#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 14:00:41 +0300 (Thu, 26 Apr 2018) $ #$Revision: 596 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000135.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_1000135 loop_ _publ_author_name 'Ertl, A.' 'Dyar, M. D.' 'Hughes, J. M.' 'Brandstatter, F.' 'Gunter, M. E.' 'Prem, M.' 'Peterson, R. C.' _publ_section_title ; Pertlikite, a new tetragonal Mg-rich member of the voltaite group from Madeni Zakh, Iran Locality: Madeni Zakh, Iran ; _journal_name_full 'The Canadian Mineralogist' _journal_page_first 661 _journal_page_last 669 _journal_paper_doi 10.3749/canmin.46.3.661 _journal_volume 46 _journal_year 2008 _chemical_compound_source R110209 _chemical_formula_sum 'Al Fe4.47 H84 K2 Mg3.53 O66.252 S12' _chemical_name_mineral Pertlikite _space_group_IT_number 142 _symmetry_space_group_name_Hall '-I 4bd 2c' _symmetry_space_group_name_H-M 'I 41/a c d :2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 19.2080 _cell_length_b 19.2080 _cell_length_c 27.2158 _cell_volume 10041.195 _exptl_crystal_density_diffrn 2.606 _cod_original_cell_volume 10041.194 _cod_original_sg_symbol_H-M 'I 41/a c d' _cod_original_formula_sum 'S12 Fe4.47 Mg3.53 Al K2 O66.252 H84' _cod_database_code 9010669 _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 R110209.rod _rod_data_source.block 3500000 _rod_database.code 1000135 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 9010669 COD http://www.crystallography.net/cod/9010669.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 92.56775 0.0000000E+00 93.04987 13.22955 93.53198 34.52966 94.01410 48.65070 94.49622 54.64691 94.97833 55.22040 95.46045 52.56622 95.94257 46.45111 96.42468 41.56604 96.90680 39.66632 97.38892 38.06427 97.87103 36.18561 98.35315 32.97571 98.83527 28.01270 99.31738 23.42975 99.79950 19.52502 100.2816 15.98578 100.7637 13.24554 101.2458 10.34735 101.7280 7.046021 102.2101 3.607544 102.6922 0.6843260 103.1743 0.6668090 103.6564 0.7162480 104.1385 0.2834470 104.6207 0.5273440 105.1028 1.597046 105.5849 2.601868 106.0670 3.494446 106.5491 3.879517 107.0313 3.305664 107.5134 1.593750 107.9955 0.3132320 108.4776 1.466492 108.9597 1.773010 109.4418 1.276794 109.9240 0.4938960 110.4061 0.1023560 110.8882 1.257935 111.3703 3.065308 111.8524 5.208191 112.3345 6.890015 112.8167 7.707092 113.2988 8.541321 113.7809 9.481995 114.2630 10.24847 114.7451 10.78113 115.2272 10.83167 115.7094 10.42352 116.1915 10.05676 116.6736 10.03503 117.1557 9.741699 117.6378 8.597290 118.1199 6.863770 118.6021 5.467407 119.0842 5.291565 119.5663 6.447571 120.0484 7.066406 120.5305 6.783508 121.0126 6.187988 121.4948 5.798035 121.9769 5.690552 122.4590 5.602295 122.9411 5.231445 123.4232 4.646423 123.9053 4.031189 124.3875 3.567505 124.8696 3.126526 125.3517 2.264160 125.8338 0.4932860 126.3159 1.076904 126.7980 1.609070 127.2802 1.251648 127.7623 0.7069090 128.2444 0.5328980 128.7265 0.7690430 129.2086 0.9424440 129.6907 0.9209590 130.1729 0.8974610 130.6550 0.9379270 131.1371 1.057129 131.6192 1.248657 132.1013 1.550842 132.5834 2.204102 133.0656 2.463745 133.5477 2.259338 134.0298 1.770691 134.5119 1.087524 134.9940 