#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:28:45 +0300 (Thu, 26 Apr 2018) $ #$Revision: 479 $ #$URL: svn://172.16.1.111/rod/cif/1/00/00/1000036.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_1000036 loop_ _publ_author_name 'Morgenstern-Badarau I' _publ_section_title ; Effet Jahn-Teller et structure cristalline de l'hydroxyde CuSn(OH)6 ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 399 _journal_page_last 406 _journal_paper_doi 10.1016/S0022-4596(76)80010-2 _journal_volume 17 _journal_year 1976 _chemical_compound_source R060153 _chemical_formula_sum 'Cu H6 O6 Sn' _chemical_name_mineral Mushistonite _space_group_IT_number 134 _symmetry_space_group_name_Hall '-P 4ac 2bc' _symmetry_space_group_name_H-M 'P 42/n n m :2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 7.586 _cell_length_b 7.586 _cell_length_c 8.103 _cell_volume 466.307 _exptl_crystal_density_diffrn 4.050 _cod_original_sg_symbol_H-M 'P 42/n n m' _cod_original_formula_sum 'Cu Sn (O6 H6)' _cod_database_code 9009750 _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 R060153.rod _rod_data_source.block 3500000 _rod_database.code 1000036 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 9009750 COD http://www.crystallography.net/cod/9009750.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 94.45264 0.0000000E+00 94.93475 0.9831540 95.41687 0.2078860 95.89898 8.3861999E-02 96.38110 2.190918 96.86321 5.926880 97.34533 9.422363 97.82745 8.748291 98.30956 7.811890 98.79168 7.419189 99.27380 6.882446 99.75591 5.422363 100.2380 3.547974 100.7201 1.898438 101.2023 1.443115 101.6844 2.355225 102.1665 3.289795 102.6486 2.954102 103.1307 3.179321 103.6128 5.849976 104.0950 11.06104 104.5771 17.07324 105.0592 21.85413 105.5413 26.13757 106.0234 31.31506 106.5055 37.90320 106.9877 45.79895 107.4698 54.63123 107.9519 64.99719 108.4340 75.62939 108.9161 86.12158 109.3982 96.56641 109.8804 107.0278 110.3625 117.3129 110.8446 126.9987 111.3267 138.1038 111.8088 150.2789 112.2909 163.7323 112.7731 178.8245 113.2552 195.4535 113.7373 213.1301 114.2194 231.0850 114.7015 249.1443 115.1836 268.1674 115.6658 288.9681 116.1479 310.3253 116.6300 330.9344 117.1121 350.3276 117.5942 369.1854 118.0763 389.3019 118.5584 411.8425 119.0406 434.3325 119.5227 456.3801 120.0048 477.7236 120.4869 497.8174 120.9690 515.4862 121.4511 532.1467 121.9333 551.1498 122.4154 574.4266 122.8975 599.1165 123.3796 621.4529 123.8617 639.7458 124.3438 655.9075 124.8260 671.1440 125.3081 684.0474 125.7902 693.3289 126.2723 697.7980 126.7544 698.6062 127.2365 698.6957 127.7187 698.8271 128.2008 696.0123 128.6829 689.6584 129.1650 680.5439 129.6471 669.5330 130.1292 656.9565 130.6114 642.7830 131.0935 627.5186 131.5756 611.9089 132.0577 594.5776 132.5398 574.7772 133.0219 552.9390 133.5041 530.1616 133.9862 507.2679 134.4683 484.1691 134.9504 460.5977 135.4325 436.1477 135.9146 411.6669 136.3968 387.6279 136.8789 364.1220 137.3610 341.0058 137.8431 318.3132 138.3252 295.8207 138.8073 274.8784 139.2895 256.1864 139.7716 238.7251 140.2537 221.3120 140.7358 203.8004 141.2179 186.4606 141.7000 169.7603 142.1821 153.6521 142.6643 138.1104 143.1464 122.6643 143.6285 107.6746 144.1106 94.42029 144.5927 83.85498 145.0748 74.57654 145.5570 64.97833 146.0391 55.10217 146.5212 45.77539 147.0033 37.66235 147.4854 30.80139 147.9675 24.91046 148.4497 20.77600 148.9318 16.96429 149.4139 12.73773 149.8960 7.982422 150.3781 2.949158 150.8602 1.928955 151.3424 6.888245 151.8245 11.27698 152.3066 12.14874 152.7887 12.58606 153.2708 