#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:26:09 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1087 $ #$URL: svn://172.16.1.111/rod/cif/1/00/05/1000527.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_1000527 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 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 R050255.rod _rod_data_source.block 3500000 _rod_database.code 1000527 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 123.8610 0.0000000E+00 124.3431 3.062042 124.8252 1.159973 125.3074 0.7562870 125.7895 0.2799990 126.2716 0.6407170 126.7537 1.289612 127.2358 2.490204 127.7179 4.836304 128.2001 8.229706 128.6822 12.35846 129.1643 17.09393 129.6464 22.50266 130.1285 27.85889 130.6107 32.61841 131.0928 37.60144 131.5749 43.31924 132.0570 49.81567 132.5391 56.68445 133.0212 63.12915 133.5034 68.44788 133.9855 74.80978 134.4676 83.07666 134.9497 91.86340 135.4318 99.99396 135.9139 106.9906 136.3960 113.2809 136.8782 119.9730 137.3603 128.6151 137.8424 135.8747 138.3245 140.3900 138.8066 143.4879 139.2887 147.1743 139.7709 152.5901 140.2530 159.2516 140.7351 164.8717 141.2172 168.5800 141.6993 172.3288 142.1814 177.0004 142.6636 182.4327 143.1457 187.9105 143.6278 192.8825 144.1099 197.5357 144.5920 202.5708 145.0741 208.3842 145.5563 214.2862 146.0384 219.7281 146.5205 224.7454 147.0026 229.0602 147.4847 232.2728 147.9668 234.7232 148.4490 236.6965 148.9311 238.1423 149.4132 239.2354 149.8953 240.6138 150.3774 243.2795 150.8595 244.4128 151.3417 242.5140 151.8238 238.6616 152.3059 234.6278 152.7880 231.8337 153.2701 230.0824 153.7522 226.4232 154.2344 219.3600 154.7165 211.5491 155.1986 203.7843 155.6807 195.8203 156.1628 186.8672 156.6449 176.1104 157.1271 163.1726 157.6092 150.9627 158.0913 139.7722 158.5734 128.8226 159.0555 117.6218 159.5376 106.2411 160.0198 95.19205 160.5019 84.97070 160.9840 75.56628 161.4661 67.65836 161.9482 61.79904 162.4303 57.03873 162.9125 52.59225 163.3946 48.79004 163.8767 45.80240 164.3588 43.09888 164.8409 41.74936 165.3230 40.85675 165.8052 40.72638 166.2873 40.90814 166.7694 40.59567 167.2515 39.40912 167.7336 38.24661 168.2157 38.32312 168.6979 39.51129 169.1800 40.61920 169.6621 40.90567 170.1442 40.58896 170.6263 40.59094 171.1084 41.07806 171.5906 41.98163 172.0727 43.35217 172.5548 45.13809 173.0369 46.82944 173.5190 48.07111 174.0011 48.86139 174.4833 49.23404 174.9654 48.18796 175.4475 47.45712 175.9296 48.15744 176.4117 50.30566 176.8938 52.89316 177.3760 54.69153 177.8581 55.39249 178.3402 56.22363 178.8223 57.04523 179.3044 58.13928 179.7865 59.94940 180.2687 62.45691 180.7508 65.07858 181.2329 66.73236 181.7150 66.30838 182.1971 65.92471 182.6792 65.09122 183.1614 64.59805 183.6435 65.43604 184.1256 67.79312 184.6077 70.68863 185.0898 72.24411 185.5719 71.29379 186.0541 70.54922 186.5362 70.09613 187.0183 69.79779 187.5004 69.77502 187.9825 70.15128 188.4646 70.34961 188.9468 68.79727 189.4289 64.69748 189.9110 60.75851 190.3931 57.86066 190.8752 55.57471 191.3573 53.03033 191.8395 49.88196 192.3216 46.22070 192.8037 42.32394 193.2858 38.24908 193.7679 34.10391 194.2500 29.93735 194.7322 25.75443 195.2143 21.43423 195.6964 16.75098 196.1785 12.14920 196.6606 8.078583 197.1427 4.498993 197.6249 1.529541 198.1070 0.5307620 198.5891 1.712708 199.0712 2.963226 199.5533 5.191803 200.0354 7.082062 200.5176 7.238739 200.9997 5.419006 201.4818 3.204071 201.9639 2.520050 202.4460 3.732971 202.9281 4.118652 203.4103 2.471649 203.8924 0.1223140 204.3745 2.269775 204.8566 4.565186 205.3387 6.843231 205.8208 9.077911 206.3030 10.95911 206.7851 13.77618 207.2672 19.00824 207.7493 24.27972 208.2314 27.63623 208.7135 28.68442 209.1957 28.87122 209.6778 30.73553 210.1599 35.77490 210.6420 39.59406 211.1241 41.09045 211.6062 42.05231 212.0884 44.02603 212.5705 47.39438 213.0526 51.22488 213.5347 53.82983 214.0168 54.09918 214.4989 54.66525 214.9811 55.96503 215.4632 57.30768 215.9453 57.98422 216.4274 57.79071 216.9095 57.20438 217.3916 57.11078 217.8737 58.28821 218.3559 58.68301 218.8380 57.91745 219.3201 56.49594 219.8022 54.77823 220.2843 