#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:41:18 +0300 (Thu, 07 Jun 2018) $ #$Revision: 922 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000395.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_1000395 loop_ _publ_author_name 'Chao, G. Y.' _publ_section_title ; The crystal structure of carletonite, KNa4Ca4Si8O18(CO3)4(F,OH).H2O, a double-sheet silicate ; _journal_name_full 'American Mineralogist' _journal_page_first 765 _journal_page_last 778 _journal_volume 57 _journal_year 1972 _chemical_compound_source R050255 _chemical_formula_sum 'C4 H4.59 Al0.112 Ca3.76 F0.41 K0.882 Na3.658 O31.373 Si7.748' _chemical_name_mineral Carletonite _space_group_IT_number 127 _symmetry_space_group_name_Hall '-P 4 2ab' _symmetry_space_group_name_H-M 'P 4/m b m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 13.178 _cell_length_b 13.178 _cell_length_c 16.695 _cell_volume 2899.248 _exptl_crystal_density_diffrn 2.411 _cod_original_cell_volume 2899.249 _cod_original_formula_sum 'Si7.748 Al.112 Ca3.76 K.882 Na3.658 C4 O31.373 F.41 H4.59' _cod_database_code 9000278 _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 R050255.rod _rod_data_source.block 3500000 _rod_database.code 1000395 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 9000278 COD http://www.crystallography.net/cod/9000278.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 168.8156 0.0000000E+00 169.2978 0.2680050 169.7799 0.3424680 170.2620 2.442200 170.7441 7.133606 171.2262 11.19049 171.7083 12.14270 172.1905 12.28009 172.6726 14.00995 173.1547 18.05188 173.6368 22.58331 174.1189 26.28076 174.6010 29.12091 175.0832 31.12976 175.5653 31.49799 176.0474 31.29755 176.5295 32.04053 177.0116 34.46875 177.4937 37.86536 177.9759 40.58521 178.4580 42.65948 178.9401 44.79565 179.4222 47.95477 179.9043 51.41986 180.3864 53.74951 180.8686 54.44641 181.3507 54.47559 181.8328 54.75159 182.3149 55.35382 182.7970 56.79584 183.2791 59.25885 183.7613 62.82367 184.2434 68.13550 184.7255 77.07001 185.2076 90.20404 185.6897 104.8324 186.1718 117.1446 186.6540 126.2880 187.1361 134.6170 187.6182 142.4468 188.1003 148.9564 188.5824 153.7118 189.0645 157.3903 189.5467 161.5014 190.0288 166.0563 190.5109 170.3782 190.9930 174.4691 191.4751 178.1327 191.9572 179.9083 192.4394 179.4976 192.9215 177.0493 193.4036 173.0024 193.8857 167.3482 194.3678 159.8825 194.8499 150.9199 195.3321 140.4423 195.8142 126.5991 196.2963 107.8314 196.7784 86.05267 197.2605 67.74396 197.7426 53.21375 198.2248 40.66650 198.7069 28.74731 199.1890 17.33282 199.6711 7.966858 200.1532 1.158508 200.6353 3.381165 201.1175 7.171509 201.5996 10.26251 202.0817 11.89429 202.5638 11.09833 203.0459 7.591492 203.5280 2.966309 204.0102 2.035767 204.4923 7.607788 204.9744 14.38416 205.4565 22.49927 205.9386 31.15613 206.4207 39.65387 206.9029 48.01941 207.3850 57.91748 207.8671 70.33868 208.3492 84.58398 208.8313 96.40155 209.3134 105.9036 209.7956 114.2858 210.2777 124.3441 210.7598 136.9018 211.2419 148.6677 211.7240 158.7549 212.2061 167.3204 212.6883 176.7887 213.1704 187.8714 213.6525 198.8040 214.1346 207.7279 214.6167 214.2893 215.0988 220.2216 215.5810 226.2438 216.0631 232.1801 216.5452 235.7634 217.0273 236.7750 217.5094 235.7476 217.9915 233.0443 218.4736 228.3135 218.9558 222.7337 219.4379 216.6983 219.9200 210.1180 220.4021 202.3408 220.8842 