12.73157 153.7529 12.58771 154.2351 12.15668 154.7172 11.40668 155.1993 9.721741 155.6814 8.427246 156.1635 7.884155 156.6456 7.685059 157.1278 7.280029 157.6099 6.388550 158.0920 5.163940 158.5741 4.256348 159.0562 3.939148 159.5383 3.590881 160.0205 3.217041 160.5026 2.724365 160.9847 1.836304 161.4668 0.2742920 161.9489 1.817078 162.4310 3.699280 162.9131 5.468201 163.3953 6.973328 163.8774 8.023987 164.3595 8.665405 164.8416 9.308411 165.3237 10.00775 165.8058 10.93469 166.2880 12.44196 166.7701 14.99323 167.2522 17.78876 167.7343 19.84540 168.2164 21.00940 168.6985 22.18585 169.1807 24.03308 169.6628 26.19086 170.1449 28.24054 170.6270 30.05164 171.1091 31.66138 171.5912 33.12781 172.0734 34.37933 172.5555 35.60754 173.0376 36.74823 173.5197 37.91821 174.0018 39.32800 174.4839 41.22955 174.9661 43.46515 175.4482 45.05267 175.9303 45.22229 176.4124 45.57837 176.8945 46.37054 177.3766 47.65808 177.8588 49.59625 178.3409 52.42700 178.8230 56.16229 179.3051 58.87927 179.7872 59.56592 180.2693 60.22552 180.7515 61.63373 181.2336 63.53979 181.7157 65.19733 182.1978 65.93121 182.6799 65.62201 183.1620 65.54688 183.6441 65.35028 184.1263 65.60559 184.6084 66.95447 185.0905 69.20557 185.5726 71.38837 186.0547 72.57397 186.5368 72.59174 187.0190 72.89655 187.5011 73.75000 187.9832 74.70996 188.4653 75.49011 188.9474 76.06250 189.4296 76.47491 189.9117 76.66675 190.3938 76.66766 190.8759 76.98590 191.3580 77.93884 191.8401 79.12683 192.3223 80.17480 192.8044 81.06805 193.2865 81.67053 193.7686 81.37714 194.2507 80.53491 194.7328 80.40253 195.2150 81.96814 195.6971 84.39972 196.1792 85.98053 196.6613 86.29120 197.1434 86.35553 197.6255 86.84082 198.1077 87.66406 198.5898 88.68677 199.0719 90.27020 199.5540 92.06403 200.0361 92.56665 200.5182 90.80951 201.0004 89.03998 201.4825 88.43414 201.9646 88.76086 202.4467 89.44568 202.9288 90.30518 203.4109 91.26709 203.8930 91.58441 204.3752 90.66663 204.8573 89.69214 205.3394 89.37677 205.8215 89.41541 206.3036 89.02875 206.7857 87.37177 207.2679 84.31140 207.7500 81.97198 208.2321 80.82690 208.7142 79.84595 209.1963 79.09277 209.6784 78.33453 210.1606 77.21417 210.6427 75.18726 211.1248 72.11993 211.6069 69.56494 212.0890 67.91241 212.5711 66.40649 213.0533 64.84766 213.5354 63.19830 214.0175 61.51666 214.4996 59.89758 214.9817 58.40405 215.4638 56.62408 215.9460 54.15271 216.4281 51.84589 216.9102 50.21204 217.3923 49.17719 217.8744 48.22083 218.3565 46.85718 218.8387 45.03741 219.3208 43.56213 219.8029 42.96851 220.2850 42.27423 220.7671 40.65985 221.2492 38.18481 221.7314 35.71545 222.2135 33.97906 222.6956 33.05499 223.1777 32.24298 223.6598 31.56763 224.1419 31.00037 224.6240 30.60901 225.1062 30.37933 225.5883 30.05988 226.0704 29.38794 226.5525 28.41394 227.0346 27.59668 227.5167 27.47491 227.9989 27.20807 228.4810 25.60822 228.9631 22.56897 229.4452 19.97650 229.9273 19.72693 230.4094 21.01215 230.8916 21.55554 231.3737 20.42706 231.8558 18.70740 232.3379 17.53638 232.8200 16.94305 233.3021 16.71448 233.7843 17.06976 234.2664 17.63800 234.7485 17.82617 235.2306 17.33118 235.7127 16.53424 236.1948 15.99066 236.6770 15.78662 237.1591 15.44592 237.6412 14.42072 238.1233 13.20612 238.6054 12.40778 239.0875 12.36536 239.5697 12.59912 240.0518 12.20428 240.5339 10.85687 241.0160 9.922607 241.4981 10.55646 241.9802 11.58325 242.4624 11.77362 242.9445 10.56665 243.4266 8.811890 243.9087 7.996338 244.3908 8.419250 244.8729 8.966797 245.3550 9.533752 245.8372 9.979858 246.3193 10.15967 246.8014 10.01904 247.2835 9.646790 