#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:45:03 +0300 (Thu, 26 Apr 2018) $ #$Revision: 557 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000103.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_1000103 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 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 R090030.rod _rod_data_source.block 3500000 _rod_database.code 1000103 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 130.4642 0.0000000E+00 130.9463 1.568100 131.4284 3.192719 131.9105 4.687851 132.3926 5.906403 132.8748 6.836304 133.3569 7.426056 133.8390 7.667435 134.3211 7.395874 134.8032 6.960297 135.2853 7.146378 135.7674 6.659035 136.2496 5.707268 136.7317 4.628418 137.2138 3.585190 137.6959 2.564743 138.1780 1.560463 138.6601 0.6722260 139.1423 7.4584998E-02 139.6244 0.3220670 140.1065 0.4122850 140.5886 0.1125110 141.0707 0.5490720 141.5528 1.446312 142.0350 2.466827 142.5171 3.725082 142.9992 4.827263 143.4813 5.691765 143.9634 6.610809 144.4455 7.751511 144.9277 9.106644 145.4098 10.63255 145.8919 12.40121 146.3740 14.51546 146.8561 16.49688 147.3382 18.27538 147.8204 19.97467 148.3025 21.68219 148.7846 23.48620 149.2667 25.25874 149.7488 26.67956 150.2309 27.99359 150.7131 28.88812 151.1952 29.13888 151.6773 28.83156 152.1594 28.25848 152.6415 27.45807 153.1236 26.50768 153.6058 25.65334 154.0879 25.07624 154.5700 24.16639 155.0521 22.20554 155.5342 19.15147 156.0163 16.28864 156.4985 14.33518 156.9806 12.92688 157.4627 11.82257 157.9448 10.56943 158.4269 9.420212 158.9090 9.173431 159.3912 10.13359 159.8733 10.93581 160.3554 10.98312 160.8375 10.41241 161.3196 9.771751 161.8017 9.345863 162.2839 9.016281 162.7660 8.394775 163.2481 7.205315 163.7302 6.202171 164.2123 5.427284 164.6944 4.885895 165.1766 4.634682 165.6587 4.729103 166.1408 5.117302 166.6229 5.436989 167.1050 5.417442 167.5871 5.621971 168.0693 6.372589 168.5514 7.436119 169.0335 8.360359 169.5156 8.838058 169.9977 8.897293 170.4798 8.989418 170.9620 8.983368 171.4441 9.120529 171.9262 9.583435 172.4083 10.31812 172.8904 11.08535 173.3725 11.72086 173.8547 12.22172 174.3368 12.71034 174.8189 13.25841 175.3010 13.74833 175.7831 14.12577 176.2652 14.39243 176.7474 14.44820 177.2295 14.16026 177.7116 13.59300 178.1937 12.89126 178.6758 12.04088 179.1579 11.08728 179.6401 10.08982 180.1222 9.058769 180.6043 7.960342 181.0864 6.740974 181.5685 5.448814 182.0506 4.163452 182.5328 2.896004 183.0149 1.665527 183.4970 0.4985890 183.9791 0.7006840 184.4612 1.646744 184.9433 2.150055 185.4255 2.365440 185.9076 2.559822 186.3897 2.905510 186.8718 3.388786 187.3539 3.843262 187.8360 4.328835 188.3182 4.353912 188.8003 4.295181 189.2824 4.113022 189.7645 3.715736 190.2466 2.986778 190.7287 1.901001 191.2109 1.055656 191.6930 0.5890500 192.1751 0.2208250 192.6572 7.2342001E-02 193.1393 0.3279190 193.6214 0.6161120 194.1036 1.002518 194.5857 1.508171 195.0678 1.940025 195.5499 2.156090 196.0320 2.436569 196.5141 2.907440 196.9963 3.565895 197.4784 4.348381 197.9605 5.251823 198.4426 6.333206 198.9247 7.251236 199.4068 7.865105 199.8890 8.424591 200.3711 9.094437 200.8532 9.883965 201.3353 10.70164 201.8174 11.45985 202.2995 12.15642 202.7817 12.92163 203.2638 13.73459 203.7459 14.62868 204.2280 15.65145 204.7101 16.81476 205.1922 18.05190 205.6744 19.32581 206.1565 20.63886 206.6386 21.98664 207.1207 23.45061 207.6028 24.92109 208.0849 26.18553 208.5671 27.16447 209.0492 28.20755 209.5313 29.69057 