#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 16:00:31 +0300 (Thu, 24 May 2018) $ #$Revision: 862 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000346.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_1000346 loop_ _publ_author_name 'Malinovskii, Y. A.' 'Pobedimskaya, E. A.' 'Belov, N. V.' _publ_section_title ; Crystal structure of muirite Ba9(Ca,Ba)(Ca,Ti)4(OH)8[Si8O24](Cl,OH)8 ; _journal_name_full 'Soviet Physics Doklady' _journal_page_first 163 _journal_page_last 164 _journal_volume 20 _journal_year 1975 _chemical_compound_source 'Big Creek, Fresno County, California, USA' _chemical_formula_sum 'Ba9.5 Ca3.5 Cl4 H12 O36 Si8 Ti' _chemical_name_mineral Muirite _space_group_IT_number 123 _symmetry_space_group_name_Hall '-P 4 2' _symmetry_space_group_name_H-M 'P 4/m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 14.000 _cell_length_b 14.000 _cell_length_c 5.625 _cell_volume 1102.500 _exptl_crystal_density_diffrn 3.686 _cod_original_formula_sum 'Ba9.5 Ca3.5 Ti Si8 O36 Cl4 H12' _cod_database_code 9015762 _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 R140248.rod _rod_data_source.block 3500000 _rod_database.code 1000346 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 9015762 COD http://www.crystallography.net/cod/9015762.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 99.42554 0.0000000E+00 99.90765 2.9967999E-02 100.3898 2.505676 100.8719 8.678772 101.3540 11.85706 101.8361 19.68604 102.3182 19.27313 102.8004 14.35236 103.2825 5.153748 103.7646 0.5565190 104.2467 2.390747 104.7288 1.145325 105.2109 1.344666 105.6931 4.548462 106.1752 9.699158 106.6573 17.29694 107.1394 26.23541 107.6215 39.21063 108.1036 59.67505 108.5858 85.42041 109.0679 104.1240 109.5500 113.1592 110.0321 117.6725 110.5142 120.3698 110.9963 118.2787 111.4785 117.8081 111.9606 119.9318 112.4427 124.5605 112.9248 129.7515 113.4069 134.3511 113.8890 139.7693 114.3712 147.2314 114.8533 157.9104 115.3354 169.7001 115.8175 182.4684 116.2996 196.5609 116.7817 209.5243 117.2639 220.4930 117.7460 230.0284 118.2281 238.8493 118.7102 247.8784 119.1923 255.9963 119.6744 262.2097 120.1566 266.1572 120.6387 269.3050 121.1208 271.8354 121.6029 274.0709 122.0850 276.7401 122.5671 278.2789 123.0493 281.2473 123.5314 288.4987 124.0135 301.0515 124.4956 316.5074 124.9777 334.8228 125.4598 354.8259 125.9420 371.7762 126.4241 379.8460 126.9062 383.0387 127.3883 388.9701 127.8704 400.2874 128.3525 413.5769 128.8347 424.9796 129.3168 434.4366 129.7989 440.2362 130.2810 440.7189 130.7631 436.3485 131.2452 428.8959 131.7274 417.9285 132.2095 404.6074 132.6916 391.6890 133.1737 379.0408 133.6558 367.3046 134.1379 356.7244 134.6201 347.3109 135.1022 339.2994 135.5843 333.5541 136.0664 329.5824 136.5485 323.8033 137.0306 316.7474 137.5128 308.6713 137.9949 299.6669 138.4770 289.1042 138.9591 279.3923 139.4412 270.8298 139.9233 263.2059 140.4055 257.9186 140.8876 255.9720 141.3697 255.1209 141.8518 