#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:43:02 +0300 (Thu, 26 Apr 2018) $ #$Revision: 525 $ #$URL: svn://172.16.1.111/rod/cif/1/00/00/1000077.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_1000077 loop_ _publ_author_name 'McCammon, C. A.' _publ_section_title ; Static compression of alpha-MnS at 298 K to 21 GPa Sample: P = O GPa ; _journal_name_full 'Physics and Chemistry of Minerals' _journal_page_first 636 _journal_page_last 641 _journal_volume 17 _journal_year 1991 _chemical_compound_source R070174 _chemical_formula_sum 'Mn S' _chemical_name_mineral Alabandite _space_group_IT_number 225 _symmetry_space_group_name_Hall '-F 4 2 3' _symmetry_space_group_name_H-M 'F m -3 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 5.2245 _cell_length_b 5.2245 _cell_length_c 5.2245 _cell_volume 142.605 _exptl_crystal_density_diffrn 4.052 _cod_original_sg_symbol_H-M 'F m 3 m' _cod_database_code 9005930 _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 R070174.rod _rod_data_source.block 3500000 _rod_database.code 1000077 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 9005930 COD http://www.crystallography.net/cod/9005930.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 118.6021 0.0000000E+00 119.0842 1.9226000E-02 119.5663 0.1779790 120.0484 0.3746950 120.5305 5.8104999E-02 121.0126 0.2094120 121.4948 3.9059999E-03 121.9769 0.7331540 122.4590 1.720459 122.9411 2.839905 123.4232 4.030457 123.9053 4.994019 124.3875 5.479858 124.8696 5.642761 125.3517 5.889709 125.8338 6.156067 126.3159 6.692505 126.7980 7.630188 127.2802 8.947205 127.7623 10.49792 128.2444 12.35763 128.7265 14.60013 129.2086 16.32809 129.6907 17.22415 130.1729 17.72092 130.6550 17.91312 131.1371 17.84131 131.6192 17.55383 132.1013 17.07129 132.5834 16.11728 133.0656 15.52798 133.5477 15.41681 134.0298 15.57013 134.5119 15.95377 134.9940 16.57800 135.4761 17.24454 135.9583 17.42020 136.4404 16.59412 136.9225 15.83078 137.4046 15.12927 137.8867 14.50668 138.3688 14.02570 138.8510 13.69907 139.3331 13.52896 139.8152 13.47958 140.2973 13.58887 140.7794 13.59314 141.2615 13.48340 141.7437 13.25089 142.2258 12.72754 142.7079 11.71536 143.1900 10.48068 143.6721 9.589905 144.1542 9.312195 144.6364 9.100189 145.1185 8.263977 145.6006 6.625275 146.0827 5.254181 146.5648 5.000580 147.0469 5.271210 147.5291 5.468262 148.0112 5.258514 148.4933 4.885254 148.9754 4.818665 149.4575 5.297852 149.9396 5.683105 150.4218 5.746857 150.9039 5.667786 151.3860 5.619507 151.8681 5.543365 152.3502 5.466095 152.8323 5.943665 153.3145 7.625275 153.7966 9.056183 154.2787 10.16562 154.7608 10.97433 155.2429 11.45190 155.7250 12.04523 156.2072 12.83014 156.6893 13.49457 157.1714 14.00174 157.6535 14.43491 158.1356 14.71503 158.6177 14.82681 159.0999 14.78851 159.5820 14.34076 160.0641 13.37750 160.5462 12.59811 161.0283 11.83325 161.5104 11.39774 161.9926 11.66965 162.4747 12.70395 162.9568 13.86316 163.4389 14.38803 