#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:48:05 +0300 (Thu, 24 May 2018) $ #$Revision: 782 $ #$URL: svn://172.16.1.111/rod/cif/1/00/02/1000279.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_1000279 loop_ _publ_author_name 'Wan, C.' 'Ghose, S.' _publ_section_title ; Inesite, a hydrated calcium manganese silicate with five-tetrahedral-repeat double chains ; _journal_name_full 'American Mineralogist' _journal_page_first 563 _journal_page_last 571 _journal_volume 63 _journal_year 1978 _chemical_compound_source R090030 _chemical_formula_sum 'Ca2 H11.912 Mn7 O34.956 Si10' _chemical_name_mineral Inesite _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 88.15 _cell_angle_beta 132.07 _cell_angle_gamma 96.64 _cell_length_a 8.889 _cell_length_b 9.247 _cell_length_c 11.975 _cell_volume 724.410 _exptl_crystal_density_diffrn 3.019 _cod_original_cell_volume 724.409 _cod_original_formula_sum 'Ca2 Mn7 Si10 O34.956 H11.912' _cod_database_code 9000656 _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 R090030.rod _rod_data_source.block 3500000 _rod_database.code 1000279 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 9000656 COD http://www.crystallography.net/cod/9000656.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 130.4596 0.0000000E+00 130.9418 2.779366 131.4239 5.745956 131.9060 7.856339 132.3881 9.148224 132.8702 10.04796 133.3523 10.48518 133.8345 10.54820 134.3166 10.19951 134.7987 9.425461 135.2808 8.654877 135.7629 7.975372 136.2450 7.323837 136.7272 6.405167 137.2093 5.088165 137.6914 3.854309 138.1735 3.254211 138.6556 3.398239 139.1377 3.674919 139.6199 3.845261 140.1020 3.897385 140.5841 4.474617 141.0662 5.691322 141.5483 7.245201 142.0304 8.761543 142.5126 10.15262 142.9947 11.62991 143.4768 12.89518 143.9589 13.73991 144.4410 14.46973 144.9231 14.84077 145.4053 15.29854 145.8874 16.60628 146.3695 19.26721 146.8516 21.93665 147.3337 24.17189 147.8158 26.06276 148.2980 27.49303 148.7801 28.21535 149.2622 28.43440 149.7443 28.70567 150.2264 29.06512 150.7085 29.45106 151.1907 29.90379 151.6728 30.89989 152.1549 31.14902 152.6370 30.42251 153.1191 28.96104 153.6012 27.37096 154.0834 25.76044 154.5655 23.99470 155.0476 21.98285 155.5297 19.68477 156.0118 17.34145 156.4939 14.91198 156.9761 12.56576 157.4582 10.98161 157.9403 10.52406 158.4224 10.72737 158.9045 11.31453 159.3866 11.80849 159.8688 12.15540 160.3509 12.51585 160.8330 13.13670 161.3151 13.67303 161.7972 13.75738 162.2793 13.62249 162.7615 13.59985 163.2436 14.03993 163.7257 14.33215 164.2078 14.17390 164.6899 13.68033 165.1720 13.11867 165.6541 12.28806 166.1363 11.54881 166.6184 11.24153 167.1005 11.20395 167.5826 11.55556 168.0647 11.78864 168.5468 11.90936 169.0290 11.57725 169.5111 11.83190 169.9932 11.85229 170.4753 11.86346 170.9574 12.20211 171.4395 11.93845 171.9217 12.27249 172.4038 12.70947 172.8859 13.36958 173.3680 14.14059 173.8501 14.88931 174.3322 15.39786 