251.8964 142.3339 244.9938 142.8160 237.1263 143.2982 229.1548 143.7803 220.8555 144.2624 214.7996 144.7445 211.9656 145.2266 211.0853 145.7087 209.2348 146.1909 205.5001 146.6730 201.9829 147.1551 199.5225 147.6372 198.6656 148.1193 198.0460 148.6014 198.6840 149.0836 199.7245 149.5657 198.1729 150.0478 191.0299 150.5299 183.7189 151.0120 178.5687 151.4941 176.8478 151.9763 175.7881 152.4584 175.8237 152.9405 176.6561 153.4226 176.8512 153.9047 176.8342 154.3868 175.7903 154.8690 173.2737 155.3511 167.2223 155.8332 161.8312 156.3153 158.9729 156.7974 158.0992 157.2795 154.8004 157.7617 145.5273 158.2438 134.7614 158.7259 125.6844 159.2080 119.8998 159.6901 115.0746 160.1722 111.1125 160.6544 107.9330 161.1365 104.0919 161.6186 98.08008 162.1007 91.48486 162.5828 85.81274 163.0649 82.05212 163.5471 78.73193 164.0292 75.46460 164.5113 72.22583 164.9934 68.41516 165.4755 63.11523 165.9576 57.19470 166.4398 51.78455 166.9219 47.72131 167.4040 43.95288 167.8861 39.49170 168.3682 34.19580 168.8503 29.72253 169.3325 28.47168 169.8146 28.61121 170.2967 27.18286 170.7788 20.37256 171.2609 12.83826 171.7430 9.626709 172.2252 11.50293 172.7073 13.45715 173.1894 10.88403 173.6715 5.321411 174.1536 0.2794190 174.6357 2.193970 175.1179 3.459839 175.6000 5.209351 176.0821 7.632446 176.5642 10.05005 177.0463 11.85327 177.5284 13.12830 178.0106 14.12073 178.4927 14.97888 178.9748 15.66040 179.4569 16.03528 179.9390 16.02612 180.4211 15.80579 180.9033 15.53320 181.3854 15.18799 181.8675 14.74304 182.3496 13.93005 182.8317 13.01257 183.3138 12.70630 183.7960 13.34009 184.2781 13.93494 184.7602 13.04675 185.2423 10.76941 185.7244 8.044189 186.2065 5.680420 186.6887 3.376343 187.1708 0.2763670 187.6529 5.725708 188.1350 11.89124 188.6171 16.74304 189.0992 20.35852 189.5814 23.73035 190.0635 27.40869 190.5456 31.43579 191.0277 35.65942 191.5098 40.21191 191.9919 44.79712 192.4741 48.34119 192.9562 50.75806 193.4383 53.62708 193.9204 58.60791 194.4025 65.50562 194.8846 70.68640 195.3668 73.10352 195.8489 74.25732 196.3310 78.23450 196.8131 85.42664 197.2952 92.40112 197.7773 96.30847 198.2595 97.00244 198.7416 99.34741 199.2237 104.4685 199.7058 111.1039 200.1879 115.6007 200.6700 117.7363 201.1522 119.0428 201.6343 120.2100 202.1164 121.1296 202.5985 123.2639 203.0806 127.1881 203.5627 132.1938 204.0449 136.1274 204.5270 139.0406 205.0091 140.6858 205.4912 140.5327 205.9733 138.2303 206.4554 136.2489 206.9376 135.0703 207.4197 134.3546 207.9018 132.8137 208.3839 130.3809 208.8660 127.3010 209.3481 123.5859 209.8303 119.0129 210.3124 114.8530 210.7945 111.3760 211.2766 108.4250 211.7587 105.1971 212.2408 101.5686 212.7230 97.93188 213.2051 94.62622 213.6872 91.89697 214.1693 88.47961 214.6514 83.76453 215.1335 78.22717 215.6157 74.54626 216.0978 73.52222 216.5799 72.76233 217.0620 70.54456 217.5441 66.14197 218.0262 62.32080 218.5084 59.36487 218.9905 57.16699 219.4726 55.46008 219.9547 54.81409 220.4368 53.70691 