163.9210 14.32007 164.4031 14.48160 164.8853 15.33237 165.3674 16.40091 165.8495 16.93860 166.3316 16.72836 166.8137 16.29050 167.2958 16.03607 167.7780 15.94302 168.2601 16.01089 168.7422 16.57932 169.2243 17.39893 169.7064 17.36716 170.1885 15.78238 170.6707 14.04401 171.1528 13.04257 171.6349 12.69211 172.1170 12.55096 172.5991 12.38232 173.0812 12.19675 173.5634 11.75613 174.0455 10.87396 174.5276 9.836731 175.0097 8.611786 175.4918 7.280182 175.9739 6.090057 176.4561 5.647705 176.9382 5.915527 177.4203 5.927521 177.9024 5.390381 178.3845 4.847565 178.8666 4.681122 179.3488 4.892456 179.8309 5.137482 180.3130 4.960907 180.7951 4.109497 181.2772 3.283264 181.7593 2.553986 182.2415 1.968445 182.7236 1.539581 183.2057 1.243622 183.6878 1.068024 184.1699 1.059326 184.6520 1.330292 185.1342 1.570190 185.6163 1.838440 186.0984 2.094666 186.5805 2.193359 187.0626 2.048706 187.5447 1.879822 188.0269 2.205414 188.5090 3.227600 188.9911 3.934265 189.4732 3.676300 189.9553 3.031128 190.4374 3.095276 190.9196 4.332886 191.4017 5.936188 191.8838 6.777252 192.3659 6.903229 192.8480 6.959137 193.3301 7.083527 193.8123 7.182373 194.2944 7.183167 194.7765 7.058746 195.2586 6.908875 195.7407 6.737518 196.2228 6.541016 196.7050 6.558594 197.1871 7.202606 197.6692 8.433441 198.1513 9.229736 198.6334 9.016937 199.1155 8.610535 199.5977 8.526733 200.0798 8.803925 200.5619 9.260834 201.0440 9.670319 201.5261 9.979126 202.0082 10.62982 202.4904 12.13797 202.9725 13.68967 203.4546 14.79745 203.9367 15.44455 204.4188 16.04141 204.9009 17.20914 205.3831 19.32202 205.8652 20.82684 206.3473 21.35757 206.8294 21.56180 207.3115 21.62155 207.7936 21.65192 208.2758 21.85803 208.7579 22.62341 209.2400 24.54340 209.7221 25.66788 210.2042 25.33496 210.6863 24.80725 211.1685 24.92221 211.6506 25.85046 212.1327 27.24197 212.6148 28.65775 213.0969 30.39465 213.5790 31.40192 214.0612 31.12955 214.5433 30.52377 215.0254 30.22601 215.5075 30.41522 215.9896 31.03748 216.4717 32.08371 216.9539 33.93903 217.4360 35.26166 217.9181 35.59521 218.4002 35.60355 218.8823 36.06595 219.3644 37.17581 219.8466 38.29239 220.3287 38.46918 220.8108 37.54572 221.2929 36.63232 221.7750 35.60181 222.2571 34.76022 222.7393 34.61414 223.2214 35.33987 223.7035 36.33847 224.1856 36.93417 224.6677 37.16788 225.1498 37.16675 225.6320 36.75494 226.1141 36.17923 226.5962 35.97934 227.0783 36.43054 227.5604 36.69617 228.0425 35.77655 228.5247 33.91525 229.0068 31.91071 229.4889 29.72598 229.9710 27.65515 230.4531 26.59277 230.9352 27.22787 231.4174 27.59573 231.8995 25.98886 232.3816 22.93213 232.8637 19.76263 233.3458 17.08209 233.8279 14.77963 234.3101 12.40353 234.7922 9.768921 235.2743 7.442871 235.7564 5.783875 236.2385 4.613098 236.7206 3.569977 237.2028 2.397125 237.6849 1.195709 238.1670 0.5166020 238.6491 1.209991 239.1312 1.060303 239.6133 1.454254 240.0955 5.229065 240.5776 8.434845 241.0597 9.921082 241.5418 9.995911 242.0239 10.07581 