0.2504270 135.4761 0.6998900 135.9583 1.665771 136.4404 2.471802 136.9225 3.525940 137.4046 5.387268 137.8867 7.413025 138.3688 8.488037 138.8510 7.943054 139.3331 6.465698 139.8152 6.318359 140.2973 7.976013 140.7794 9.907898 141.2615 11.85553 141.7437 13.68182 142.2258 14.68378 142.7079 13.85913 143.1900 12.28668 143.6721 12.27747 144.1542 14.78320 144.6364 17.83118 145.1185 19.37372 145.6006 19.17120 146.0827 18.91626 146.5648 19.49707 147.0469 20.48889 147.5291 21.56921 148.0112 22.76562 148.4933 23.84283 148.9754 24.15540 149.4575 23.08264 149.9396 22.31720 150.4218 22.39722 150.9039 23.08014 151.3860 23.98914 151.8681 24.95587 152.3502 25.94824 152.8323 26.68323 153.3145 26.63391 153.7966 26.82574 154.2787 27.89911 154.7608 29.38171 155.2429 30.30090 155.7250 29.79022 156.2072 27.69019 156.6893 26.53674 157.1714 26.94830 157.6535 27.51550 158.1356 27.72925 158.6177 27.55060 159.0999 27.10541 159.5820 26.39227 160.0641 25.30536 160.5462 25.18170 161.0283 26.90930 161.5104 28.93695 161.9926 30.02112 162.4747 29.99829 162.9568 29.67963 163.4389 29.87878 163.9210 30.57507 164.4031 31.38873 164.8853 32.54974 165.3674 33.71362 165.8495 34.23193 166.3316 33.78992 166.8137 33.23297 167.2958 33.48560 167.7780 34.35840 168.2601 35.14795 168.7422 35.38086 169.2243 35.22119 169.7064 35.34595 170.1885 35.83838 170.6707 36.59753 171.1528 37.70801 171.6349 39.05237 172.1170 40.18762 172.5991 40.45111 173.0812 39.75995 173.5634 39.97949 174.0455 42.36615 174.5276 44.80792 175.0097 46.45941 175.4918 47.30341 175.9739 47.75403 176.4561 48.15314 176.9382 48.36139 177.4203 49.01971 177.9024 50.58228 178.3845 52.18317 178.8666 53.37781 179.3488 54.10132 179.8309 54.53772 180.3130 54.83875 180.7951 54.49921 181.2772 55.30829 181.7593 58.45276 182.2415 61.82916 182.7236 63.68677 183.2057 63.68317 183.6878 62.93036 184.1699 63.15564 184.6520 65.28027 185.1342 66.83691 185.6163 67.63660 186.0984 67.91187 186.5805 67.76239 187.0626 67.20117 187.5447 66.57092 188.0269 66.52802 188.5090 67.26013 188.9911 67.69977 189.4732 67.29218 189.9553 66.47412 190.4374 66.09448 190.9196 66.57721 191.4017 67.26135 191.8838 67.07819 192.3659 66.00275 192.8480 64.97632 193.3301 64.64014 193.8123 64.71436 194.2944 64.17322 194.7765 62.31335 195.2586 60.30182 195.7407 59.52466 196.2228 60.00671 196.7050 60.37738 197.1871 59.54163 197.6692 57.55328 198.1513 55.58350 198.6334 53.73962 199.1155 52.10699 199.5977 50.94519 200.0798 50.21442 200.5619 49.29810 201.0440 47.32922 201.5261 44.02911 202.0082 41.48163 202.4904 40.71948 202.9725 40.23944 203.4546 39.25208 203.9367 37.69055 204.4188 36.05157 204.9009 35.00208 205.3831 34.78662 205.8652 34.41992 206.3473 34.13348 206.8294 33.51385 207.3115 32.24133 207.7936 30.30499 208.2758 27.96472 208.7579 25.51605 209.2400 22.62860 209.7221 20.42657 210.2042 19.17255 210.6863 18.29102 211.1685 17.51611 211.6506 16.73865 212.1327 15.83722 212.6148 14.55652 213.0969 12.30133 213.5790 11.05627 214.0612 11.75763 214.5433 12.81464 215.0254 12.92029 215.5075 11.78760 215.9896 10.06897 216.4717 8.655457 216.9539 7.589600 217.4360 6.809387 217.9181 6.668640 218.4002 6.634888 218.8823 6.128723 