220.9189 50.90271 221.4011 45.30371 221.8832 41.00793 222.3653 38.83252 222.8474 38.24329 223.3295 36.64502 223.8116 33.49023 224.2938 30.23438 224.7759 27.77014 225.2580 26.38977 225.7401 25.12170 226.2222 24.02100 226.7043 22.96655 227.1865 21.44629 227.6686 19.37036 228.1507 16.95972 228.6328 14.32349 229.1149 11.38855 229.5970 8.382935 230.0792 5.205566 230.5613 1.977661 231.0434 0.8608400 231.5255 3.686890 232.0076 5.720825 232.4897 6.151123 232.9719 3.704712 233.4540 2.357910 233.9361 2.764038 234.4182 4.344971 234.9003 5.166504 235.3824 5.476196 235.8646 4.597046 236.3467 2.077148 236.8288 2.753052 237.3109 7.692261 237.7930 12.18066 238.2751 16.85205 238.7573 23.55212 239.2394 33.25574 239.7215 43.55969 240.2036 53.40186 240.6857 62.07507 241.1678 71.74658 241.6500 82.05908 242.1321 93.33154 242.6142 106.8297 243.0963 123.1816 243.5784 140.9539 244.0605 159.2555 244.5427 177.7096 245.0248 197.9415 245.5069 219.9099 245.9890 243.5942 246.4711 268.7770 246.9532 295.7555 247.4354 324.1667 247.9175 353.5096 248.3996 383.6707 248.8817 415.7257 249.3638 449.8092 249.8459 485.7543 250.3281 523.3381 250.8102 563.1462 251.2923 603.7621 251.7744 644.9292 252.2565 685.7610 252.7386 729.3016 253.2208 775.9563 253.7029 825.0056 254.1850 876.1293 254.6671 929.1744 255.1492 984.8328 255.6313 1043.170 256.1135 1104.106 256.5956 1166.412 257.0777 1228.776 257.5598 1292.898 258.0419 1361.395 258.5240 1435.128 259.0062 1509.480 259.4883 1583.300 259.9704 1655.050 260.4525 1730.272 260.9346 1809.576 261.4167 1890.455 261.8989 1970.521 262.3810 2049.906 262.8631 2126.457 263.3452 2199.136 263.8273 2268.884 264.3094 2334.061 264.7916 2395.822 265.2737 2453.057 265.7558 2505.968 266.2379 2554.854 266.7200 2597.646 267.2021 2635.503 267.6843 2667.600 268.1664 2686.902 268.6485 2691.200 269.1306 2687.207 269.6127 2680.593 270.0948 2672.191 270.5770 2657.263 271.0591 2634.666 271.5412 2605.045 272.0233 2570.505 272.5054 2531.354 272.9875 2487.689 273.4697 2439.635 273.9518 2386.568 274.4339 2329.941 274.9160 2269.250 275.3981 2205.777 275.8802 2141.469 276.3624 2077.054 276.8445 2012.862 277.3266 1949.757 277.8087 1887.940 278.2908 1824.434 278.7729 1758.996 279.2551 1691.854 279.7372 1624.790 280.2193 1557.454 280.7014 1490.996 281.1835 1425.304 281.6656 1360.383 282.1478 1296.457 282.6299 1233.250 283.1120 1171.603 283.5941 1112.834 284.0762 1056.718 284.5583 1003.445 285.0405 952.4583 285.5226 903.8455 286.0047 858.5779 286.4868 816.8083 286.9689 777.8767 287.4510 740.6238 287.9332 705.1150 288.4153 672.5665 288.8974 644.7284 289.3795 620.5698 289.8616 597.3561 290.3438 575.0570 290.8259 554.1429 291.3080 534.6793 291.7901 517.0549 292.2722 501.9857 292.7543 490.8353 293.2365 481.9946 293.7186 471.2610 294.2007 458.7079 294.6828 446.8462 295.1649 438.6583 295.6470 433.1908 296.1292 426.8501 296.6113 418.0286 297.0934 408.7507 297.5755 402.6206 298.0576 399.3600 298.5397 396.3104 299.0219 391.0189 