242.5060 10.04742 242.9882 10.16537 243.4703 10.76349 243.9524 11.49133 244.4345 11.82245 244.9166 11.41595 245.3987 10.44235 245.8809 9.689758 246.3630 9.262604 246.8451 8.888580 247.3272 8.726044 247.8093 8.585327 248.2914 8.049347 248.7736 6.799561 249.2557 5.159454 249.7378 4.577637 250.2199 6.708832 250.7020 7.908173 251.1841 7.209686 251.6663 5.507751 252.1484 3.844879 252.6305 2.715271 253.1126 1.959778 253.5947 1.042969 254.0768 0.1530460 254.5590 1.386658 255.0411 2.798157 255.5232 4.230103 256.0053 5.448151 256.4874 6.327332 256.9695 7.015076 257.4517 7.886597 257.9338 8.751038 258.4159 10.12503 258.8980 12.39920 259.3801 15.01361 259.8622 17.46890 260.3444 19.59616 260.8265 21.43875 261.3086 23.06076 261.7907 24.21445 262.2728 25.52292 262.7549 27.08829 263.2371 28.77255 263.7192 30.25589 264.2013 31.48404 264.6834 32.98425 265.1655 35.65204 265.6476 40.31058 266.1298 44.12686 266.6119 46.46237 267.0940 48.27527 267.5761 50.38663 268.0582 52.97760 268.5403 55.80280 269.0225 58.59375 269.5046 61.33075 269.9867 64.14972 270.4688 67.43759 270.9509 70.56470 271.4330 72.73212 271.9152 73.90384 272.3973 75.12149 272.8794 77.38837 273.3615 80.82507 273.8436 84.22293 274.3257 87.52368 274.8079 90.82495 275.2900 94.15186 275.7721 97.52246 276.2542 100.9436 276.7363 104.4813 277.2184 108.0826 277.7006 111.5623 278.1827 114.7413 278.6648 117.9122 279.1469 121.3554 279.6290 125.0165 280.1111 128.4798 280.5933 131.3550 281.0754 133.8875 281.5575 136.9418 282.0396 140.7996 282.5217 144.8215 283.0038 148.6892 283.4860 152.4125 283.9681 156.0880 284.4502 159.7863 284.9323 163.4293 285.4144 166.8434 285.8965 169.8796 286.3787 173.0490 286.8608 176.7746 287.3429 180.8906 287.8250 184.8242 288.3071 188.3002 288.7892 191.6295 289.2714 195.3499 289.7535 199.5187 290.2356 203.5012 290.7177 207.0168 291.1998 210.1244 291.6819 213.0152 292.1641 215.7223 292.6462 218.2285 293.1283 220.4733 293.6104 222.4834 294.0925 224.4723 294.5746 226.4472 295.0568 228.4562 295.5389 230.6485 296.0210 233.1439 296.5031 235.6111 296.9852 237.5769 297.4673 239.0896 297.9495 240.5067 298.4316 242.3948 298.9137 244.2204 299.3958 244.9047 299.8779 244.1822 300.3600 243.4988 300.8422 243.9070 301.3243 244.9587 301.8064 246.0120 302.2885 247.3199 302.7706 248.3046 303.2527 247.9307 303.7349 246.0508 304.2170 244.6680 304.6991 245.2910 305.1812 246.6904 305.6633 247.1277 306.1454 246.1084 306.6276 244.9193 307.1097 244.9271 307.5918 245.9863 308.0739 246.2117 308.5560 244.6462 309.0381 242.4661 309.5203 241.0231 310.0024 240.3903 310.4845 239.8601 310.9666 238.9869 311.4487 237.8139 311.9308 236.5593 312.4130 235.2498 312.8951 233.8267 313.3772 231.9688 313.8593 229.8001 314.3414 228.3191 314.8235 228.7091 315.3057 230.1244 315.7878 230.3677 316.2699 229.1152 316.7520 227.0079 317.2341 224.1275 317.7162 220.7866 318.1984 217.6207 318.6805 214.8491 319.1626 212.4047 319.6447 210.2216 320.1268 208.3299 320.6089 206.5699 