#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 16:33:34 +0300 (Thu, 24 May 2018) $ #$Revision: 891 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000369.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_1000369 loop_ _publ_author_name 'Fang, J. H.' 'Robinson, P. D.' _publ_section_title ; Alunogen, Al2(H2O)12(SO4)3.5H2O: Its atomic arrangement and water content ; _journal_name_full 'American Mineralogist' _journal_page_first 311 _journal_page_last 317 _journal_volume 61 _journal_year 1976 _chemical_compound_source R060015 _chemical_formula_sum 'Al2 H34 O29 S3' _chemical_name_mineral Alunogen _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 89.67 _cell_angle_beta 97.34 _cell_angle_gamma 91.53 _cell_formula_units_Z 2 _cell_length_a 7.420 _cell_length_b 26.970 _cell_length_c 6.062 _cell_volume 1202.739 _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 R060015.rod _rod_data_source.block 3500000 _rod_database.code 1000369 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 9000507 COD http://www.crystallography.net/cod/9000507.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 110.9020 0.0000000E+00 111.3842 6.2959999E-02 111.8663 4.3319999E-03 112.3484 4.6520000E-03 112.8305 3.2028001E-02 113.3126 8.3456002E-02 113.7947 0.1482350 114.2769 0.2227340 114.7590 0.3413430 115.2411 0.4358310 115.7232 0.4632530 116.2053 0.4353450 116.6874 0.4022350 117.1695 0.4141030 117.6517 0.4833620 118.1338 0.5539880 118.6159 0.6378750 119.0980 0.7158580 119.5801 0.7642750 120.0622 0.7763060 120.5444 0.7820130 121.0265 0.8266160 121.5086 0.9093040 121.9907 0.9948650 122.4728 1.090441 122.9549 1.182287 123.4371 1.229633 123.9192 1.199379 124.4013 1.147484 124.8834 1.133566 125.3655 1.157753 125.8476 1.205481 126.3298 1.273794 126.8119 1.364792 127.2940 1.447351 127.7761 1.536156 128.2582 1.598898 128.7404 1.596628 129.2225 1.518557 129.7046 1.418865 130.1867 1.401531 130.6688 1.552328 131.1509 1.621452 131.6331 1.519211 132.1152 1.358023 132.5973 1.242393 133.0794 1.223667 133.5615 1.278820 134.0436 1.316107 134.5258 1.309622 135.0079 1.309540 135.4900 1.314436 135.9721 1.331953 136.4542 1.382446 136.9363 1.481520 137.4184 1.626505 137.9006 1.690001 138.3827 1.641785 138.8648 1.559038 139.3469 1.472797 139.8290 1.385859 140.3111 1.287827 140.7933 1.165106 141.2754 1.021973 141.7575 0.9072900 142.2396 0.8202360 142.7217 0.7653220 143.2038 0.7763840 143.6860 0.8702750 144.1681 0.9484230 144.6502 0.8959560 145.1323 0.7616040 145.6144 0.6492230 146.0965 0.6206930 146.5787 0.6452050 147.0608 0.6386570 147.5429 0.5820960 148.0250 0.5104450 148.5071 0.4464780 148.9892 0.3738960 149.4714 0.3280770 149.9535 0.3750610 150.4356 0.5249670 150.9177 0.6146850 151.3998 0.5926230 151.8819 0.5731910 152.3641 0.6034430 152.8462 0.6434080 153.3283 0.6746080 153.8104 0.6677230 154.2925 0.5612450 154.7746 0.4913850 155.2568 0.4833600 155.7389 0.4867780 156.2210 0.4681470 156.7031 0.4040810 157.1852 0.3380360 157.6673 0.3312850 158.1495 0.4401040 158.6316 0.5135080 159.1137 0.5482940 159.5958 0.5537190 160.0779 0.5192930 160.5600 0.4419190 161.0422 0.3578930 161.5243 0.1800370 162.0064 0.3820650 162.4885 0.4922180 162.9706 0.5154590 163.4527 0.1899470 163.9349 0.3159120 164.4170 0.2617190 164.8991 0.2011110 165.3812 0.3920840 165.8633 0.1198940 166.3454 0.3081550 166.8276 0.3143710 167.3097 0.4053080 167.7918 0.3142800 168.2739 0.2795010 168.7560 