299.5040 384.4906 299.9861 378.9142 300.4682 374.7207 300.9503 371.6365 301.4324 370.0626 301.9146 369.5927 302.3967 368.3765 302.8788 365.1829 303.3609 360.5792 303.8430 355.4725 304.3251 350.0499 304.8073 343.8894 305.2894 337.0735 305.7715 329.2488 306.2536 319.3885 306.7357 305.1058 307.2178 289.7285 307.7000 277.0524 308.1821 267.5707 308.6642 258.3357 309.1463 246.9883 309.6284 234.5045 310.1105 222.2037 310.5927 209.9077 311.0748 198.7753 311.5569 189.6456 312.0390 182.4238 312.5211 175.9979 313.0032 170.0272 313.4854 164.3103 313.9675 158.8270 314.4496 153.7633 314.9317 148.4224 315.4138 141.9172 315.8959 134.6904 316.3781 128.4741 316.8602 124.7383 317.3423 121.7645 317.8244 118.2845 318.3065 113.8041 318.7886 109.3315 319.2708 105.2791 319.7529 101.6443 320.2350 98.26355 320.7171 94.94678 321.1992 92.02576 321.6813 89.64429 322.1635 87.76746 322.6456 86.50500 323.1277 85.98218 323.6098 86.04834 324.0919 86.46106 324.5740 88.17896 325.0562 89.31396 325.5383 89.11792 326.0204 87.19897 326.5025 85.43591 326.9846 83.67249 327.4667 82.25916 327.9489 81.53723 328.4310 82.31909 328.9131 82.91528 329.3952 82.90613 329.8773 82.27539 330.3594 82.25073 330.8416 83.65149 331.3237 84.98645 331.8058 85.07556 332.2879 82.46948 332.7700 81.08044 333.2521 81.46643 333.7343 83.33008 334.2164 85.29150 334.6985 87.32849 335.1806 89.45325 335.6627 91.75562 336.1448 94.44214 336.6270 96.57031 337.1091 97.99170 337.5912 98.92041 338.0733 100.0033 338.5554 101.6165 339.0375 102.1833 339.5197 101.0055 340.0018 98.06030 340.4839 94.07007 340.9660 88.89368 341.4481 83.18091 341.9302 77.99377 342.4124 73.33936 342.8945 68.33850 343.3766 62.58191 343.8587 56.25781 344.3408 49.85498 344.8229 43.37854 345.3051 37.02417 345.7872 30.76990 346.2693 24.72876 346.7514 19.51465 347.2335 15.52490 347.7156 12.17932 348.1978 7.935059 348.6799 2.966431 349.1620 0.6293950 349.6441 0.7543950 350.1262 1.506226 350.6083 3.579468 351.0905 5.121216 351.5726 6.648193 352.0547 8.265869 352.5368 10.26807 353.0189 13.54590 353.5010 19.15466 353.9832 25.99316 354.4653 33.02856 354.9474 40.28870 355.4295 47.00952 355.9116 52.59485 356.3937 57.28271 356.8759 61.38318 357.3580 65.99402 357.8401 69.28406 358.3222 69.96545 358.8043 68.17615 359.2864 64.71973 359.7686 58.66895 360.2507 51.82678 360.7328 45.87158 361.2149 41.67883 361.6970 37.45142 362.1791 32.61316 362.6613 27.18201 363.1434 21.24512 363.6255 13.78955 364.1076 6.669067 364.5897 0.7716060 365.0718 3.385742 365.5540 7.265381 366.0361 11.14978 366.5182 14.90393 367.0003 18.34644 367.4824 21.27612 367.9645 24.11145 368.4467 27.38770 368.9288 31.05847 369.4109 32.73181 369.8930 31.36255 370.3751 28.89697 370.8572 26.65869 371.3394 25.65808 371.8215 23.11230 372.3036 17.81812 372.7857 10.80615 373.2678 6.052124 373.7499 4.919800 374.2321 3.668457 374.7142 0.5327150 375.1963 4.878418 375.6784 10.74194 376.1605 17.23303 376.6426 23.89978 377.1248 29.98962 377.6069 35.63477 