193.1600 221.3663 183.1572 221.8485 172.7855 222.3306 161.3351 222.8127 151.0290 223.2948 142.9383 223.7769 136.7819 224.2590 129.2086 224.7412 119.0822 225.2233 108.8893 225.7054 100.7039 226.1875 95.40710 226.6696 90.64435 227.1517 86.00745 227.6339 81.42474 228.1160 76.42517 228.5981 70.72095 229.0802 64.95941 229.5623 59.71143 230.0444 54.75403 230.5266 50.70612 231.0087 48.16443 231.4908 46.94403 231.9729 44.16089 232.4550 39.23676 232.9371 33.44543 233.4193 27.56055 233.9014 20.57172 234.3835 15.68506 234.8656 14.17029 235.3477 15.60382 235.8298 15.43439 236.3120 12.71686 236.7941 9.494385 237.2762 6.939636 237.7583 3.988037 238.2404 4.133484 238.7225 9.645386 239.2047 19.46088 239.6868 24.04987 240.1689 20.90906 240.6510 15.77618 241.1331 12.34528 241.6152 11.00092 242.0974 10.69666 242.5795 12.28613 243.0616 15.10541 243.5437 14.82269 244.0258 9.545105 244.5079 3.706482 244.9901 9.1858000E-02 245.4722 0.2372440 245.9543 0.6018070 246.4364 1.430908 246.9185 2.494568 247.4007 2.643188 247.8828 1.181213 248.3649 0.2744750 248.8470 0.5227660 249.3291 1.992798 249.8112 1.976196 250.2934 1.899536 250.7755 8.374390 251.2576 13.08356 251.7397 15.42755 252.2218 16.88385 252.7039 17.98285 253.1861 18.18097 253.6682 19.38489 254.1503 21.92920 254.6324 25.43018 255.1145 28.81964 255.5966 32.05933 256.0787 35.22314 256.5609 38.29010 257.0430 41.13947 257.5251 44.15601 258.0072 47.40710 258.4893 50.53192 258.9714 53.19702 259.4536 55.55499 259.9357 57.36804 260.4178 58.57837 260.8999 59.10681 261.3820 60.23962 261.8641 62.04230 262.3463 64.16956 262.8284 66.30884 263.3105 68.36096 263.7926 70.60260 264.2747 73.25464 264.7568 76.49146 265.2390 78.97113 265.7211 80.22552 266.2032 81.32532 266.6853 84.01666 267.1674 88.84741 267.6495 93.55902 268.1317 97.29230 268.6138 100.0175 269.0959 103.1382 269.5780 106.6143 270.0601 110.5400 270.5422 115.0579 271.0244 120.2800 271.5065 125.6843 271.9886 131.0720 272.4707 136.5068 272.9528 142.3141 273.4349 148.4478 273.9171 154.8126 274.3992 161.4638 274.8813 168.4243 275.3634 175.3565 275.8455 182.0031 276.3276 188.4310 276.8098 195.3582 277.2919 203.1288 277.7740 210.4478 278.2561 215.9573 278.7382 219.4720 279.2203 222.7566 279.7025 226.0995 280.1846 229.4583 280.6667 232.9764 281.1488 236.9551 281.6309 239.6675 282.1130 239.2837 282.5952 235.7824 283.0773 232.6488 283.5594 230.7947 284.0415 229.1333 284.5236 224.7940 285.0057 217.6036 285.4879 209.4775 285.9700 201.4496 286.4521 193.5200 286.9342 185.7868 287.4163 178.4529 287.8984 170.9338 288.3806 161.9178 288.8627 151.3866 289.3448 141.1586 289.8269 132.1639 290.3090 124.3009 290.7911 117.2797 291.2733 111.0414 291.7554 105.5145 292.2375 101.0305 292.7196 97.44495 293.2017 93.83173 293.6838 89.35547 294.1660 84.44135 294.6481 80.47949 295.1302 77.61334 295.6123 75.17621 296.0944 72.42462 296.5765 69.54980 297.0587 67.08289 297.5408 65.31775 298.0229 63.95074 298.5050 62.54041 298.9871 61.08032 299.4692 59.47437 299.9514 57.70819 300.4335 55.77167 300.9156 53.73547 301.3977 51.82855 301.8798 49.55804 302.3619 46.00745 302.8441 41.23938 303.3262 36.52563 303.8083 33.18048 304.2904 30.36945 304.7725 26.40741 305.2546 20.27478 305.7368 14.07959 306.2189 9.831543 306.7010 7.280151 307.1831 5.514587 307.6652 4.567566 308.1473 4.383423 308.6295 4.526184 309.1116 4.776062 309.5937 5.572388 310.0758 