0.4320140 169.2381 0.4836030 169.7203 0.3770710 170.2024 0.4801370 170.6845 0.2120440 171.1666 0.2708440 171.6487 0.4710600 172.1308 0.3777120 172.6130 0.4872890 173.0951 0.5204540 173.5772 0.2040820 174.0593 0.4972400 174.5414 0.5278570 175.0235 0.2888260 175.5057 0.5631030 175.9878 0.4601880 176.4699 0.5830840 176.9520 0.6542210 177.4341 0.6266820 177.9162 0.5335350 178.3984 0.4790970 178.8805 0.5304200 179.3626 0.5337330 179.8447 0.4215430 180.3268 0.2658620 180.8089 0.1591990 181.2911 0.1563070 181.7732 0.2350880 182.2553 0.2695690 182.7374 0.2067700 183.2195 0.1585160 183.7016 0.1711810 184.1838 0.2121200 184.6659 0.2141780 185.1480 0.1286220 185.6301 3.0245000E-02 186.1122 0.1121710 186.5943 6.2792003E-02 187.0765 1.1087000E-02 187.5586 4.4269999E-03 188.0407 3.6830999E-02 188.5228 8.6597003E-02 189.0049 0.1495530 189.4870 0.2156030 189.9692 0.2371710 190.4513 0.1756690 190.9334 0.1046940 191.4155 7.0251003E-02 191.8976 7.1980000E-02 192.3797 8.8506997E-02 192.8619 0.1220840 193.3440 0.1557160 193.8261 0.1439590 194.3082 2.5142999E-02 194.7903 0.1031970 195.2724 0.1224860 195.7546 1.7069001E-02 196.2367 9.1957003E-02 196.7188 0.1257250 197.2009 0.1149330 197.6830 9.3496002E-02 198.1651 6.8884000E-02 198.6473 4.0808000E-02 199.1294 3.0169999E-03 199.6115 5.6669001E-02 200.0936 9.4232999E-02 200.5757 5.1514000E-02 201.0578 1.5226000E-02 201.5400 2.7519001E-02 202.0221 7.1791001E-02 202.5042 0.2357790 202.9863 0.3245140 203.4684 0.2964500 203.9505 0.2544670 204.4327 0.2112460 204.9148 0.1812710 205.3969 0.1911830 205.8790 0.2668250 206.3611 0.3855190 206.8432 0.4296950 207.3254 0.2871780 207.8075 0.2032430 208.2896 0.2669300 208.7717 0.4153750 209.2538 0.5598700 209.7359 0.6458260 210.2181 0.6766780 210.7002 0.6811290 211.1823 0.6162450 211.6644 0.5684390 212.1465 0.5637650 212.6286 0.5874610 213.1108 0.6132070 213.5929 0.6238480 214.0750 0.6202740 214.5571 0.6162700 215.0392 0.5971620 215.5213 0.5923940 216.0035 0.6352730 216.4856 0.7004830 216.9677 0.7294370 217.4498 0.6765900 217.9319 0.5517880 218.4140 0.4868340 218.8961 0.5147040 219.3783 0.5533960 219.8604 0.5867770 220.3425 0.6085300 220.8246 0.6052320 221.3067 0.5617030 221.7888 0.4863550 222.2710 0.4308090 222.7531 0.3907870 223.2352 0.3721450 223.7173 0.3853950 224.1994 0.4265290 224.6815 0.4666210 225.1637 0.4906270 225.6458 0.4987070 226.1279 0.5013600 226.6100 0.4912430 227.0921 0.4837880 227.5742 0.4927850 228.0564 0.5170020 228.5385 0.5383110 229.0206 0.5476530 229.5027 0.5496270 229.9848 0.5551760 230.4669 0.5738160 230.9491 0.5849880 231.4312 0.5563090 231.9133 0.4892060 232.3954 0.4482670 232.8775 0.4803710 233.3596 0.5509760 233.8418 0.6170290 234.3239 0.6806720 234.8060 0.7233750 235.2881 0.7095090 235.7702 0.6304190 236.2523 0.5766740 236.7345 0.6087860 237.2166 0.6707670 237.6987 0.7212160 238.1808 0.7544210 238.6629 0.7615550 239.1451 0.7178040 239.6272 0.6091400 240.1093 0.5268120 240.5914 0.5045600 241.0735 0.5161820 241.5556 0.5585370 242.0378 0.6318020 242.5199 0.7055970 243.0020 0.7371100 243.4841 0.7112810 243.9662 0.6789420 244.4483 0.6586060 244.9305 0.6424980 245.4126 0.6172070 245.8947 0.5793760 246.3768 0.5442280 246.8589 0.5470920 247.3410 0.6225830 247.8232 0.6269000 248.3053 0.4536510 248.7874 0.2854190 249.2695 0.2589720 249.7516 0.3833050 250.2337 0.5369830 250.7159 0.5413530 251.1980 0.3074570 251.6801 0.1706120 252.1622 0.2049100 252.6443 0.2806930 