219.3644 5.010193 219.8466 3.646057 220.3287 2.492065 220.8108 1.543091 221.2929 0.7890010 221.7750 0.2034300 222.2571 0.1747440 222.7393 0.2069090 223.2214 0.1836550 223.7035 0.6455080 224.1856 0.7499390 224.6677 0.5358890 225.1498 0.1629030 225.6320 0.4116820 226.1141 1.099487 226.5962 1.836487 227.0783 2.706604 227.5604 3.344299 228.0425 3.273560 228.5247 2.637146 229.0068 1.904175 229.4889 1.363464 229.9710 0.8433230 230.4531 0.1471560 230.9352 1.902832 231.4174 3.595337 231.8995 4.740417 232.3816 5.370850 232.8637 5.469055 233.3458 4.249268 233.8279 2.409790 234.3101 2.414001 234.7922 5.283020 235.2743 8.427979 235.7564 10.34357 236.2385 11.41901 236.7206 12.42065 237.2028 13.67279 237.6849 15.18237 238.1670 17.04639 238.6491 19.56580 239.1312 21.99597 239.6133 23.90863 240.0955 25.55811 240.5776 27.39783 241.0597 29.70490 241.5418 32.40674 242.0239 35.07922 242.5060 37.44653 242.9882 40.21924 243.4703 43.71521 243.9524 47.68433 244.4345 51.83234 244.9166 56.04364 245.3987 60.24188 245.8809 63.95349 246.3630 66.54138 246.8451 69.45770 247.3272 73.05011 247.8093 77.10718 248.2914 81.29852 248.7736 85.43622 249.2557 89.63599 249.7378 94.33899 250.2199 100.1271 250.7020 105.7496 251.1841 110.8696 251.6663 115.7734 252.1484 120.7591 252.6305 125.9980 253.1126 131.4042 253.5947 136.8376 254.0768 142.4777 254.5590 147.8582 255.0411 152.6953 255.5232 157.3689 256.0053 162.3517 256.4874 167.8264 256.9695 173.6227 257.4517 179.3304 257.9338 184.9370 258.4159 190.6146 258.8980 196.6767 259.3801 202.5964 259.8622 207.5781 260.3444 211.3580 260.8265 214.5626 261.3086 218.3917 261.7907 223.9832 262.2728 228.3545 262.7549 230.9145 263.2371 232.6055 263.7192 234.1341 264.2013 235.7023 264.6834 237.3129 265.1655 239.0214 265.6476 240.9955 266.1298 242.5267 266.6119 243.8629 267.0940 244.5337 267.5761 244.0486 268.0582 242.3333 268.5403 239.8448 269.0225 237.1326 269.5046 234.2653 269.9867 230.4918 270.4688 225.1084 270.9509 219.2926 271.4330 214.1226 271.9152 209.7164 272.3973 205.3491 272.8794 200.4086 273.3615 194.8042 273.8436 188.9332 274.3257 182.4845 274.8079 175.9484 275.2900 169.8164 275.7721 164.0671 276.2542 158.3682 276.7363 152.3215 277.2184 146.0856 277.7006 140.4150 278.1827 135.7501 278.6648 131.3446 279.1469 126.7985 279.6290 122.1108 280.1111 117.2504 280.5933 112.0813 281.0754 106.7810 281.5575 101.8459 282.0396 97.39490 282.5217 93.17395 283.0038 89.03870 283.4860 84.99249 283.9681 80.99823 284.4502 76.95111 284.9323 73.03082 285.4144 69.64893 285.8965 67.14850 286.3787 64.48035 286.8608 60.70374 287.3429 56.18896 287.8250 52.27411 288.3071 49.49341 288.7892 47.38556 289.2714 45.24176 289.7535 43.02612 290.2356 41.04333 290.7177 39.68805 291.1998 38.67987 291.6819 37.21619 292.1641 35.01514 292.6462 32.51007 293.1283 29.91394 293.6104 27.26874 294.0925 25.27130 294.5746 24.59094 295.0568 24.69391 295.5389 24.60248 296.0210 24.21014 296.5031 23.48401 296.9852 22.15930 297.4673 20.47845 297.9495 19.07898 298.4316 18.60486 298.9137 18.20203 299.3958 16.36182 299.8779 12.68732 300.3600 9.649841 300.8422 9.774902 301.3243 11.60406 301.8064 12.59619 302.2885 11.76141 302.7706 10.27295 303.2527 