7.492432 310.5579 10.24841 311.0400 13.14569 311.5222 15.54938 312.0043 18.12518 312.4864 21.57251 312.9685 26.16498 313.4506 30.54791 313.9327 33.95270 314.4149 36.66486 314.8970 39.14758 315.3791 42.64642 315.8612 45.13617 316.3433 45.11584 316.8254 42.44348 317.3076 39.23859 317.7897 36.08160 318.2718 33.00092 318.7539 29.97662 319.2360 26.97626 319.7181 24.08557 320.2003 21.31769 320.6824 18.67444 321.1645 16.31836 321.6466 14.91846 322.1287 13.45984 322.6108 11.24396 323.0930 6.181213 323.5751 2.554993 324.0572 2.036316 324.5393 3.801331 325.0214 4.764587 325.5035 3.736755 325.9857 2.374573 326.4678 1.390808 326.9499 0.7737430 327.4320 0.6484380 327.9141 1.750122 328.3962 3.293152 328.8784 3.670227 329.3605 1.768921 329.8426 0.1955570 330.3247 1.540466 330.8068 1.950806 331.2889 2.872803 331.7711 4.994080 332.2532 7.257324 332.7353 8.352905 333.2174 7.523743 333.6995 6.743103 334.1816 6.534973 334.6638 6.922546 335.1459 6.690033 335.6280 5.695862 336.1101 4.247986 336.5922 2.517517 337.0743 0.2634890 337.5565 1.586914 338.0386 2.704529 338.5207 3.337036 339.0028 4.738464 339.4849 7.217468 339.9670 9.670166 340.4492 11.10107 340.9312 11.18347 341.4134 12.87195 341.8955 16.89240 342.3776 21.87881 342.8597 25.16663 343.3418 26.65994 343.8239 27.11380 344.3061 26.27841 344.7882 24.36444 345.2703 23.81110 345.7524 24.81583 346.2345 26.54282 346.7166 28.35684 347.1988 30.18646 347.6809 30.99997 348.1630 29.70105 348.6451 27.36591 349.1272 26.93704 349.6093 28.42429 350.0915 30.62863 350.5736 32.37399 351.0557 33.95285 351.5378 36.26736 352.0199 39.73178 352.5020 43.72342 352.9842 47.71747 353.4663 51.66385 353.9484 55.14523 354.4305 58.07346 354.9126 60.32025 355.3947 61.65161 355.8769 61.91153 356.3590 61.66733 356.8411 61.26538 357.3232 60.73508 357.8053 60.12296 358.2874 59.92734 358.7696 59.35391 359.2517 57.76459 359.7338 55.10706 360.2159 51.78757 360.6980 47.40219 361.1801 42.74283 361.6623 38.75150 362.1444 35.56879 362.6265 33.27698 363.1086 32.48978 363.5907 32.96664 364.0728 32.78210 364.5550 30.25885 365.0371 27.29184 365.5192 25.24350 366.0013 25.30334 366.4834 25.24185 366.9655 24.65067 367.4477 23.49802 367.9298 21.98825 368.4119 19.31598 368.8940 17.16260 369.3761 16.07834 369.8582 16.22226 370.3404 17.06580 370.8225 19.34286 371.3046 21.95972 371.7867 23.55002 372.2688 22.78091 372.7509 22.99969 373.2331 25.27176 373.7152 29.52527 374.1973 32.43146 374.6794 33.25934 375.1615 33.81860 375.6436 35.64334 376.1258 39.41046 376.6079 41.91724 377.0900 42.14078 377.5721 41.35013 378.0542 43.46686 378.5363 49.12619 379.0185 54.88098 379.5006 58.60876 379.9827 60.34042 380.4648 63.03738 380.9469 66.87161 381.4290 71.19174 381.9112 75.30988 382.3933 79.23203 382.8754 83.07495 383.3575 86.82260 383.8396 90.48816 384.3217 94.00455 384.8039 97.37143 385.2860 100.6678 385.7681 104.2544 386.2502 107.8633 386.7323 110.8556 387.2144 113.0529 387.6966 114.5689 388.1787 115.5494 388.6608 116.0681 389.1429 116.1488 389.6250 115.5907 390.1071 114.6074 390.5893 113.7825 391.0714 113.4896 391.5535 112.2285 392.0356 108.4336 392.5177 103.0804 392.9998 97.63147 393.4820 92.19046 393.9641 87.30414 394.4462 83.65396 394.9283 81.16425 395.4104 78.34048 395.8925 73.73639 396.3747 69.05121 396.8568 65.51709 397.3389 64.07242 397.8210 62.83493 398.3031 61.25769 398.7852 59.61133 399.2674 