174.8144 15.42883 175.2965 15.24036 175.7786 15.11525 176.2607 15.05816 176.7428 15.04742 177.2249 15.28963 177.7071 15.58571 178.1892 15.45734 178.6713 14.45434 179.1534 12.95584 179.6355 11.59892 180.1176 10.40987 180.5998 9.182594 181.0819 7.538246 181.5640 5.621323 182.0461 3.895111 182.5282 2.682495 183.0103 1.816948 183.4925 0.9463880 183.9746 6.1469998E-02 184.4567 0.8226090 184.9388 1.681366 185.4209 2.523834 185.9030 3.363426 186.3852 4.336182 186.8673 5.332901 187.3494 5.971184 187.8315 6.202766 188.3136 5.964905 188.7957 5.536583 189.2779 4.949135 189.7600 4.513420 190.2421 4.528793 190.7242 4.891655 191.2063 5.000648 191.6884 4.811737 192.1706 4.414268 192.6527 3.865791 193.1348 3.166496 193.6169 2.527237 194.0990 2.075096 194.5811 1.800888 195.0633 1.525032 195.5454 1.256828 196.0275 0.9566500 196.5096 0.5867690 196.9917 0.1527560 197.4738 0.4174880 197.9560 1.243187 198.4381 2.322701 198.9202 3.206223 199.4023 3.801964 199.8844 4.295952 200.3665 5.082588 200.8487 6.217682 201.3308 7.345390 201.8129 8.228394 202.2950 8.834511 202.7771 9.640236 203.2592 10.70907 203.7414 11.94682 204.2235 13.19410 204.7056 14.45731 205.1877 15.65307 205.6698 16.66989 206.1519 17.44300 206.6341 18.47466 207.1162 19.82799 207.5983 21.39000 208.0804 22.90678 208.5625 24.34437 209.0446 25.79048 209.5268 27.33158 210.0089 29.03790 210.4910 30.48907 210.9731 31.59850 211.4552 32.50706 211.9373 33.48380 212.4195 34.45772 212.9016 35.66570 213.3837 37.31467 213.8658 39.62150 214.3479 41.61002 214.8300 43.28442 215.3121 44.63200 215.7943 45.58711 216.2764 46.03230 216.7585 46.30374 217.2406 46.57382 217.7227 46.91385 218.2048 47.00826 218.6870 46.85249 219.1691 46.44781 219.6512 45.76760 220.1333 44.70274 220.6154 43.55965 221.0975 42.46312 221.5797 41.46597 222.0618 40.38828 222.5439 39.19447 223.0260 37.94099 223.5081 36.71011 223.9902 35.47112 224.4724 34.33286 224.9545 33.36737 225.4366 32.59860 225.9187 31.91929 226.4008 31.32369 226.8829 30.81386 227.3651 30.39967 227.8472 30.06839 228.3293 29.84615 228.8114 29.78496 229.2935 30.00185 229.7757 29.98328 230.2578 29.56833 230.7399 28.99263 231.2220 28.73186 231.7041 28.93251 232.1862 29.19714 232.6684 29.30862 233.1505 29.03069 233.6326 29.42017 234.1147 30.89268 234.5968 32.80906 235.0789 33.92030 235.5611 33.69749 236.0432 33.52560 236.5253 33.87205 237.0074 34.85222 237.4895 35.91914 237.9716 37.12238 238.4538 38.37790 238.9359 39.59493 239.4180 41.02542 239.9001 41.99147 240.3822 42.22537 240.8643 41.58220 241.3465 40.86971 241.8286 40.08195 242.3107 39.20699 242.7928 38.23215 243.2749 37.12854 243.7570 35.97612 244.2392 34.80226 244.7213 33.62253 245.2034 32.31926 245.6855 30.88385 246.1676 29.40155 246.6497 27.89780 247.1319 26.09371 247.6140 24.82365 248.0961 24.52078 248.5782 25.36764 249.0603 25.19690 249.5424 23.49647 250.0246 21.32512 250.5067 19.84549 250.9888 19.38837 251.4709 18.99733 251.9530 18.44043 252.4351 