210.0134 31.45441 210.4955 33.18267 210.9776 34.70214 211.4598 36.11969 211.9419 37.69726 212.4240 39.49204 212.9061 41.31976 213.3882 43.15217 213.8703 44.93607 214.3525 46.56762 214.8346 48.01761 215.3167 49.26189 215.7988 50.15282 216.2809 50.46764 216.7630 50.76315 217.2451 51.50346 217.7273 52.38192 218.2094 52.85336 218.6915 52.52023 219.1736 51.51006 219.6557 50.57082 220.1378 49.77573 220.6200 48.97449 221.1021 48.18280 221.5842 47.33899 222.0663 46.32444 222.5484 45.02986 223.0305 43.50869 223.5127 42.22082 223.9948 41.32876 224.4769 40.54804 224.9590 39.85191 225.4411 39.21727 225.9232 38.64563 226.4054 38.14975 226.8875 37.70224 227.3696 36.99548 227.8517 35.61800 228.3338 34.40336 228.8159 33.59055 229.2981 33.06557 229.7802 32.62070 230.2623 32.12194 230.7444 31.57642 231.2265 31.07111 231.7086 30.36984 232.1908 29.95459 232.6729 30.03694 233.1550 30.49377 233.6371 31.09031 234.1192 31.69083 234.6013 32.30229 235.0835 32.98697 235.5656 33.56964 236.0477 34.39374 236.5298 35.76539 237.0119 37.45936 237.4940 39.00117 237.9762 40.11340 238.4583 40.87697 238.9404 41.68250 239.4225 42.88380 239.9046 43.73156 240.3867 43.92322 240.8689 43.54323 241.3510 42.78070 241.8331 41.66349 242.3152 40.27238 242.7973 38.83701 243.2794 37.35172 243.7616 35.88445 244.2437 34.46118 244.7258 33.06763 245.2079 31.68221 245.6900 30.27872 246.1721 28.92667 246.6543 27.69543 247.1364 26.59043 247.6185 25.61477 248.1006 24.88071 248.5827 24.34044 249.0648 23.72019 249.5470 22.89520 250.0291 21.92079 250.5112 20.82205 250.9933 19.52431 251.4754 18.48592 251.9576 18.11146 252.4397 18.24684 252.9218 18.24567 253.4039 17.89942 253.8860 17.41113 254.3681 17.05701 254.8503 16.83974 255.3324 16.50862 255.8145 15.73310 256.2966 14.64222 256.7787 13.92863 257.2608 13.87088 257.7430 14.03068 258.2251 14.07459 258.7072 14.00695 259.1893 13.84060 259.6714 13.44437 260.1535 12.90228 260.6357 12.72069 261.1178 13.19485 261.5999 13.71488 262.0820 13.82402 262.5641 13.64338 263.0462 13.55000 263.5284 13.89783 264.0105 14.58427 264.4926 14.95536 264.9747 14.64632 265.4568 14.55271 265.9389 15.12367 266.4211 16.19318 266.9032 17.41482 267.3853 18.56841 267.8674 19.70871 268.3495 21.11485 268.8316 22.96896 269.3138 24.83057 269.7959 26.42882 270.2780 27.94576 270.7601 29.64773 271.2422 31.66989 271.7243 33.97878 272.2065 36.45578 272.6886 39.16536 273.1707 41.92495 273.6528 44.68271 274.1349 47.45990 274.6170 50.18958 275.0992 52.82498 275.5813 55.54129 276.0634 58.84116 276.5455 63.30322 277.0276 67.26429 277.5097 70.40585 277.9919 73.02251 278.4740 75.35161 278.9561 77.49151 279.4382 79.43584 279.9203 81.26055 280.4024 83.24595 280.8846 84.42480 281.3667 84.44899 281.8488 83.94900 282.3309 83.43124 282.8130 83.00138 283.2951 82.33946 283.7773 80.86520 284.2594 78.08495 284.7415 75.71610 285.2236 74.00781 285.7057 72.49839 286.1878 70.83114 286.6700 69.02229 287.1521 67.40253 287.6342 66.36627 288.1163 66.03191 288.5984 65.87148 289.0805 65.81351 289.5627 65.97086 290.0448 66.28095 290.5269 66.83051 291.0090 67.86021 291.4911 69.65026 291.9732 72.26340 292.4554 74.78127 292.9375 77.09647 293.4196 79.43159 293.9017 81.93976 294.3838 84.52847 294.8659 87.05092 295.3481 89.44595 295.8302 91.68125 296.3123 93.18507 296.7944 94.00498 297.2765 93.97368 297.7586 92.95470 298.2408 91.06901 298.7229 88.47314 299.2050 85.26210 299.6871 81.44044 300.1692 77.02097 300.6513 71.55245 301.1335 65.99363 301.6156 60.41373 302.0977 54.83607 