58.62988 399.7495 59.16141 400.2316 59.65179 400.7137 59.65002 401.1958 59.18796 401.6779 57.99393 402.1601 55.52921 402.6422 52.67596 403.1243 50.42001 403.6064 49.03979 404.0885 47.79248 404.5706 46.76920 405.0528 45.85965 405.5349 43.97281 406.0170 40.65277 406.4991 37.48593 406.9812 35.86157 407.4633 36.08313 407.9455 35.25052 408.4276 32.93143 408.9097 29.78781 409.3918 26.61874 409.8739 23.40875 410.3560 20.89029 410.8382 19.77036 411.3203 19.63168 411.8024 18.89508 412.2845 17.53336 412.7666 15.65903 413.2487 12.79117 413.7309 9.409088 414.2130 6.937164 414.6951 5.903259 415.1772 5.682953 415.6593 6.101471 416.1414 6.872681 416.6236 6.781616 417.1057 4.210602 417.5878 0.8713380 418.0699 1.409729 418.5520 2.287750 419.0341 2.798309 419.5163 3.383362 419.9984 4.051453 420.4805 4.796112 420.9626 6.407867 421.4447 7.380798 421.9268 6.507385 422.4090 3.978760 422.8911 2.352448 423.3732 3.507050 423.8553 4.960236 424.3374 5.192047 424.8195 3.188110 425.3017 1.157776 425.7838 0.9364930 426.2659 2.940277 426.7480 4.554688 427.2301 5.554749 427.7122 6.456482 428.1944 7.254700 428.6765 7.864563 429.1586 9.375214 429.6407 12.36182 430.1228 15.41977 430.6049 17.08942 431.0871 16.89859 431.5692 17.48468 432.0513 19.63251 432.5334 22.52472 433.0155 23.51770 433.4977 22.39465 433.9798 21.45163 434.4619 21.86963 434.9440 23.56357 435.4261 26.39905 435.9082 30.63641 436.3904 34.73523 436.8725 36.51385 437.3546 36.56601 437.8367 36.81003 438.3188 38.02686 438.8009 39.65616 439.2830 41.09491 439.7651 42.33939 440.2473 43.32663 440.7294 44.53458 441.2115 45.22531 441.6936 44.33676 442.1757 41.19040 442.6578 38.21579 443.1400 37.07199 443.6221 36.94214 444.1042 36.57220 444.5863 34.82184 445.0684 33.43124 445.5505 33.07263 446.0327 33.74686 446.5148 34.91083 446.9969 36.14743 447.4790 38.04077 447.9611 40.96957 448.4432 45.57773 448.9254 50.29910 449.4075 54.80923 449.8896 59.50381 450.3717 65.23779 450.8538 72.58215 451.3359 79.82538 451.8181 86.38855 452.3002 92.30893 452.7823 98.50787 453.2644 105.1127 453.7465 111.9075 454.2286 118.5445 454.7108 125.0040 455.1929 132.5951 455.6750 141.6903 456.1571 151.8555 456.6392 162.1159 457.1213 172.6257 457.6035 184.1648 458.0856 197.6030 458.5677 212.4050 459.0498 227.5231 459.5319 242.8029 460.0140 258.8006 460.4962 276.7697 460.9783 295.8675 461.4604 314.4433 461.9425 332.1318 462.4246 348.8435 462.9067 364.9398 463.3889 379.9004 463.8710 392.0591 464.3531 400.9673 464.8352 406.8171 465.3173 409.8152 465.7994 410.1219 466.2816 406.1292 466.7637 397.3198 467.2458 384.1954 467.7279 367.1836 468.2100 342.5125 468.6921 318.4904 469.1743 295.0160 469.6564 272.7162 470.1385 253.4651 470.6206 238.6833 471.1027 224.9728 471.5848 210.6486 472.0670 195.2036 472.5491 182.9266 473.0312 174.0521 473.5133 167.4452 473.9954 161.7231 474.4775 156.8459 474.9597 153.9351 475.4418 153.4227 475.9239 154.7358 476.4060 156.4130 476.8881 158.5852 477.3702 162.6605 477.8524 169.7954 478.3345 179.3354 478.8166 190.2981 479.2987 202.7207 479.7808 215.8567 480.2629 229.0956 480.7451 242.4650 481.2272 255.9140 481.7093 269.9073 482.1914 283.5150 482.6735 295.5099 483.1556 306.5622 483.6378 318.5365 484.1199 331.0007 484.6020 345.2682 485.0841 361.9689 485.5662 381.0298 486.0483 402.4115 486.5305 425.5623 487.0126 451.3581 487.4947 480.7085 487.9768 512.7878 488.4589 