#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 14:03:08 +0300 (Thu, 26 Apr 2018) $ #$Revision: 633 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000167.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_1000167 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 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 R140248.rod _rod_data_source.block 3500000 _rod_database.code 1000167 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 166.7701 0.0000000E+00 167.2522 1.633484 167.7343 2.622375 168.2164 1.685486 168.6985 0.4990840 169.1807 1.341431 169.6628 2.573853 170.1449 3.240784 170.6270 3.319458 171.1091 4.901672 171.5912 5.281311 172.0734 6.123779 172.5555 6.576538 173.0376 6.835938 173.5197 6.773865 174.0018 5.929504 174.4839 3.763428 174.9661 0.7504880 175.4482 0.3682860 175.9303 1.942749 176.4124 7.100647 176.8945 12.08728 177.3766 15.06513 177.8588 17.27118 178.3409 19.27496 178.8230 21.26373 179.3051 23.53741 179.7872 27.24744 180.2693 29.67352 180.7515 30.11444 181.2336 28.78699 181.7157 26.37073 182.1978 23.35010 182.6799 19.63910 183.1620 16.12665 183.6441 12.96967 184.1263 9.827454 184.6084 6.167725 185.0905 2.227173 185.5726 1.027832 186.0547 2.660095 186.5368 2.417603 187.0190 1.695740 187.5011 7.8247003E-02 187.9832 1.703796 188.4653 3.232239 188.9474 4.442139 189.4296 5.260986 189.9117 5.438049 190.3938 5.000000 190.8759 4.867065 191.3580 4.613892 191.8401 4.957703 192.3223 7.203552 192.8044 11.85242 193.2865 16.55750 193.7686 18.68597 194.2507 18.94409 194.7328 19.18945 195.2150 19.84424 195.6971 20.88715 196.1792 22.32483 196.6613 24.24609 197.1434 26.36957 197.6255 28.46222 198.1077 30.57025 198.5898 32.80548 199.0719 35.57294 199.5540 38.61230 200.0361 40.74725 200.5182 41.47498 201.0004 41.97205 201.4825 42.69629 201.9646 44.07361 202.4467 46.19891 202.9288 48.98688 203.4109 52.34540 203.8930 54.56573 204.3752 55.49274 204.8573 56.27386 205.3394 57.42615 205.8215 58.74976 206.3036 59.68402 206.7857 59.68372 207.2679 58.67590 207.7500 58.18701 208.2321 59.16742 208.7142 59.81842 209.1963 59.48694 209.6784 58.30273 210.1606 56.70270 210.6427 54.94147 211.1248 52.89703 211.6069 51.91223 212.0890 52.94110 212.5711 54.03076 213.0533 54.26941 213.5354 53.81512 214.0175 53.40137 214.4996 53.67590 214.9817 54.68488 215.4638 56.19568 215.9460 58.42365 216.4281 60.84094 216.9102 63.58954 217.3923 66.43085 217.8744 68.62622 218.3565 69.40662 218.8387 68.55896 219.3208 67.91858 219.8029 67.63660 220.2850 67.40912 220.7671 67.03485 221.2492 66.51691 221.7314 65.99139 222.2135 65.53992 222.6956 65.17816 223.1777 65.03735 223.6598 65.65045 224.1419 66.09686 224.6240 65.96185 225.1062 64.88147 225.5883 63.38434 226.0704 61.92499 226.5525 60.40991 227.0346 58.31781 227.5167 55.62317 227.9989 52.34497 228.4810 48.32074 228.9631 43.52441 229.4452 38.67804 229.9273 34.21539 230.4094 30.15289 230.8916 26.49316 231.3737 23.62299 231.8558 20.95990 232.3379 17.67743 232.8200 13.62109 233.3021 9.792053 