636 23.63303 353.2458 23.10257 353.7279 22.56553 354.2100 21.82775 354.6921 20.95393 355.1742 19.75429 355.6563 17.70906 356.1385 14.92184 356.6206 12.42846 357.1027 10.86594 357.5848 10.02533 358.0669 9.734859 358.5490 10.50605 359.0312 10.98797 359.5133 9.897091 359.9954 7.730125 360.4775 6.017452 360.9596 6.141289 361.4417 6.548355 361.9239 5.970734 362.4060 3.653320 362.8881 2.003502 363.3702 2.031776 363.8523 3.272690 364.3344 5.012173 364.8166 8.463421 365.2987 11.13142 365.7808 11.65133 366.2629 9.688816 366.7450 8.145119 367.2271 8.283001 367.7093 8.667530 368.1914 8.032703 368.6735 3.766045 369.1556 1.093708 369.6377 1.764935 370.1198 5.289474 370.6020 7.196846 371.0841 6.407269 371.5662 5.002884 372.0483 4.122643 372.5304 4.297722 373.0125 3.929649 373.4947 2.562202 373.9768 0.7879870 374.4589 0.1430400 374.9410 1.343750 375.4231 2.222630 375.9052 1.903198 376.3874 2.507222 376.8695 2.676221 377.3516 2.495884 377.8337 2.796204 378.3158 2.710693 378.7979 2.264423 379.2801 2.959577 379.7622 3.801569 380.2443 4.049763 380.7264 5.908672 381.2085 6.622444 381.6906 6.539707 382.1728 5.685257 382.6549 4.171520 383.1370 2.618618 383.6191 0.8307300 384.1012 0.4405020 384.5833 0.5852850 385.0655 3.619362 385.5476 6.411034 386.0297 7.911839 386.5118 8.247452 386.9939 7.082497 387.4760 4.082268 387.9582 1.806686 388.4403 4.001011 388.9224 8.669537 389.4045 11.65441 389.8866 9.856224 390.3687 6.772518 390.8509 5.234982 391.3330 4.831123 391.8151 4.278740 392.2972 1.535511 392.7793 1.199303 393.2614 1.658092 393.7436 2.769592 394.2257 6.698570 394.7078 7.551052 395.1899 6.129951 395.6720 4.541519 396.1541 2.850334 396.6363 1.623600 397.1184 1.124390 397.6005 1.416107 398.0826 2.323147 398.5647 5.132339 399.0468 8.098816 399.5290 9.105328 400.0111 5.182152 400.4932 2.342426 400.9753 2.011421 401.4574 4.180824 401.9395 5.735600 402.4217 6.591465 402.9038 6.938412 403.3859 6.704277 403.8680 5.086575 404.3501 4.980934 404.8322 7.437973 405.3144 11.12236 405.7965 12.19714 406.2786 9.983410 406.7607 7.446537 407.2428 5.932674 407.7249 5.473969 408.2071 4.620262 408.6892 3.103729 409.1713 1.954479 409.6534 2.926826 410.1355 5.892113 410.6176 8.349178 411.0998 9.772659 411.5819 10.10242 412.0640 8.397911 412.5461 4.778122 413.0282 1.909355 413.5103 2.915524 413.9925 6.040386 414.4746 7.430401 414.9567 6.008503 415.4388 4.069386 415.9209 4.042542 416.4030 5.371887 416.8852 6.674973 417.3673 6.809700 417.8494 6.908569 418.3315 8.485649 418.8136 11.64095 419.2957 13.62756 419.7779 12.01225 420.2600 8.823212 420.7421 6.117088 421.2242 3.782394 421.7063 2.864071 422.1884 4.896782 422.6706 8.935150 423.1527 10.99966 423.6348 8.486996 424.1169 5.136211 424.5990 2.493969 425.0811 0.6011350 425.5633 0.3406600 426.0454 0.1701090 426.5275 0.8717460 427.0096 2.619720 427.4917 6.273411 427.9738 8.820011 428.4560 9.400818 428.9381 8.107239 429.4202 6.774475 429.9023 4.959957 430.3844 3.940136 430.8665 5.542179 431.3487 10.74342 431.8308 12.05898 432.3129 7.606777 432.7950 0.5951580 433.2771 2.424534 433.7592 1.328094 434.2414 1.146214 434.7235 4.688988 435.2056 8.716625 435.6877 10.40976 436.1698 9.653652 436.6519 8.278725 437.1341 8.497307 437.6162 9.600872 438.0983 9.392872 438.5804 6.535618 439.0625 3.266308 439.5446 2.335983 440.0268 3.170544 440.5089 3.910244 440.9910 3.356911 441.4731 2.318741 441.9552 1.393360 442.4373 0.8464470 442.9195 0.4956050 443.4016 0.6220660 443.8837 1.042583 444.3658 1.534451 444.8479 1.829906 445.3300 2.435017 445.8122 4.203423 446.2943 6.831684 446.7764 7.472767 447.2585 2.817772 447.7406 1.702721 448.2227 3.196369 448.7049 0.7171290 449.1870 3.051308 449.6691 2.465649 450.1512 0.9566690 450.6333 1.901466 451.1154 7.249882 451.5976 11.25456 452.0797 11.76010 452.5618 9.065392 453.0439 7.635143 453.5260 7.885300 454.0081 8.432049 454.4903 8.258732 454.9724 7.368267 455.4545 5.974133 455.9366 3.838032 456.4187 1.773319 456.9008 1.454887 457.3830 2.689079 457.8651 3.985649 458.3472 4.385124 458.8293 4.465450 459.3114 5.729671 459.7935 8.153168 460.2757 9.848701 460.7578 8.007156 461.2399 4.866413 461.7220 3.763725 462.2041 6.819904 462.6862 9.939571 463.1684 10.32862 463.6505 8.731533 464.1326 7.006104 464.6147 5.395710 465.0968 4.268745 465.5789 3.983517 466.0611 4.663448 466.5432 5.319546 467.0253 5.929810 467.5074 6.339405 467.9895 6.409462 468.4716 5.415737 468.9538 5.012161 469.4359 5.535889 469.9180 6.712669 470.4001 7.761127 470.8822 8.943970 471.3643 9.500847 471.8465 8.877609 472.3286 6.890110 472.8107 5.760418 473.2928 5.716503 473.7749 6.001450 474.2570 5.635956 474.7392 4.628658 475.2213 4.174286 475.7034 4.666107 476.1855 5.694118 476.6676 6.937469 477.1497 8.252541 477.6319 8.285946 478.1140 4.018909 478.5961 1.364334 479.0782 1.666042 479.5603 3.849457 480.0424 9.723110 480.5246 11.96359 481.0067 11.65073 481.4888 10.29170 481.9709 7.495213 482.4530 4.781212 482.9352 2.306847 483.4173 0.3911440 483.8994 0.1619610 484.3815 4.354656 484.8636 8.417126 485.3457 9.822670 485.8279 7.468658 486.3100 6.024612 486.7921 6.877888 487.2742 8.261906 487.7563 8.631645 488.2384 7.484592 488.7206 6.095566 489.2027 4.140659 489.6848 2.114845 490.1669 2.175724 490.6490 5.062695 491.1311 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