548.6396 488.9410 588.7511 489.4232 632.4802 489.9053 679.2913 490.3874 729.9545 490.8695 782.1451 491.3516 836.2130 491.8337 892.6325 492.3159 945.8538 492.7980 996.6611 493.2801 1043.732 493.7622 1088.391 494.2443 1129.344 494.7264 1156.838 495.2086 1171.207 495.6907 1167.380 496.1728 1136.195 496.6549 1080.235 497.1370 1007.574 497.6191 913.9730 498.1013 811.3059 498.5834 709.8557 499.0655 609.4002 499.5476 518.3531 500.0297 441.9056 500.5118 376.7979 500.9940 320.3788 501.4761 272.1749 501.9582 231.2741 502.4403 199.7849 502.9224 175.0214 503.4045 152.2075 503.8867 130.0284 504.3688 110.8234 504.8509 95.84143 505.3330 85.21680 505.8151 75.03687 506.2972 64.97675 506.7794 55.92282 507.2615 48.70422 507.7436 43.61981 508.2257 38.51910 508.7078 33.01691 509.1899 27.83557 509.6721 24.60406 510.1542 23.28311 510.6363 21.37555 511.1184 17.51120 511.6005 12.71494 512.0826 9.523834 512.5648 7.815857 513.0469 6.515106 513.5290 4.853668 514.0111 3.131897 514.4932 1.882751 514.9753 1.290497 515.4575 0.5525820 515.9396 1.438416 516.4217 3.747162 516.9038 5.145538 517.3859 4.044281 517.8680 3.175812 518.3502 3.824097 518.8323 5.596436 519.3144 6.792114 519.7965 7.248016 520.2786 6.921326 520.7607 5.539124 521.2429 2.618683 521.7250 0.9111630 522.2071 1.149384 522.6892 1.790344 523.1713 1.429901 523.6534 1.0803000E-02 524.1356 2.182526 524.6177 5.340881 525.0998 8.990692 525.5819 11.81784 526.0640 13.83636 526.5461 16.29590 527.0283 19.62048 527.5104 23.86496 527.9925 29.61099 528.4746 36.86108 528.9567 43.95209 529.4388 49.13269 529.9210 53.60571 530.4031 58.92520 530.8852 65.50189 531.3673 72.88953 531.8494 81.07581 532.3315 90.00067 532.8137 99.42957 533.2958 110.3681 533.7779 120.8441 534.2600 129.6759 534.7421 137.1002 535.2242 145.8724 535.7064 156.2873 536.1885 167.8595 536.6706 180.4318 537.1527 194.1762 537.6348 207.9253 538.1169 221.1613 538.5991 234.9530 539.0812 250.2680 539.5633 266.9055 540.0454 285.3338 540.5275 306.0359 541.0096 327.7243 541.4918 348.0164 541.9739 366.9705 542.4560 385.9038 542.9381 406.0554 543.4202 426.4692 543.9023 446.2037 544.3845 465.0453 544.8666 481.1016 545.3487 493.6436 545.8308 502.1673 546.3129 506.2504 546.7950 506.0307 547.2772 500.7359 547.7593 489.6337 548.2414 473.4328 548.7235 453.0341 549.2056 426.5335 549.6877 398.1830 550.1699 367.5574 550.6520 335.3301 551.1341 305.5752 551.6162 277.8205 552.0983 252.3754 552.5804 229.4128 553.0626 209.0195 553.5447 190.7068 554.0268 174.6927 554.5089 160.1970 554.9910 146.2526 555.4731 133.1626 555.9553 121.3873 556.4374 111.1769 556.9195 101.9636 557.4016 92.70914 557.8837 83.75769 558.3658 76.12073 558.8480 70.89194 559.3301 66.85013 559.8122 63.11240 560.2943 59.65393 560.7764 56.76270 561.2585 55.68585 561.7407 54.44031 562.2228 51.52942 562.7049 45.86649 563.1870 41.36237 563.6691 39.36877 564.1512 38.27109 564.6334 36.67334 565.1155 34.00903 565.5976 31.78479 566.0797 30.25058 566.5618 29.12476 567.0439 27.69449 567.5261 25.89590 568.0082 24.19342 568.4903 22.87109 568.9724 21.76724 569.4545 20.25558 569.9366 18.35745 570.4188 16.84860 570.9009 16.70737 571.3830 17.18277 571.8651 16.98465 572.3472 15.86807 572.8293 14.62097 573.3115 13.80759 573.7936 13.11237 574.2757 12.22107 574.7578 11.03546 575.2399 9.921295 575.7220 8.823639 576.2042 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