233.7843 6.884399 234.2664 4.712524 234.7485 3.233948 235.2306 2.950012 235.7127 2.938416 236.1948 1.698181 236.6770 1.166931 237.1591 3.694092 237.6412 4.641907 238.1233 4.762573 238.6054 4.846741 239.0875 5.255615 239.5697 5.556763 240.0518 4.926514 240.5339 3.051636 241.0160 1.244568 241.4981 0.2554320 241.9802 0.5170900 242.4624 1.663635 242.9445 3.406616 243.4266 5.340942 243.9087 6.884338 244.3908 7.859253 244.8729 9.410278 245.3550 12.03217 245.8372 15.25159 246.3193 18.83643 246.8014 22.75031 247.2835 26.59375 247.7656 29.68542 248.2477 31.73401 248.7299 33.65228 249.2120 35.46991 249.6941 37.31244 250.1762 39.30261 250.6583 41.47913 251.1404 43.75195 251.6226 46.00189 252.1047 48.32385 252.5868 50.37140 253.0689 51.73981 253.5510 53.11462 254.0331 55.19281 254.5153 58.06934 254.9974 61.05481 255.4795 62.95160 255.9616 62.74475 256.4437 63.68188 256.9258 66.04022 257.4080 69.15533 257.8901 72.80792 258.3722 76.85486 258.8543 81.05206 259.3364 85.04285 259.8185 88.61584 260.3007 92.53186 260.7828 97.09564 261.2649 101.7222 261.7470 106.0982 262.2291 110.1777 262.7112 113.9915 263.1934 117.5508 263.6755 120.6846 264.1576 124.2077 264.6397 128.6724 265.1218 132.9781 265.6039 136.8210 266.0861 140.0024 266.5682 142.1119 267.0503 142.5557 267.5324 140.9025 268.0145 140.3820 268.4966 142.0662 268.9788 143.6804 269.4609 144.0149 269.9430 143.2186 270.4251 142.2220 270.9072 141.7687 271.3893 141.9235 271.8715 141.3802 272.3536 139.3022 272.8357 137.5452 273.3178 136.9425 273.7999 137.3271 274.2820 138.2663 274.7642 139.6325 275.2463 141.2628 275.7284 141.3044 276.2105 138.3185 276.6926 135.5929 277.1747 134.6392 277.6568 134.8442 278.1389 134.7008 278.6211 133.3734 279.1032 131.0894 279.5853 128.7562 280.0674 126.3064 280.5495 123.8964 281.0316 121.6093 281.5138 119.3824 281.9959 117.2372 282.4780 115.2747 282.9601 113.1183 283.4422 109.6729 283.9243 104.0529 284.4065 99.00769 284.8886 95.31561 285.3707 92.47272 285.8528 89.87158 286.3349 87.35626 286.8170 84.74963 287.2992 81.56049 287.7813 77.40686 288.2634 74.00806 288.7455 71.50830 289.2276 69.97540 289.7097 69.72021 290.1919 70.84094 290.6740 72.62469 291.1561 74.30188 291.6382 75.86261 292.1203 77.35413 292.6024 78.33704 293.0846 79.50769 293.5667 81.77448 294.0488 85.23218 294.5309 88.71606 295.0130 90.85077 295.4951 91.74701 295.9773 94.00623 296.4594 98.70435 296.9415 104.0619 297.4236 108.8186 297.9057 112.9726 298.3878 117.0507 298.8700 121.2285 299.3521 125.5062 299.8342 130.0787 300.3163 135.2672 300.7984 140.4055 301.2805 145.4416 301.7627 150.2227 302.2448 154.1409 302.7269 156.7985 303.2090 158.4117 303.6911 159.8997 304.1732 162.2309 304.6554 163.0079 305.1375 160.5837 305.6196 155.7577 306.1017 150.5180 306.5838 145.5504 307.0659 140.6347 307.5481 135.4523 308.0302 130.1415 308.5123 124.2694 308.9944 117.3677 309.4765 109.8915 309.9586 102.6088 310.4408 95.70190 310.9229 89.17932 311.4050 83.02533 311.8871 77.13055 312.3692 72.25757 312.8513 69.35901 