253.1264 0.3288330 253.6086 0.3367540 254.0907 0.3233390 254.5728 0.3238790 255.0549 0.3510320 255.5370 0.3650630 256.0191 0.3762760 256.5013 0.3699000 256.9834 0.3091320 257.4655 0.2087940 257.9476 0.1375890 258.4297 0.1814980 258.9118 0.3852940 259.3940 0.5114170 259.8761 0.5389230 260.3582 0.5306320 260.8403 0.5112550 261.3224 0.4851990 261.8045 0.4452270 262.2867 0.3770770 262.7688 0.2661000 263.2509 0.2369380 263.7330 0.3562580 264.2151 0.4778520 264.6972 0.5394060 265.1794 0.5404010 265.6615 0.5047150 266.1436 0.4442730 266.6257 0.3558100 267.1078 0.3379590 267.5899 0.4549640 268.0721 0.5623890 268.5542 0.5887470 269.0363 0.5509530 269.5184 0.5083220 270.0005 0.5029200 270.4826 0.5312310 270.9648 0.5405640 271.4469 0.5194890 271.9290 0.4959350 272.4111 0.4739230 272.8932 0.4569930 273.3753 0.4529460 273.8575 0.4677260 274.3396 0.4979130 274.8217 0.5261800 275.3038 0.5449560 275.7859 0.5703070 276.2680 0.6175560 276.7502 0.6748520 277.2323 0.7142390 277.7144 0.7192480 278.1965 0.7041570 278.6786 0.7127440 279.1607 0.7535510 279.6429 0.7957420 280.1250 0.8283040 280.6071 0.8572920 281.0892 0.8993550 281.5713 0.9656750 282.0534 1.032841 282.5356 1.041224 283.0177 0.9646950 283.4998 0.9280510 283.9819 1.000051 284.4640 1.120996 284.9461 1.197037 285.4283 1.200146 285.9104 1.169434 286.3925 1.156631 286.8746 1.162577 287.3567 1.168621 287.8388 1.162788 288.3210 1.157959 288.8031 1.170427 289.2852 1.203197 289.7673 1.253693 290.2494 1.336449 290.7315 1.448433 291.2137 1.516911 291.6958 1.498281 292.1779 1.448822 292.6600 1.416830 293.1421 1.406282 293.6242 1.437464 294.1064 1.563444 294.5885 1.755228 295.0706 1.858603 295.5527 1.780190 296.0348 1.662210 296.5169 1.636927 296.9991 1.703337 297.4812 1.764004 297.9633 1.743162 298.4454 1.677736 298.9275 1.677422 299.4096 1.796692 299.8918 1.922230 300.3739 1.967253 300.8560 1.942696 301.3381 1.921663 301.8202 1.940079 302.3023 1.977091 302.7845 1.986115 303.2666 1.950085 303.7487 1.925867 304.2308 1.964062 304.7129 2.047812 305.1950 2.115938 305.6772 2.153423 306.1593 2.161909 306.6414 2.136038 307.1235 2.070896 307.6056 2.020796 308.0877 2.019102 308.5699 2.041277 309.0520 2.037884 309.5341 1.998247 310.0162 1.949751 310.4983 1.914242 310.9804 1.887791 311.4626 1.871702 311.9447 1.896479 312.4268 1.929556 312.9089 1.903074 313.3910 1.796370 313.8731 1.689159 314.3553 1.658558 314.8374 1.682217 315.3195 1.691916 315.8016 1.667168 316.2837 1.635210 316.7658 1.621998 317.2480 1.625658 317.7301 1.626141 318.2122 1.609106 318.6943 1.582987 319.1764 1.568375 319.6585 1.582144 320.1407 1.585871 320.6228 1.545263 321.1049 1.466757 321.5870 1.385792 322.0691 1.308678 322.5512 1.241833 323.0334 1.201169 323.5155 1.197506 323.9976 1.189671 324.4797 1.143148 324.9618 1.071461 325.4439 1.024369 325.9261 1.019264 326.4082 1.038603 326.8903 1.060619 327.3724 1.085178 327.8545 1.113297 328.3366 1.172276 328.8188 1.228002 329.3009 1.207197 329.7830 1.084207 330.2651 0.9521060 330.7472 0.9095030 331.2293 0.9407630 331.7115 0.9649600 332.1936 0.9722870 332.6757 0.9631140 333.1578 0.9182660 333.6399 0.8374000 334.1220 0.7964040 334.6042 0.8746950 335.0863 1.030953 335.5684 1.104922 336.0505 1.042269 336.5326 0.9473350 337.0147 0.8755970 337.4969 0.8257000 337.9790 0.7935520 338.4611 0.7225750 338.9432 0.7731510 339.4253 0.7928560 339.9074 0.7833640 340.3896 0.6573700 340.8717 0.6816360 341.3538 0.6456010 