247.7656 9.181458 248.2477 8.586609 248.7299 7.974976 249.2120 7.165039 249.6941 6.466675 250.1762 6.232727 250.6583 6.553467 251.1404 7.041931 251.6226 7.083374 252.1047 6.644653 252.5868 5.777954 253.0689 3.762268 253.5510 1.878662 254.0331 1.196350 254.5153 1.915771 254.9974 3.239990 255.4795 3.972839 255.9616 3.848877 256.4437 3.672424 256.9258 3.356384 257.4080 3.088867 257.8901 3.024292 258.3722 3.163940 258.8543 3.364990 259.3364 3.401062 259.8185 3.045410 260.3007 3.147949 260.7828 4.125305 261.2649 5.148804 261.7470 5.561829 262.2291 5.379517 262.7112 5.200195 263.1934 5.762024 263.6755 7.371887 264.1576 8.618835 264.6397 9.319702 265.1218 9.869141 265.6039 10.39264 266.0861 10.95380 266.5682 11.63849 267.0503 12.54126 267.5324 13.69263 268.0145 14.88184 268.4966 16.13849 268.9788 17.38934 269.4609 18.58917 269.9430 19.75012 270.4251 20.90680 270.9072 22.08185 271.3893 23.26349 271.8715 24.53809 272.3536 25.69281 272.8357 27.11926 273.3178 29.15784 273.7999 31.62390 274.2820 34.02167 274.7642 36.01422 275.2463 37.63971 275.7284 39.28241 276.2105 40.66046 276.6926 42.34216 277.1747 44.79510 277.6568 47.71606 278.1389 50.40369 278.6211 52.45801 279.1032 54.00909 279.5853 55.63434 280.0674 56.91827 280.5495 58.74377 281.0316 61.82001 281.5138 65.53430 281.9959 68.75848 282.4780 70.96594 282.9601 72.55353 283.4422 74.48083 283.9243 76.95209 284.4065 79.33765 284.8886 81.25629 285.3707 83.08447 285.8528 85.46442 286.3349 88.65161 286.8170 92.15063 287.2992 95.16522 287.7813 97.60437 288.2634 99.94366 288.7455 102.1387 289.2276 104.2897 289.7097 106.5452 290.1919 108.9481 290.6740 111.3204 291.1561 113.3779 291.6382 115.0286 292.1203 117.0971 292.6024 120.1888 293.0846 123.4286 293.5667 126.0029 294.0488 127.8133 294.5309 129.0959 295.0130 129.9073 295.4951 130.2460 295.9773 130.9188 296.4594 132.2385 296.9415 133.6916 297.4236 135.0427 297.9057 136.2318 298.3878 136.9427 298.8700 136.7839 299.3521 135.9053 299.8342 135.4502 300.3163 136.1047 300.7984 136.5564 301.2805 136.0156 301.7627 134.5899 302.2448 132.8097 302.7269 130.9559 303.2090 128.8924 303.6911 126.1907 304.1732 122.1069 304.6554 118.6143 305.1375 117.2161 305.6196 117.1273 306.1017 116.3229 306.5838 114.0306 307.0659 110.7013 307.5481 106.9915 308.0302 102.6537 308.5123 98.89081 308.9944 96.43634 309.4765 94.74530 309.9586 93.05573 310.4408 91.26306 310.9229 89.08386 311.4050 85.81903 311.8871 81.38580 312.3692 77.67212 312.8513 75.47662 313.3335 73.99335 313.8156 72.19855 314.2977 69.93597 314.7798 67.79504 315.2619 66.53113 315.7440 66.03308 316.2262 64.77466 316.7083 61.92609 317.1904 58.76965 317.6725 56.39728 318.1546 54.79645 318.6367 53.28943 319.1188 51.29346 319.6010 49.06537 320.0831 47.64722 320.5652 47.70770 321.0473 47.87744 321.5294 47.54761 322.0115 46.74908 322.4937 45.49884 322.9758 43.71344 323.4579 41.57458 323.9400 39.57306 324.4221 37.53168 324.9042 36.01929 325.3864 35.44604 325.8685 35.43268 326.3506 35.33014 326.8327 34.94318 327.3148 34.45190 327.7969 34.11255 328.2791 33.93024 328.7612 33.88177 329.2433 34.21228 329.7254 34.56409 330.2075 34.46790 330.6896 33.83887 331.1718 33.01526 331.6539 32.26495 332.1360 31.58588 332.6181 31.07190 333.1002 30.70374 333.5823 30.56012 334.0645 30.73358 334.5466 31.22131 335.0287 31.92920 335.5108 32.88641 335.9929 33.97919 336.4750 34.51666 336.9572 34.08289 337.4393 33.51300 337.9214 33.11609 338.4035 32.89404 338.8856 32.82745 339.3677 32.91895 339.8499 33.06653 340.3320 32.99713 340.8141 32.41406 341.2962 32.26031 341.7783 