313.3335 67.19434 313.8156 64.20435 314.2977 60.15179 314.7798 55.86865 315.2619 52.09448 315.7440 48.78870 316.2262 45.38873 316.7083 41.32635 317.1904 37.52124 317.6725 34.89838 318.1546 33.40656 318.6367 32.18518 319.1188 30.81830 319.6010 29.22577 320.0831 27.19110 320.5652 24.32581 321.0473 21.40985 321.5294 18.87555 322.0115 16.65564 322.4937 14.34015 322.9758 11.53998 323.4579 8.809753 323.9400 7.735107 324.4221 9.028198 324.9042 10.09857 325.3864 10.28284 325.8685 9.594910 326.3506 7.693604 326.8327 4.188599 327.3148 0.4886470 327.7969 0.9077760 328.2791 0.3809200 328.7612 1.193787 329.2433 0.6922610 329.7254 0.4586180 330.2075 1.596008 330.6896 2.606506 331.1718 3.456116 331.6539 4.151123 332.1360 4.671204 332.6181 4.800476 333.1002 4.602905 333.5823 3.957092 334.0645 2.526733 334.5466 0.4342650 335.0287 1.572510 335.5108 2.927307 335.9929 3.749390 336.4750 4.903809 336.9572 7.012268 337.4393 8.762085 337.9214 9.012451 338.4035 8.465698 338.8856 8.994751 339.3677 11.67145 339.8499 15.50568 340.3320 17.68103 340.8141 17.53491 341.2962 17.11737 341.7783 16.61713 342.2604 16.16193 342.7426 16.12811 343.2247 16.63879 343.7068 16.94080 344.1889 15.77179 344.6710 12.09229 345.1531 9.802490 345.6353 9.846619 346.1174 10.74933 346.5995 11.49164 347.0816 11.94672 347.5637 12.37799 348.0458 12.97296 348.5280 13.70862 349.0101 14.71320 349.4922 15.95837 349.9743 17.51740 350.4564 19.41205 350.9385 21.62640 351.4207 24.13593 351.9028 26.91174 352.3849 29.93713 352.8670 33.23657 353.3491 36.47272 353.8312 40.49231 354.3134 45.94775 354.7955 51.92529 355.2776 57.59204 355.7597 62.63702 356.2418 66.99457 356.7239 70.62982 357.2061 73.90869 357.6882 75.43060 358.1703 73.73303 358.6524 71.51807 359.1345 70.92041 359.6166 71.91541 360.0987 72.81750 360.5808 71.85632 361.0630 68.74756 361.5451 66.39874 362.0272 66.47876 362.5093 65.61084 362.9914 61.82397 363.4735 56.24200 363.9557 51.10553 364.4378 47.76044 364.9199 45.93451 365.4020 44.45624 365.8841 43.45862 366.3662 42.68378 366.8484 42.41443 367.3305 42.17700 367.8126 41.29370 368.2947 39.61743 368.7768 37.91962 369.2589 37.67731 369.7411 39.98956 370.2232 40.71619 370.7053 38.07880 371.1874 35.29938 371.6695 33.84595 372.1516 33.86102 372.6338 34.85614 373.1159 36.60034 373.5980 39.06311 374.0801 41.38257 374.5622 43.67908 375.0443 45.60901 375.5265 47.26929 376.0086 48.51886 376.4907 48.92914 376.9728 48.05621 377.4549 46.84137 377.9370 47.66663 378.4192 51.49017 378.9013 54.71002 379.3834 56.08008 379.8655 56.67877 380.3476 57.08411 380.8297 57.36908 381.3119 57.67993 381.7940 58.41351 382.2761 59.53241 382.7582 59.97278 383.2403 59.16998 383.7224 58.11432 384.2046 57.50250 384.6867 57.24622 385.1688 56.95020 385.6509 56.44617 386.1330 55.79059 386.6151 54.92139 387.0973 53.69415 387.5794 52.54956 388.0615 52.25055 388.5436 52.03589 389.0257 50.68829 389.5078 47.46472 389.9900 44.04315 390.4721 41.79047 390.9542 40.60425 391.4363 40.14490 391.9184 40.88635 392.4005 