302.5798 49.10376 303.0619 43.19302 303.5440 37.45863 304.0262 32.59234 304.5083 29.25327 304.9904 25.92738 305.4725 22.49708 305.9546 19.13428 306.4367 15.90316 306.9189 12.85211 307.4010 10.05688 307.8831 7.623894 308.3652 5.588730 308.8473 3.888649 309.3294 2.545837 309.8116 1.442558 310.2937 0.5560070 310.7758 0.1456990 311.2579 0.7281110 311.7400 1.263123 312.2221 1.783928 312.7043 2.033958 313.1864 1.942131 313.6685 1.697540 314.1506 1.322227 314.6327 0.8514020 315.1148 0.3565140 315.5970 9.3620002E-02 316.0791 0.5195690 316.5612 1.209404 317.0433 2.447273 317.5254 3.638733 318.0075 4.524246 318.4897 5.311951 318.9718 6.359985 319.4539 7.862228 319.9360 9.650497 320.4181 11.19917 320.9002 12.23705 321.3824 13.34155 321.8645 14.54253 322.3466 15.81860 322.8287 17.15221 323.3108 18.52885 323.7929 19.96770 324.2751 21.51738 324.7572 23.28436 325.2393 24.96512 325.7214 26.35019 326.2035 27.85297 326.6856 29.84248 327.1678 32.29318 327.6499 34.83408 328.1320 37.06323 328.6141 38.88300 329.0962 40.88094 329.5783 43.26682 330.0605 45.58945 330.5426 47.64877 331.0247 49.51605 331.5068 51.39459 331.9889 53.46542 332.4710 55.68369 332.9532 57.34067 333.4353 58.18425 333.9174 58.65572 334.3995 58.83318 334.8816 58.69501 335.3637 58.18761 335.8459 57.29994 336.3280 56.08545 336.8101 54.62306 337.2922 52.49474 337.7743 50.67897 338.2564 49.40907 338.7386 48.36470 339.2206 47.25234 339.7028 45.98319 340.1849 44.70561 340.6670 43.62491 341.1491 42.71362 341.6312 42.09198 342.1133 41.77722 342.5955 41.67680 343.0776 41.76141 343.5597 42.02854 344.0418 42.48170 344.5239 43.13829 345.0060 44.01814 345.4882 44.98821 345.9703 46.24364 346.4524 47.38155 346.9345 48.18932 347.4166 48.81661 347.8987 49.56053 348.3809 50.62398 348.8630 51.89575 349.3451 52.92080 349.8272 53.75037 350.3093 54.21391 350.7914 54.27472 351.2736 54.01241 351.7557 53.49948 352.2378 52.76057 352.7199 51.78662 353.2020 50.55452 353.6841 49.02917 354.1663 47.34219 354.6484 45.36795 355.1305 43.34559 355.6126 41.43415 356.0947 39.63647 356.5768 37.83809 357.0590 35.89655 357.5411 33.81557 358.0232 31.82584 358.5053 29.93253 358.9874 28.14771 359.4695 26.50281 359.9517 24.96918 360.4338 23.49663 360.9159 22.04840 361.3980 20.64665 361.8801 19.30706 362.3622 17.95501 362.8444 16.86100 363.3265 16.23377 363.8086 15.83671 364.2907 15.45853 364.7728 15.04313 365.2549 14.57466 365.7371 13.95979 366.2192 13.15445 366.7013 12.58768 367.1834 12.58622 367.6655 12.68003 368.1476 12.50137 368.6298 12.04320 369.1119 11.56733 369.5940 11.30086 370.0761 11.18856 370.5582 10.96516 371.0403 10.55987 371.5225 10.15056 372.0046 9.919952 372.4867 9.782005 372.9688 9.515961 373.4509 8.930290 373.9330 8.235542 374.4152 7.797638 374.8973 7.659271 375.3794 7.436691 375.8615 6.934090 376.3436 6.227776 376.8257 5.422417 377.3079 4.485809 377.7900 3.547218 378.2721 2.650795 378.7542 1.816086 379.2363 1.121872 379.7184 0.5682450 380.2006 0.1987760 380.6827 0.1392670 381.1648 0.3823170 381.6469 0.5601430 382.1290 0.5749210 382.6111 0.4476850 383.0933 0.1463240 383.5754 0.3459240 384.0575 0.7886120 384.5396 0.9917140 385.0217 0.9619060 385.5038 0.8934710 385.9860 0.7915040 386.4681 0.6508030 386.9502 0.3689800 387.4323 2.3293000E-02 387.9144 0.1019060 388.3965 0.1649860 388.8787 0.6772840 389.3608 1.068111 389.8429 1.387577 390.3250 1.530449 390.8071 1.346107 391.2892 1.029568 391.7714 0.7687800 392.2535 0.6137500 392.7356 0.6217120 393.2177 0.8980900 393.6998 