33.10291 342.2604 34.23657 342.7426 34.76007 343.2247 34.43939 343.7068 33.76355 344.1889 33.39508 344.6710 33.49561 345.1531 33.47406 345.6353 33.36005 346.1174 33.11139 346.5995 32.63171 347.0816 31.95709 347.5637 31.26599 348.0458 30.72650 348.5280 30.32147 349.0101 29.92847 349.4922 29.53394 349.9743 29.17493 350.4564 28.80896 350.9385 28.51294 351.4207 28.49402 351.9028 28.91754 352.3849 29.59338 352.8670 29.61041 353.3491 28.13977 353.8312 27.11475 354.3134 27.45197 354.7955 28.13251 355.2776 27.58411 355.7597 25.26123 356.2418 22.41907 356.7239 21.29504 357.2061 23.26587 357.6882 24.35626 358.1703 24.05530 358.6524 23.30658 359.1345 22.68988 359.6166 22.30597 360.0987 22.01001 360.5808 21.63257 361.0630 21.13672 361.5451 20.67413 362.0272 20.29102 362.5093 19.85931 362.9914 19.44598 363.4735 18.99182 363.9557 18.37946 364.4378 17.51813 364.9199 16.45398 365.4020 15.39368 365.8841 14.20618 366.3662 13.22339 366.8484 12.62360 367.3305 12.25073 367.8126 11.87469 368.2947 11.39557 368.7768 10.89490 369.2589 10.56049 369.7411 10.55652 370.2232 10.37695 370.7053 10.25092 371.1874 9.749634 371.6695 8.184448 372.1516 5.843201 372.6338 3.843018 373.1159 3.323608 373.5980 4.243286 374.0801 4.791870 374.5622 4.979004 375.0443 4.738525 375.5265 3.625061 376.0086 2.146790 376.4907 1.152710 376.9728 1.115906 377.4549 1.579834 377.9370 1.453064 378.4192 0.4924930 378.9013 0.3434450 379.3834 0.8521730 379.8655 1.107056 380.3476 0.9721680 380.8297 0.4381100 381.3119 0.1041260 381.7940 0.8792110 382.2761 2.714966 382.7582 3.757690 383.2403 3.344666 383.7224 2.542480 384.2046 1.967712 384.6867 1.623291 385.1688 1.496704 385.6509 1.667480 386.1330 2.027893 386.6151 2.361084 387.0973 2.700378 387.5794 2.954956 388.0615 3.090393 388.5436 3.087708 389.0257 2.875122 389.5078 2.315765 389.9900 1.779022 390.4721 1.576233 390.9542 1.688934 391.4363 2.006256 391.9184 2.611816 392.4005 3.251495 392.8827 3.639191 393.3648 3.799408 393.8469 3.620819 394.3290 2.718384 394.8111 1.552734 395.2932 0.9084170 395.7754 0.9273380 396.2575 1.111115 396.7396 1.003021 397.2217 0.6420290 397.7038 0.5158690 398.1859 1.114777 398.6681 1.547180 399.1501 1.051605 399.6323 0.1524960 400.1144 1.205902 400.5965 1.624603 401.0786 1.701752 401.5607 2.348541 402.0428 4.152069 402.5250 5.405731 403.0071 5.657043 403.4892 5.273682 403.9713 4.474213 404.4534 3.366730 404.9355 2.369781 405.4177 2.009949 405.8998 2.456635 406.3819 2.761902 406.8640 2.913452 407.3461 2.959320 407.8282 2.669220 408.3104 2.281494 408.7925 2.482239 409.2746 3.800446 409.7567 5.790771 410.2388 6.394592 410.7209 4.329620 411.2031 2.452362 411.6852 0.5982060 412.1673 0.7562870 412.6494 0.9002690 413.1315 0.2302250 413.6136 1.697845 414.0958 2.205170 414.5779 1.458008 415.0600 0.9276120 415.5421 0.9115910 416.0242 0.8459170 416.5063 0.4090270 416.9885 0.2623900 417.4706 0.8064880 417.9527 1.004974 418.4348 0.9051820 418.9169 0.6174010 419.3990 6.6344999E-02 419.8812 0.4729000 420.3633 0.2076420 420.8454 0.3074650 421.3275 0.7245790 421.8096 0.9631350 422.2917 1.065338 422.7739 0.9434200 423.2560 0.6242980 423.7381 0.7297360 424.2202 1.816956 424.7023 2.694977 425.1844 2.239197 425.6666 0.7914120 426.1487 0.4118350 426.6308 0.7475890 427.1129 0.5895690 427.5950 0.4082030 428.0771 0.1947630 428.5593 0.1183470 429.0414 0.3466190 429.5235 0.7424010 430.0056 1.017609 430.4877 1.228516 430.9698 1.197723 431.4520 0.6185910 431.9341 0.2265320 432.4162 0.8084110 432.8983 0.9983220 433.3804 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