41.87463 392.8827 41.48627 393.3648 39.61914 393.8469 37.84381 394.3290 37.13873 394.8111 36.80133 395.2932 35.76532 395.7754 33.86517 396.2575 31.25775 396.7396 27.54285 397.2217 22.98944 397.7038 20.11017 398.1859 20.37061 398.6681 21.09967 399.1501 20.63617 399.6323 19.15887 400.1144 17.30688 400.5965 15.18896 401.0786 13.24200 401.5607 12.93610 402.0428 15.43500 402.5250 17.22510 403.0071 17.31152 403.4892 16.57080 403.9713 15.71729 404.4534 14.98358 404.9355 14.82928 405.4177 16.00189 405.8998 19.04932 406.3819 20.50940 406.8640 19.36542 407.3461 17.82227 407.8282 16.60590 408.3104 15.88458 408.7925 15.92340 409.2746 17.00574 409.7567 18.70013 410.2388 19.04504 410.7209 15.94604 411.2031 14.21338 411.6852 15.35516 412.1673 17.40125 412.6494 18.49207 413.1315 18.14374 413.6136 17.10425 414.0958 16.27747 414.5779 15.63721 415.0600 15.32318 415.5421 15.93567 416.0242 16.31952 416.5063 15.78503 416.9885 14.64526 417.4706 13.73035 417.9527 13.68054 418.4348 14.14301 418.9169 13.76587 419.3990 11.91187 419.8812 10.64587 420.3633 11.11121 420.8454 12.13831 421.3275 12.69946 421.8096 12.54620 422.2917 12.02740 422.7739 11.36707 423.2560 10.57721 423.7381 9.979370 424.2202 9.670349 424.7023 9.496216 425.1844 9.363037 425.6666 9.256470 426.1487 9.137512 426.6308 8.975037 427.1129 8.798035 427.5950 8.692017 428.0771 8.674438 428.5593 8.527588 429.0414 8.174988 429.5235 7.580078 430.0056 6.678467 430.4877 5.261292 430.9698 4.022766 431.4520 3.504700 431.9341 3.380554 432.4162 3.041443 432.8983 2.347717 433.3804 1.313293 433.8625 0.2232670 434.3447 2.388733 434.8268 3.818115 435.3089 3.628967 435.7910 3.408630 436.2731 4.490906 436.7552 6.528381 437.2374 8.134216 437.7195 8.444397 438.2016 7.840576 438.6837 7.783752 439.1658 9.076416 439.6479 9.885864 440.1301 9.719666 440.6122 9.227905 441.0943 9.001770 441.5764 9.171387 442.0585 9.516357 442.5406 9.803650 443.0227 10.01904 443.5049 10.24030 443.9870 10.88275 444.4691 11.09052 444.9512 10.17084 445.4333 8.723206 445.9154 7.757080 446.3976 7.849365 446.8797 8.484314 447.3618 8.657532 447.8439 8.559753 448.3260 7.452881 448.8081 4.134216 449.2903 0.5050050 449.7724 2.225647 450.2545 4.019653 450.7366 5.663391 451.2187 7.706726 451.7008 10.08551 452.1830 12.35028 452.6651 14.23236 453.1472 16.60822 453.6293 20.53290 454.1114 25.14539 454.5935 29.08301 455.0757 31.38782 455.5578 34.17499 456.0399 39.73315 456.5220 47.46112 457.0041 54.52600 457.4862 59.56934 457.9684 64.86572 458.4505 74.19513 458.9326 87.49469 459.4147 99.68311 459.8968 108.7974 460.3789 117.2518 460.8611 126.7618 461.3432 137.4741 461.8253 149.4660 462.3074 163.1513 462.7895 177.9162 463.2716 191.5346 463.7538 203.8202 464.2359 215.3408 464.7180 227.6774 465.2001 238.5236 465.6822 245.9763 466.1643 249.4912 466.6465 248.7148 467.1286 242.9174 467.6107 231.5663 468.0928 219.9102 468.5749 207.9339 469.0570 195.5340 469.5392 182.0522 470.0213 168.3964 470.5034 155.8300 470.9855 144.8819 471.4676 135.3139 471.9497 