1.540180 394.1819 1.960030 394.6641 2.035042 395.1462 2.023327 395.6283 2.065746 396.1104 2.145512 396.5925 2.173702 397.0746 2.093067 397.5568 1.914593 398.0389 1.700134 398.5210 1.469185 399.0031 1.175400 399.4852 0.7576680 399.9673 0.2988200 400.4495 0.1351130 400.9316 0.5162240 401.4137 0.8177340 401.8958 0.9550970 402.3779 0.7337230 402.8600 0.8945390 403.3422 1.668781 403.8243 2.562332 404.3064 3.425274 404.7885 4.196587 405.2706 4.792683 405.7527 5.101261 406.2349 5.184086 406.7170 5.549969 407.1991 6.490131 407.6812 7.297867 408.1633 7.807816 408.6454 8.112278 409.1276 8.322372 409.6097 8.478481 410.0918 8.524681 410.5739 8.327312 411.0560 7.825867 411.5381 7.413261 412.0203 7.194408 412.5024 7.049995 412.9845 6.865910 413.4666 6.676388 413.9487 6.650150 414.4308 6.995708 414.9130 7.610237 415.3951 8.103127 415.8772 8.444656 416.3593 8.736031 416.8414 8.925900 417.3235 9.129181 417.8057 9.518883 418.2878 10.16183 418.7699 10.95161 419.2520 11.82829 419.7341 12.78257 420.2162 13.75018 420.6984 14.78442 421.1805 15.71722 421.6626 16.29362 422.1447 16.52138 422.6268 16.73438 423.1089 17.08459 423.5911 17.47552 424.0732 17.83926 424.5553 18.16962 425.0374 18.27478 425.5195 17.97549 426.0016 17.29610 426.4838 16.57169 426.9659 15.80373 427.4480 14.99241 427.9301 14.01773 428.4122 13.01041 428.8943 12.29833 429.3765 12.02316 429.8586 11.94281 430.3407 11.63403 430.8228 10.95854 431.3049 10.33903 431.7870 9.827934 432.2692 9.340557 432.7513 8.801067 433.2334 8.220509 433.7155 7.660259 434.1976 7.168556 434.6797 6.746746 435.1619 6.404400 435.6440 6.223045 436.1261 6.027485 436.6082 5.732849 437.0903 5.432934 437.5724 5.246185 438.0546 5.209206 438.5367 5.248379 439.0188 5.213306 439.5009 4.976070 439.9830 5.060108 440.4651 5.842617 440.9473 6.615887 441.4294 6.973438 441.9115 7.024517 442.3936 7.160412 442.8757 7.704388 443.3578 8.496449 443.8400 8.940197 444.3221 8.885994 444.8042 8.876194 445.2863 9.183086 445.7684 9.574280 446.2505 9.815571 446.7327 9.844395 447.2148 9.817791 447.6969 9.932045 448.1790 10.14305 448.6611 10.12943 449.1432 9.749466 449.6254 9.334007 450.1075 9.259102 450.5896 9.389488 451.0717 9.298119 451.5538 8.701694 452.0359 7.929909 452.5181 7.340721 453.0002 6.906719 453.4823 6.354240 453.9644 5.499302 454.4465 4.518005 454.9286 3.826965 455.4108 3.490761 455.8929 3.211246 456.3750 2.920353 456.8571 2.662651 457.3392 2.488747 457.8214 2.401531 458.3035 2.365311 458.7856 2.340973 459.2677 2.322178 459.7498 2.366562 460.2319 2.524914 460.7141 2.666267 461.1962 2.740002 461.6783 2.779785 462.1604 2.828655 462.6425 2.910393 463.1246 3.052345 463.6068 3.315216 464.0889 3.768070 464.5710 4.149353 465.0531 4.381149 465.5352 4.620148 466.0173 4.950027 466.4995 5.354523 466.9816 5.769104 467.4637 6.151367 467.9458 6.508297 468.4279 6.878788 468.9100 7.301704 469.3922 7.666412 469.8743 7.855698 470.3564 8.010010 470.8385 8.262119 471.3206 8.631123 471.8027 8.993622 472.2849 9.304146 472.7670 9.535389 473.2491 9.545387 473.7312 9.255550 474.2133 8.952316 474.6954 8.832241 475.1776 8.845402 475.6597 8.902271 476.1418 9.027798 476.6239 9.149651 477.1060 9.176964 477.5881 9.159531 478.0703 9.245014 478.5524 9.486588 479.0345 9.820984 479.5166 10.15100 479.9987 10.45651 480.4808 10.88074 480.9630 11.44978 481.4451 12.12838 481.9272 12.94883 482.4093 13.86193 482.8914 14.72610 483.3735 15.45150 483.8557 16.08850 484.3378 16.82270 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