9.540955 303.7349 9.644287 304.2170 9.784302 304.6991 9.521179 305.1812 9.027527 305.6633 8.552612 306.1454 8.148376 306.6276 7.743530 307.1097 7.352722 307.5918 6.978455 308.0739 6.488342 308.5560 5.706360 309.0381 4.933838 309.5203 4.540100 310.0024 4.562988 310.4845 4.597534 310.9666 4.293457 311.4487 3.740784 311.9308 3.409424 312.4130 3.523254 312.8951 3.685852 313.3772 3.658081 313.8593 3.422729 314.3414 2.810547 314.8235 0.9785770 315.3057 1.268494 315.7878 1.513123 316.2699 1.270752 316.7520 4.070496 317.2341 4.315063 317.7162 2.907104 318.1984 1.706055 318.6805 1.674561 319.1626 2.099243 319.6447 1.734863 320.1268 0.4022830 320.6089 0.8005980 321.0911 0.9618530 321.5732 0.6908570 322.0553 0.8872070 322.5374 2.014893 323.0195 3.192932 323.5016 3.360229 323.9838 2.511780 324.4659 1.814697 324.9480 1.898193 325.4301 2.222351 325.9122 2.108948 326.3943 1.468994 326.8765 0.6932370 327.3586 2.8809000E-02 327.8407 0.6787720 328.3228 1.137573 328.8049 1.345459 329.2870 1.384644 329.7692 1.275452 330.2513 1.037964 330.7334 0.9285890 331.2155 0.9697880 331.6976 1.237305 332.1797 2.095764 332.6619 3.874390 333.1440 5.418457 333.6261 5.370483 334.1082 4.324890 334.5903 3.654785 335.0724 4.058044 335.5546 4.917603 336.0367 5.411987 336.5188 5.498535 337.0009 5.644958 337.4830 6.157776 337.9651 6.903381 338.4473 7.673828 338.9294 8.660767 339.4115 9.334351 339.8936 9.035828 340.3757 7.902832 340.8578 6.976990 341.3400 6.606567 341.8221 6.684082 342.3042 7.132019 342.7863 8.091370 343.2684 8.660034 343.7505 8.117310 344.2327 6.866882 344.7148 5.822327 345.1969 5.127808 345.6790 4.799805 346.1611 5.095886 346.6432 5.905518 347.1254 6.515869 347.6075 6.863403 348.0896 6.854126 348.5717 6.177795 349.0538 4.776917 349.5359 3.478455 350.0181 3.010864 350.5002 3.172424 350.9823 2.974243 351.4644 2.060242 351.9465 1.036743 352.4286 0.1870120 352.9108 0.4616090 353.3929 0.7416380 353.8750 0.4155880 354.3571 0.1806640 354.8392 0.1146240 355.3214 1.110474 355.8035 1.811951 356.2856 0.7171630 356.7677 1.187622 357.2498 2.003357 357.7319 1.092407 358.2141 0.4699100 358.6962 1.260193 359.1783 1.180420 359.6604 0.9732670 360.1425 0.3918460 360.6246 8.0077998E-02 361.1068 0.2106320 361.5889 1.258240 362.0710 2.212219 362.5531 2.345825 363.0352 1.651001 363.5173 1.016724 363.9995 0.2571410 364.4816 0.2719730 364.9637 0.2564090 365.4458 0.1364750 365.9279 0.5001830 366.4100 0.6367190 366.8922 0.5740360 367.3743 0.3824460 367.8564 0.1959230 368.3385 0.2875370 368.8206 1.410034 369.3027 2.719055 369.7849 3.608887 370.2670 3.927002 370.7491 4.127930 371.2312 4.907715 371.7133 6.710266 372.1954 7.662598 372.6776 7.033875 373.1597 6.108704 373.6418 5.756592 374.1239 6.166443 374.6060 6.939758 375.0881 7.917358 375.5703 9.082520 376.0524 9.897949 376.5345 9.908081 377.0166 10.10608 377.4987 11.03064 377.9808 12.16583 378.4630 12.57800 378.9451 11.90393 379.4272 10.89606 379.9093 11.36090 380.3914 14.83679 380.8735 17.07141 381.3557 17.30133 381.8378 16.96252 382.3199 16.89398 382.8020 17.25732 383.2841 17.94781 383.7662 18.97284 384.2484 20.46021 384.7305 21.64203 385.2126 21.94446 385.6947 22.46741 386.1768 23.79114 386.6589 