321.0911 204.8817 321.5732 203.2565 322.0553 201.7534 322.5374 200.5605 323.0195 199.1879 323.5016 197.0129 323.9838 194.0137 324.4659 191.0358 324.9480 188.3168 325.4301 185.8656 325.9122 183.7156 326.3943 181.8734 326.8765 180.1835 327.3586 178.6523 327.8407 177.2151 328.3228 175.5191 328.8049 173.3350 329.2870 171.0712 329.7692 169.3569 330.2513 168.1256 330.7334 166.4221 331.2155 163.2392 331.6976 159.3093 332.1797 156.4116 332.6619 154.9255 333.1440 153.9300 333.6261 152.7310 334.1082 151.4400 334.5903 150.3297 335.0724 149.5903 335.5546 149.0352 336.0367 148.5222 336.5188 148.0830 337.0009 147.3647 337.4830 145.7980 337.9651 143.9335 338.4473 142.8124 338.9294 142.7202 339.4115 143.1203 339.8936 143.8367 340.3757 144.7967 340.8578 145.3770 341.3400 145.0495 341.8221 144.5421 342.3042 144.9838 342.7863 146.4978 343.2684 148.1626 343.7505 149.6758 344.2327 151.0014 344.7148 151.9748 345.1969 152.4539 345.6790 152.8606 346.1611 153.5623 346.6432 154.5320 347.1254 156.0180 347.6075 158.2432 348.0896 160.9433 348.5717 164.0478 349.0538 167.5942 349.5359 170.6273 350.0181 172.1704 350.5002 172.5556 350.9823 173.4622 351.4644 175.1846 351.9465 177.2766 352.4286 179.7278 352.9108 182.3966 353.3929 184.6104 353.8750 185.9473 354.3571 186.7001 354.8392 187.6239 355.3214 188.8070 355.8035 189.9391 356.2856 191.1828 356.7677 192.2552 357.2498 192.5699 357.7319 191.8994 358.2141 190.6993 358.6962 189.4637 359.1783 188.1470 359.6604 187.1724 360.1425 187.0280 360.6246 186.9513 361.1068 186.1670 361.5889 184.6249 362.0710 182.9666 362.5531 181.8237 363.0352 181.1413 363.5173 179.5722 363.9995 176.0728 364.4816 172.7412 364.9637 170.4922 365.4458 169.2229 365.9279 168.6649 366.4100 168.7853 366.8922 169.3830 367.3743 169.7264 367.8564 169.2449 368.3385 169.1778 368.8206 169.7834 369.3027 170.8486 369.7849 172.2221 370.2670 173.8570 370.7491 175.6429 371.2312 177.3978 371.7133 178.9942 372.1954 180.9548 372.6776 183.2250 373.1597 185.8827 373.6418 189.1270 374.1239 192.7846 374.6060 196.3552 375.0881 199.4930 375.5703 202.2102 376.0524 204.6785 376.5345 207.5915 377.0166 209.4858 377.4987 209.8803 377.9808 209.1020 378.4630 207.5301 378.9451 205.3265 379.4272 202.6028 379.9093 199.6220 380.3914 196.2436 380.8735 192.8419 381.3557 190.4475 381.8378 187.4221 382.3199 182.1133 382.8020 174.5189 383.2841 166.3066 383.7662 159.4229 384.2484 154.1095 384.7305 148.3911 385.2126 141.9110 385.6947 135.2752 386.1768 128.4171 386.6589 121.5090 387.1411 114.8405 387.6232 108.5648 388.1053 102.6405 388.5874 96.93082 389.0695 91.32498 389.5516 86.21930 390.0338 81.76083 390.5159 77.68195 390.9980 73.78247 391.4801 69.99002 391.9622 66.34744 392.4443 62.94476 392.9265 59.84216 393.4086 56.57556 393.8907 52.93356 394.3728 49.27722 394.8549 45.75180 395.3370 42.38617 395.8192 39.26953 396.3013 36.44162 396.7834 33.90549 397.2655 31.72110 397.7476 29.95679 398.2297 28.38605 398.7119 26.80966 399.1940 