17.68942 252.9173 17.10503 253.3994 16.82432 253.8815 16.54433 254.3636 15.91289 254.8457 14.65125 255.3278 13.68637 255.8100 13.31144 256.2921 13.48383 256.7742 13.22061 257.2563 12.23857 257.7384 11.19276 258.2205 10.67628 258.7026 10.89206 259.1848 11.11934 259.6669 11.27162 260.1490 11.35252 260.6311 11.34409 261.1132 11.19763 261.5953 11.04648 262.0775 10.96648 262.5596 10.92334 263.0417 11.05228 263.5238 11.35403 264.0059 11.83644 264.4880 12.60715 264.9702 13.76611 265.4523 15.00201 265.9344 16.09084 266.4165 16.96973 266.8986 17.96431 267.3807 19.12471 267.8629 20.41768 268.3450 21.68980 268.8271 22.83429 269.3092 24.26433 269.7913 26.35265 270.2734 29.27057 270.7556 31.93129 271.2377 34.20676 271.7198 36.30194 272.2019 38.70059 272.6840 41.42998 273.1661 44.38596 273.6483 47.54495 274.1304 50.90656 274.6125 54.40355 275.0946 58.06538 275.5767 61.78427 276.0588 65.36908 276.5410 68.78702 277.0231 72.16927 277.5052 75.49802 277.9873 78.78313 278.4694 82.10812 278.9515 85.59579 279.4337 88.84267 279.9158 91.24120 280.3979 92.73752 280.8800 93.86644 281.3621 94.87625 281.8442 95.71500 282.3264 95.75703 282.8085 94.93094 283.2906 93.57404 283.7727 91.95883 284.2548 90.08595 284.7369 88.21512 285.2191 86.36629 285.7012 84.59344 286.1833 83.08542 286.6654 81.86977 287.1475 80.73334 287.6296 79.40549 288.1118 77.91965 288.5939 76.67030 289.0760 75.67119 289.5581 75.02025 290.0402 75.03911 290.5223 75.74203 291.0045 76.69208 291.4866 77.41057 291.9687 78.03761 292.4508 79.33650 292.9329 81.66710 293.4150 84.38829 293.8972 86.48448 294.3793 87.99286 294.8614 89.33052 295.3435 90.86856 295.8256 92.45070 296.3077 93.68513 296.7899 94.57661 297.2720 94.93015 297.7541 94.47797 298.2362 93.25320 298.7183 91.36958 299.2004 88.87946 299.6826 85.78104 300.1647 81.91069 300.6468 77.21475 301.1289 72.12314 301.6110 66.88197 302.0931 61.56317 302.5753 56.19736 303.0574 50.76576 303.5395 45.34961 304.0216 40.06966 304.5037 34.87785 304.9858 30.06964 305.4680 25.92760 305.9501 22.31924 306.4322 19.01701 306.9143 15.29875 307.3964 11.02992 307.8785 10.06218 308.3607 8.977783 308.8428 7.783539 309.3249 6.138672 309.8070 5.082932 310.2891 3.795547 310.7712 2.501343 311.2534 2.951828 311.7355 2.555206 312.2176 2.481750 312.6997 2.674774 313.1818 3.309296 313.6639 4.075424 314.1461 4.676987 314.6282 4.864502 315.1103 5.287979 315.5924 6.411362 316.0745 7.999924 316.5566 9.583817 317.0388 10.88226 317.5209 12.17625 318.0030 13.70000 318.4851 15.58115 318.9672 17.27612 319.4493 18.44884 319.9315 19.36456 320.4136 20.38879 320.8957 21.68730 321.3778 23.04460 321.8599 24.44002 322.3420 25.88451 322.8242 27.18979 323.3063 28.35109 323.7884 29.33969 324.2705 30.13098 324.7526 30.38792 325.2347 30.80241 325.7169 31.60361 326.1990 32.75662 326.6811 33.76263 327.1632 34.22285 327.6453 34.77423 328.1274 35.77020 328.6096 37.58573 329.0917 39.39972 329.5738 41.23755 330.0559 43.07155 330.5380 