25.56189 387.1411 27.05969 387.6232 27.83020 388.1053 28.04956 388.5874 28.34216 389.0695 28.69482 389.5516 29.16718 390.0338 29.92950 390.5159 30.71063 390.9980 31.24133 391.4801 31.45062 391.9622 31.52826 392.4443 31.67358 392.9265 31.88446 393.4086 32.21295 393.8907 32.86810 394.3728 33.45129 394.8549 33.66815 395.3370 33.59521 395.8192 33.55066 396.3013 33.83844 396.7834 34.30853 397.2655 34.41608 397.7476 34.01678 398.2297 33.63385 398.7119 33.80884 399.1940 34.08142 399.6761 33.75427 400.1582 32.42584 400.6403 30.95642 401.1224 30.34833 401.6046 30.53168 402.0867 30.47015 402.5688 29.74084 403.0509 28.75311 403.5330 28.02527 404.0151 27.56317 404.4973 27.04956 404.9794 26.39038 405.4615 25.57709 405.9436 24.51544 406.4257 23.16772 406.9078 21.87866 407.3900 21.05072 407.8721 20.56323 408.3542 19.74579 408.8363 17.91943 409.3184 16.32852 409.8005 16.22665 410.2827 17.13940 410.7648 17.25510 411.2469 15.60211 411.7290 13.18134 412.2111 12.28372 412.6932 13.32697 413.1754 14.37338 413.6575 15.40158 414.1396 16.27145 414.6217 16.51392 415.1038 16.07455 415.5859 15.66473 416.0681 16.03531 416.5502 17.29504 417.0323 17.92615 417.5144 17.00253 417.9965 16.54880 418.4786 17.60983 418.9608 19.66602 419.4429 21.70197 419.9250 23.23285 420.4071 24.41098 420.8892 25.56622 421.3713 26.63858 421.8535 27.76852 422.3356 28.44696 422.8177 29.47073 423.2998 31.81360 423.7819 35.37070 424.2640 38.88861 424.7462 40.96472 425.2283 41.47195 425.7104 42.55609 426.1925 44.75723 426.6746 46.97769 427.1567 48.85620 427.6389 50.56079 428.1210 52.38251 428.6031 54.47729 429.0852 56.69473 429.5673 58.81430 430.0494 60.96747 430.5316 62.56964 431.0137 62.99744 431.4958 63.13419 431.9779 63.45898 432.4600 64.02567 432.9421 64.71979 433.4243 65.68103 433.9064 66.74716 434.3885 67.17560 434.8706 66.79541 435.3527 66.09125 435.8348 64.93182 436.3170 63.72418 436.7991 63.24292 437.2812 64.00916 437.7633 65.09366 438.2454 65.53647 438.7275 65.45453 439.2097 65.75970 439.6918 67.00089 440.1739 68.40613 440.6560 68.62183 441.1381 67.55145 441.6202 66.85587 442.1024 67.17221 442.5845 68.00375 443.0666 68.96918 443.5487 69.98444 444.0308 70.67761 444.5129 70.64911 444.9951 70.02362 445.4772 69.96906 445.9593 70.93875 446.4414 71.86102 446.9235 72.44836 447.4056 72.77737 447.8878 72.86389 448.3699 72.72617 448.8520 72.65259 449.3341 73.10580 449.8162 74.29980 450.2983 75.44681 450.7805 76.47052 451.2626 77.52332 451.7447 78.71564 452.2268 80.01862 452.7089 81.30438 453.1910 82.46783 453.6732 83.57001 454.1553 84.83374 454.6374 86.42743 455.1195 88.02032 455.6016 89.18393 456.0837 90.37183 456.5659 92.11093 457.0480 94.49042 457.5301 96.99603 458.0122 98.97006 458.4943 100.3938 458.9764 102.2142 459.4586 104.9706 459.9407 107.4536 460.4228 108.8904 460.9049 109.6797 461.3870 110.4816 461.8691 111.4328 462.3513 112.5788 462.8334 114.2314 463.3155 116.3540 463.7976 117.9328 464.2797 118.6312 464.7618 118.7892 465.2440 118.6350 465.7261 118.0942 466.2082 117.7834 466.6903 118.3390 467.1724 119.0804 467.6545 119.2250 468.1367 118.7212 468.6188 117.7223 469.1009 116.3197 469.5830 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