378.0890 40.13501 378.5711 42.51379 379.0532 43.33618 379.5353 47.02917 380.0175 54.12451 380.4996 61.61865 380.9817 66.80823 381.4638 69.83447 381.9459 71.89917 382.4280 73.00232 382.9102 73.55127 383.3923 74.17175 383.8744 74.86755 384.3565 75.70618 384.8386 76.95715 385.3207 78.33484 385.8029 79.14612 386.2850 79.25598 386.7671 79.17419 387.2492 79.58032 387.7313 80.20483 388.2134 80.42505 388.6956 79.88464 389.1777 78.88098 389.6598 77.45410 390.1419 75.66370 390.6240 74.15198 391.1061 73.76599 391.5883 73.67834 392.0704 73.01379 392.5525 71.32568 393.0346 69.33643 393.5167 66.83984 393.9988 64.22180 394.4810 62.51172 394.9631 63.50916 395.4452 64.38477 395.9273 63.68481 396.4094 60.93457 396.8915 57.57751 397.3737 52.53418 397.8558 47.44666 398.3379 44.33594 398.8200 45.24829 399.3021 46.16150 399.7842 45.88574 400.2664 44.41577 400.7485 44.62793 401.2306 47.59595 401.7127 51.15930 402.1948 53.96350 402.6769 55.72876 403.1591 57.22302 403.6412 58.03259 404.1233 58.79138 404.6054 61.78125 405.0875 68.39441 405.5696 73.04175 406.0518 72.82117 406.5339 67.51025 407.0160 62.84985 407.4981 59.19983 407.9802 56.08521 408.4623 52.70032 408.9445 49.03027 409.4266 45.75806 409.9087 43.25256 410.3908 41.13379 410.8729 38.31909 411.3550 34.81848 411.8372 31.65466 412.3193 29.77661 412.8014 28.73938 413.2835 27.51416 413.7656 25.95667 414.2477 24.17725 414.7299 22.05383 415.2120 19.76648 415.6941 17.81323 416.1762 16.63196 416.6583 15.69482 417.1404 14.46204 417.6226 12.91431 418.1047 11.48865 418.5868 10.18335 419.0689 9.205933 419.5510 8.798462 420.0331 9.656128 420.5153 10.23303 420.9974 9.696655 421.4795 8.328003 421.9616 6.935669 422.4437 5.491943 422.9258 4.155640 423.4080 3.026489 423.8901 2.180908 424.3722 1.399048 424.8543 1.181763 425.3364 0.8740230 425.8185 0.2479250 426.3007 3.094116 426.7828 5.470825 427.2649 6.813599 427.7470 7.083618 428.2291 7.007202 428.7112 6.338501 429.1934 5.928467 429.6755 6.215698 430.1576 7.320435 430.6397 7.367065 431.1218 6.198730 431.6039 4.765625 432.0861 4.199707 432.5682 4.435425 433.0503 4.655396 433.5324 4.931396 434.0145 5.041870 434.4966 3.905273 434.9788 1.549683 435.4609 0.9953610 435.9430 2.753052 436.4251 4.062622 436.9072 5.919434 437.3893 8.689331 437.8715 11.63440 438.3536 13.55054 438.8357 14.90015 439.3178 16.97913 439.7999 21.18140 440.2820 25.95422 440.7642 29.86353 441.2463 32.85242 441.7284 35.44507 442.2105 37.67651 442.6926 39.77966 443.1747 41.98962 443.6569 44.69263 444.1390 47.10242 444.6211 48.55945 445.1032 49.47937 445.5853 51.00464 446.0674 53.16492 446.5496 56.16650 447.0317 60.28149 447.5138 66.00781 447.9959 71.33557 448.4780 75.23999 448.9601 79.54480 449.4423 86.27942 449.9244 96.57349 450.4065 106.8435 450.8886 116.5482 451.3707 125.7959 451.8528 135.3464 452.3350 145.2009 452.8171 155.5137 453.2992 166.4224 453.7813 177.9583 454.2634 190.2202 454.7455 203.0338 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