44.79216 331.0201 46.34013 331.5023 47.83052 331.9844 49.34848 332.4665 51.05698 332.9486 52.38502 333.4307 53.23781 333.9128 53.72775 334.3950 54.06102 334.8771 54.26215 335.3592 54.28046 335.8413 53.99355 336.3234 53.32645 336.8055 53.21260 337.2877 53.94585 337.7698 54.76445 338.2519 54.92191 338.7340 54.42496 339.2161 53.27190 339.6982 51.17810 340.1803 48.40199 340.6624 46.65711 341.1446 46.05749 341.6267 45.89149 342.1088 45.56067 342.5909 45.06784 343.0730 45.21518 343.5551 46.32434 344.0373 47.87541 344.5194 48.50374 345.0015 48.15091 345.4836 47.86601 345.9657 48.42397 346.4478 49.66988 346.9300 50.67087 347.4121 51.34442 347.8942 51.87912 348.3763 52.56975 348.8584 53.38996 349.3405 54.15422 349.8227 54.86488 350.3048 55.44847 350.7869 55.74487 351.2690 55.75581 351.7511 55.53785 352.2332 55.21097 352.7154 54.69438 353.1975 53.79417 353.6796 52.29948 354.1617 50.54635 354.6438 48.99745 355.1259 47.57195 355.6081 45.85675 356.0902 43.16052 356.5723 40.17496 357.0544 37.70056 357.5365 36.04669 358.0186 34.63245 358.5008 33.10307 358.9829 31.52417 359.4650 30.03795 359.9471 28.78916 360.4292 27.59738 360.9113 26.32307 361.3935 24.94854 361.8756 23.64375 362.3577 22.43977 362.8398 21.36169 363.3219 20.43759 363.8040 19.62374 364.2862 19.01862 364.7683 18.71933 365.2504 18.71041 365.7325 18.72246 366.2146 18.92546 366.6967 18.98750 367.1789 18.70272 367.6610 17.56335 368.1431 16.65404 368.6252 16.02729 369.1073 15.67606 369.5894 15.58077 370.0716 15.95328 370.5537 16.35996 371.0358 16.64394 371.5179 16.74905 372.0000 16.91612 372.4821 17.28410 372.9643 17.61841 373.4464 17.54831 373.9285 16.80500 374.4106 16.24336 374.8927 16.16600 375.3748 16.53988 375.8570 16.47568 376.3391 15.86061 376.8212 15.03515 377.3033 14.22379 377.7854 13.41879 378.2675 12.74019 378.7497 12.22952 379.2318 11.82299 379.7139 11.40812 380.1960 11.01112 380.6781 10.38680 381.1602 9.243317 381.6424 7.687065 382.1245 6.413834 382.6066 5.462082 383.0887 4.714294 383.5708 4.057487 384.0529 3.482109 384.5351 2.892471 385.0172 2.193642 385.4993 1.497627 385.9814 1.010384 386.4635 0.7286300 386.9456 0.4493030 387.4278 3.4423999E-02 387.9099 0.6066820 388.3920 1.085220 388.8741 1.391266 389.3562 1.640770 389.8383 1.969673 390.3205 2.338997 390.8026 2.621147 391.2847 2.643051 391.7668 2.620476 392.2489 2.729767 392.7310 3.009041 393.2132 3.323204 393.6953 3.733826 394.1774 4.095970 394.6595 4.236420 395.1416 3.823578 395.6237 3.441704 396.1059 3.300949 396.5880 3.395180 397.0701 3.538582 397.5522 3.924980 398.0343 4.189743 398.5164 4.111267 398.9986 3.259087 399.4807 2.597206 399.9628 2.244888 400.4449 2.092911 400.9270 1.899078 401.4091 1.717911 401.8913 1.421997 402.3734 0.9369660 402.8555 0.2120590 403.3376 0.4055020 403.8197 0.8488850 404.3018 1.263023 404.7840 1.831367 405.2661 2.629143 405.7482 3.317230 406.2303 3.812950 406.7124 4.155029 407.1945 4.521400 407.6767 4.918175 408.1588 5.303329 