126.9659 472.4319 120.1649 472.9140 113.2030 473.3961 105.0406 473.8782 97.44110 474.3603 91.63513 474.8424 87.37939 475.3246 83.39142 475.8067 78.85034 476.2888 74.15259 476.7709 70.16248 477.2530 66.95337 477.7351 63.82263 478.2173 60.41931 478.6994 57.00903 479.1815 54.07513 479.6636 51.83337 480.1457 49.27271 480.6278 45.11359 481.1100 40.47906 481.5920 37.56976 482.0742 36.81549 482.5563 36.90967 483.0384 36.92798 483.5205 36.82220 484.0026 36.02667 484.4847 33.94708 484.9669 31.85925 485.4490 30.24432 485.9311 28.98529 486.4132 27.83911 486.8953 26.71112 487.3774 25.66278 487.8596 24.79340 488.3417 24.11890 488.8238 23.52960 489.3059 22.67926 489.7880 22.29089 490.2701 23.26495 490.7523 24.93115 491.2344 25.71472 491.7165 24.50354 492.1986 22.09741 492.6807 21.08380 493.1628 22.47534 493.6450 22.84247 494.1271 19.70605 494.6092 16.37030 495.0913 15.34631 495.5734 16.70184 496.0555 18.45349 496.5377 19.23145 497.0198 19.19122 497.5019 18.92773 497.9840 18.47021 498.4661 18.06061 498.9482 17.56580 499.4304 17.29108 499.9125 17.85620 500.3946 19.60632 500.8767 21.46649 501.3588 23.00885 501.8409 24.27167 502.3231 25.53400 502.8052 26.91455 503.2873 27.99921 503.7694 28.08600 504.2515 27.07184 504.7336 27.49811 505.2158 30.17950 505.6979 33.28381 506.1800 36.68762 506.6621 40.12073 507.1442 42.78381 507.6263 44.32819 508.1085 45.65790 508.5906 48.24933 509.0727 52.42865 509.5548 56.69141 510.0369 61.30188 510.5190 65.70746 511.0012 69.81848 511.4833 73.56580 511.9654 76.69733 512.4475 78.92383 512.9296 81.04901 513.4117 84.63599 513.8939 89.87402 514.3760 95.29254 514.8581 100.8315 515.3402 106.2375 515.8223 111.1013 516.3044 115.5420 516.7866 120.3259 517.2687 126.5352 517.7508 132.8552 518.2329 137.4954 518.7150 140.5223 519.1971 143.0615 519.6793 145.4316 520.1614 147.8901 520.6435 151.0690 521.1256 155.2698 521.6077 159.1929 522.0898 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549.0883 226.8937 549.5704 228.7316 550.0526 232.1957 550.5347 235.5154 551.0168 237.3795 551.4989 238.3475 551.9810 239.4937 552.4631 241.0360 552.9453 243.0218 553.4274 245.6553 553.9095 248.9451 554.3916 251.3413 554.8737 252.0428 555.3558 252.9433 555.8380 255.3655 556.3201 257.9202 556.8022 258.4986 557.2843 256.7480 557.7664 254.5471 558.2485 254.1544 558.7307 255.6489 559.2128 256.6512 559.6949 256.9662 560.1770 257.0214 560.6591 257.1291 561.1412 257.0280 561.6234 256.4506 562.1055 255.3438 562.5876 253.6129 563.0697 250.6217 563.5518 246.9021 564.0339 244.4056 564.5161 243.5377 564.9982 242.8895 565.4803 241.2863 565.9624 239.0876 566.4445 237.8890 566.9266 239.0737 567.4088 239.2886 567.8909 236.7136 568.3730 232.8597 568.8551 229.6670 569.3372 227.4423 569.8193 225.1278 570.3015 221.7303 570.7836 217.3027 571.2657 213.1942 571.7478 209.9185 572.2299 206.2349 572.7120 202.1910 573.1942 197.5089 573.6763 191.6887 574.1584 184.7594 574.6405 177.6756 575.1226 170.9455 575.6047 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