25.34827 399.6761 24.27103 400.1582 23.80750 400.6403 23.41185 401.1224 22.40765 401.6046 20.80983 402.0867 19.50360 402.5688 19.00992 403.0509 18.65787 403.5330 17.40665 404.0151 15.22380 404.4973 13.64398 404.9794 14.00108 405.4615 15.19048 405.9436 15.22633 406.4257 13.81396 406.9078 11.91154 407.3900 10.00076 407.8721 8.227936 408.3542 7.160629 408.8363 7.867432 409.3184 8.365494 409.8005 6.772324 410.2827 3.780624 410.7648 1.981247 411.2469 2.754089 411.7290 4.863968 412.2111 5.512817 412.6932 4.313461 413.1754 2.949692 413.6575 1.321136 414.1396 0.1504360 414.6217 0.8676450 415.1038 0.7758180 415.5859 0.5340120 416.0681 0.8218380 416.5502 1.716415 417.0323 2.329559 417.5144 2.462479 417.9965 2.567566 418.4786 2.832382 418.9608 3.199356 419.4429 3.588547 419.9250 3.968048 420.4071 4.262405 420.8892 4.242737 421.3713 3.568451 421.8535 3.066711 422.3356 2.560791 422.8177 2.361893 423.2998 2.962753 423.7819 4.271896 424.2640 5.507111 424.7462 5.814545 425.2283 5.129868 425.7104 4.525803 426.1925 3.807175 426.6746 3.408493 427.1567 3.650101 427.6389 4.245026 428.1210 4.744919 428.6031 4.929443 429.0852 4.944946 429.5673 5.194748 430.0494 5.914719 430.5316 6.043289 431.0137 4.513824 431.4958 2.848083 431.9779 2.048508 432.4600 2.156815 432.9421 2.500504 433.4243 2.576294 433.9064 2.466766 434.3885 2.590302 434.8706 3.115814 435.3527 3.533157 435.8348 3.550003 436.3170 3.239807 436.7991 2.636505 437.2812 1.495926 437.7633 0.4172970 438.2454 5.3099999E-03 438.7275 0.1935730 439.2097 0.5531160 439.6918 1.059189 440.1739 1.483994 440.6560 1.353012 441.1381 0.6105500 441.6202 0.1322170 442.1024 0.5609280 442.5845 1.162933 443.0666 1.010422 443.5487 5.2719001E-02 444.0308 1.078735 444.5129 1.980042 444.9951 2.647766 445.4772 3.055099 445.9593 3.073151 446.4414 2.994690 446.9235 2.788437 447.4056 2.643234 447.8878 2.775818 448.3699 3.188904 448.8520 3.738403 449.3341 4.293335 449.8162 4.968353 450.2983 5.468201 450.7805 5.693390 451.2626 5.819275 451.7447 5.886444 452.2268 5.943512 452.7089 6.077026 453.1910 6.368698 453.6732 6.768723 454.1553 7.003815 454.6374 6.906998 455.1195 6.807785 455.6016 6.650269 456.0837 6.634018 456.5659 7.036636 457.0480 7.843994 457.5301 8.603302 458.0122 8.697662 458.4943 8.159805 458.9764 8.159851 459.4586 9.109879 459.9407 10.04260 460.4228 10.48735 460.9049 10.56738 461.3870 10.44778 461.8691 10.03964 462.3513 9.697739 462.8334 9.974594 463.3155 10.84303 463.7976 11.57663 464.2797 11.91855 464.7618 12.06581 465.2440 12.21237 465.7261 12.34891 466.2082 12.65477 466.6903 13.48671 467.1724 14.36232 467.6545 14.52751 468.1367 13.97693 468.6188 13.58331 469.1009 14.03018 469.5830 15.08542 470.0651 15.56136 470.5472 14.78281 471.0294 14.35663 471.5115 15.03746 471.9936 16.14742 472.4757 16.80246 472.9578 16.79634 473.4399 16.55759 473.9221 16.59280 474.4042 16.95631 474.8863 17.19974 475.3684 17.38403 475.8505 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