408.6409 5.673920 409.1230 6.022247 409.6051 6.254242 410.0872 6.354843 410.5694 6.361839 411.0515 6.299194 411.5336 6.179230 412.0157 6.082100 412.4978 6.032730 412.9799 6.034531 413.4621 6.091881 413.9442 6.204689 414.4263 6.372009 414.9084 6.632599 415.3905 6.938927 415.8727 7.185272 416.3548 7.222816 416.8369 7.401253 417.3190 8.122978 417.8011 9.230576 418.2832 10.31864 418.7654 11.20673 419.2475 11.98061 419.7296 12.63004 420.2117 13.11883 420.6938 13.74719 421.1759 14.82668 421.6581 16.02499 422.1402 17.00146 422.6223 17.68931 423.1044 18.12175 423.5865 18.19402 424.0686 17.95564 424.5508 17.77568 425.0329 17.81884 425.5150 17.82167 425.9971 17.64330 426.4792 17.08327 426.9613 16.78420 427.4435 16.99995 427.9256 17.34023 428.4077 17.15939 428.8898 16.25014 429.3719 15.26005 429.8540 14.30893 430.3362 13.40714 430.8183 12.66883 431.3004 12.13826 431.7825 11.65901 432.2646 11.09390 432.7467 10.44529 433.2289 9.810059 433.7110 9.182365 434.1931 8.630836 434.6752 8.386467 435.1573 8.412971 435.6394 8.317276 436.1216 7.756752 436.6036 6.950165 437.0858 6.370499 437.5679 6.023247 438.0500 5.863525 438.5321 5.886787 439.0142 6.064445 439.4963 6.359177 439.9785 6.822044 440.4606 7.313965 440.9427 7.697205 441.4248 8.012871 441.9069 8.377869 442.3890 8.917915 442.8712 9.478516 443.3533 9.913635 443.8354 10.15077 444.3175 10.55827 444.7996 11.50996 445.2817 12.56676 445.7639 13.28209 446.2460 13.27588 446.7281 13.26549 447.2102 13.44812 447.6923 13.76866 448.1744 13.86074 448.6566 13.63858 449.1387 13.30099 449.6208 12.93105 450.1029 12.53526 450.5850 12.03547 451.0671 11.42419 451.5493 10.71146 452.0314 9.870590 452.5135 8.853050 452.9956 8.081482 453.4777 7.791992 453.9598 7.794563 454.4420 7.187088 454.9241 5.902710 455.4062 4.614548 455.8883 3.903587 456.3704 3.674942 456.8525 3.465790 457.3347 3.204147 457.8168 2.947929 458.2989 2.839020 458.7810 2.815048 459.2631 2.682312 459.7452 2.176895 460.2274 1.650627 460.7095 1.533524 461.1916 1.778847 461.6737 2.087120 462.1558 2.208496 462.6379 2.352127 463.1201 2.721161 463.6022 3.411278 464.0843 4.146523 464.5664 4.962784 465.0485 5.725967 465.5306 6.222366 466.0128 5.941895 466.4949 5.843262 466.9770 6.321877 467.4591 7.408348 467.9412 8.281830 468.4233 8.806046 468.9055 9.223473 469.3876 9.670067 469.8697 10.13850 470.3518 10.66019 470.8339 11.27554 471.3160 11.92126 471.7982 12.50314 472.2803 13.04076 472.7624 13.43565 473.2445 13.62578 473.7266 13.64013 474.2087 13.58338 474.6909 13.43072 475.1730 13.41096 475.6551 13.85841 476.1372 14.63759 476.6193 15.13426 477.1014 15.17602 477.5836 15.15508 478.0657 15.56305 478.5478 16.30695 479.0299 17.11110 479.5120 17.78252 479.9941 18.50652 480.4763 19.49493 480.9584 20.72903 481.4405 21.97068 481.9226 23.07471 482.4047 24.14165 482.8868 25.27118 483.3690 26.54641 483.8511 27.72913 484.3332 28.68034 484.8153 29.50747 485.2974 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