341.8359 0.6070160 342.3180 0.6522270 342.8001 0.5428200 343.2822 0.5865620 343.7643 0.5690720 344.2465 0.5795000 344.7286 0.5292380 345.2107 0.4976320 345.6928 0.5265850 346.1749 0.5218950 346.6570 0.4643740 347.1392 0.4761480 347.6213 0.3638990 348.1034 0.3603470 348.5855 0.4036480 349.0676 0.3487940 349.5497 0.2904320 350.0319 0.3037220 350.5140 0.3203120 350.9961 0.3073550 351.4782 0.2750490 351.9603 0.2722960 352.4424 0.3375640 352.9246 0.3809760 353.4067 0.3713720 353.8888 0.3220040 354.3709 0.2490410 354.8530 0.1555960 355.3351 5.9370000E-02 355.8173 4.7399998E-03 356.2994 2.6861999E-02 356.7815 4.0316999E-02 357.2636 3.9411999E-02 357.7457 3.5677001E-02 358.2278 4.4518001E-02 358.7100 6.7098998E-02 359.1921 8.6562999E-02 359.6742 8.3828002E-02 360.1563 5.4862000E-02 360.6384 2.4052000E-02 361.1205 2.6813000E-02 361.6027 6.3167997E-02 362.0848 6.0936000E-02 362.5669 2.6546000E-02 363.0490 1.8532000E-02 363.5311 6.1159998E-02 364.0132 0.1007130 364.4954 0.1302360 364.9775 0.1673140 365.4596 0.1748390 365.9417 0.1089340 366.4238 1.9793000E-02 366.9059 1.7402999E-02 367.3881 2.7565001E-02 367.8702 0.1133280 368.3523 0.1536830 368.8344 0.1013510 369.3165 7.9392001E-02 369.7986 0.1139350 370.2808 0.1580350 370.7629 0.1797260 371.2450 0.1734960 371.7271 0.1485810 372.2092 0.1104470 372.6913 5.1741999E-02 373.1735 2.7031001E-02 373.6556 7.2899997E-02 374.1377 0.1139710 374.6198 0.1182660 375.1019 9.6965000E-02 375.5840 7.7184997E-02 376.0662 7.6814003E-02 376.5483 9.0879999E-02 377.0304 9.5247999E-02 377.5125 8.0418997E-02 377.9946 6.9220997E-02 378.4767 7.5971000E-02 378.9589 8.2644999E-02 379.4410 6.2967002E-02 379.9231 9.9360002E-03 380.4052 4.5586001E-02 380.8873 4.7646999E-02 381.3694 3.0009000E-02 381.8516 7.4670002E-02 382.3337 6.8130001E-02 382.8158 3.4848999E-02 383.2979 3.3202998E-02 383.7800 0.1235200 384.2621 0.1968150 384.7443 0.2182320 385.2264 0.1908610 385.7085 0.1495840 386.1906 6.7106999E-02 386.6727 1.2184000E-02 387.1548 2.0809000E-02 387.6370 6.8443999E-02 388.1191 0.1193120 388.6012 0.1594560 389.0833 0.1930780 389.5654 0.2244080 390.0475 0.2505650 390.5297 0.2878310 391.0118 0.3629880 391.4939 0.4382740 391.9760 0.4672720 392.4581 0.4424210 392.9402 0.2731110 393.4224 0.5221140 393.9045 0.6789310 394.3866 0.7485400 394.8687 0.4691250 395.3508 0.6408820 395.8329 0.6321170 396.3151 0.6161580 396.7972 0.8520150 397.2793 0.6244370 397.7614 0.8567300 398.2435 0.9057390 398.7256 1.038938 399.2078 0.9905160 399.6899 0.9984730 400.1720 1.188532 400.6541 1.278093 401.1362 1.209584 401.6183 1.349408 402.1005 1.117624 402.5826 1.212296 403.0647 1.447848 403.5468 1.389533 404.0289 1.533723 404.5110 1.600853 404.9932 1.318130 405.4753 1.644090 405.9574 1.706911 406.4395 1.499763 406.9216 1.805480 407.4037 1.635593 407.8859 1.635760 408.3680 1.763978 408.8501 1.759192 409.3322 1.964479 409.8143 1.967699 410.2964 1.953366 410.7786 2.018327 411.2607 1.859995 411.7428 2.116308 412.2249 2.089335 412.7070 2.202996 413.1891 2.347591 413.6713 2.245032 414.1534 2.400035 414.6355 2.153321 415.1176 2.242609 415.5997 2.296279 416.0818 2.564231 416.5640 2.318972 417.0461 2.397159 417.5282 2.613930 418.0103 2.594531 418.4924 2.523586 418.9745 2.491279 419.4567 2.541325 419.9388 2.640632 420.4209 2.754312 420.9030 2.865610 421.3851 2.956175 421.8672 2.976434 422.3494 2.882487 422.8315 2.833321 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