52.86835 220.7664 51.06870 221.2486 50.01324 221.7307 50.09329 222.2128 49.80920 222.6949 49.01001 223.1770 47.71274 223.6591 45.74829 224.1413 42.96530 224.6234 40.03189 225.1055 38.27402 225.5876 37.86395 226.0697 37.03802 226.5518 34.85860 227.0340 32.06227 227.5161 30.05934 227.9982 29.40395 228.4803 29.05664 228.9624 27.50716 229.4445 24.84639 229.9267 22.33371 230.4088 20.77107 230.8909 19.71146 231.3730 18.01591 231.8551 15.20218 232.3372 12.25310 232.8194 10.01927 233.3015 8.438797 233.7836 7.231613 234.2657 6.521179 234.7478 6.116348 235.2299 5.316513 235.7121 3.801010 236.1942 2.232941 236.6763 1.011856 237.1584 0.1222380 237.6405 0.5009460 238.1227 0.8055420 238.6048 0.8442230 239.0869 0.9026490 239.5690 0.9819490 240.0511 1.100632 240.5332 1.282196 241.0154 1.509048 241.4975 1.714294 241.9796 1.814697 242.4617 1.842880 242.9438 2.051041 243.4259 2.802460 243.9081 3.260605 244.3902 2.835144 244.8723 1.901779 245.3544 1.219955 245.8365 1.422363 246.3186 2.336960 246.8008 2.564362 247.2829 1.255692 247.7650 0.2365110 248.2471 0.4107510 248.7292 1.147430 249.2113 1.364273 249.6935 0.2748110 250.1756 1.868790 250.6577 3.361862 251.1398 3.377686 251.6219 3.630463 252.1040 4.590744 252.5862 5.936249 253.0683 7.102615 253.5504 7.704849 254.0325 8.039124 254.5146 9.599442 254.9967 14.52083 255.4789 18.25974 255.9610 19.56500 256.4431 19.47310 256.9252 19.27708 257.4073 19.60968 257.8894 20.36157 258.3716 21.16753 258.8537 22.36928 259.3358 23.36261 259.8179 23.52672 260.3000 23.54851 260.7821 24.55228 261.2643 27.09471 261.7464 30.36772 262.2285 32.22539 262.7106 30.29227 263.1927 29.70763 263.6748 31.70413 264.1570 34.67691 264.6391 36.77667 265.1212 37.35773 265.6033 37.24469 266.0854 38.08891 266.5675 40.57184 267.0497 43.02037 267.5318 45.64888 268.0139 48.09729 268.4960 49.87015 268.9781 50.84607 269.4602 51.54628 269.9424 52.77100 270.4245 54.85237 270.9066 56.68591 271.3887 57.78812 271.8708 58.89235 272.3529 60.92868 272.8351 64.03706 273.3172 67.23286 273.7993 69.35571 274.2814 70.06116 274.7635 70.83154 275.2456 71.30717 275.7278 72.05341 276.2099 73.92352 276.6920 76.91241 277.1741 79.67307 277.6562 80.92821 278.1383 80.50360 278.6205 80.07320 279.1026 79.68869 279.5847 79.25833 280.0668 78.75902 280.5489 78.17261 281.0310 77.38603 281.5132 76.23357 281.9953 74.76340 282.4774 73.55893 282.9595 73.54520 283.4416 73.01917 283.9237 70.55121 284.4059 66.40213 284.8880 62.11156 285.3701 58.48854 285.8522 55.49068 286.3343 52.76082 286.8164 50.52168 287.2986 48.26080 287.7807 45.44151 288.2628 42.26822 288.7449 39.68080 289.2270 38.25659 289.7091 37.48633 290.1913 36.18919 290.6734 34.18791 291.1555 32.21593 291.6376 30.65448 292.1197 29.41133 292.6018 28.15445 293.0840 26.71080 293.5661 25.36986 294.0482 24.60841 294.5303 24.44980 295.0124 24.34714 295.4945 24.06149 295.9767 23.69676 296.4588 23.53656 296.9409 23.74403 297.4230 23.87427 297.9051 23.32938 298.3872 22.20993 298.8694 21.00171 299.3515 19.81543 299.8336 18.65599 300.3157 17.47974 300.7978 16.23375 301.2799 15.08302 301.7621 14.46332 302.2442 14.15997 302.7263 13.38687 303.2084 11.60889 303.6905 9.396057 304.1726 7.352554 304.6548 5.526901 305.1369 3.954620 305.6190 2.610947 306.1011 1.443634 306.5832 0.4301300 307.0653 0.4019780 307.5475 1.010986 308.0296 1.422882 308.5117 1.690399 308.9938 1.689697 309.4759 1.234695 309.9580 0.5396880 310.4402 5.8060002E-02 310.9223 0.5648500 311.4044 0.9259260 311.8865 0.9597700 312.3686 0.7547070 312.8507 0.8396000 313.3329 1.583603 313.8150 2.410652 314.2971 2.555595 314.7792 1.993187 315.2613 1.450897 315.7434 1.378830 316.2256 1.606812 316.7077 1.627800 317.1898 1.255173 317.6719 0.8720400 318.1540 0.9086150 318.6361 1.270981 319.1183 1.574593 319.6004 1.546005 320.0825 1.415588 320.5646 1.662979 321.0467 2.422241 321.5288 3.066238 322.0110 3.011848 322.4931 2.504181 322.9752 2.022614 323.4573 1.574615 323.9394 1.275101 324.4215 1.373436 324.9037 1.883881 325.3858 2.231522 325.8679 1.984138 326.3500 1.451256 326.8321 1.184845 327.3142 1.292519 327.7964 1.509796 328.2785 1.726036 328.7606 1.918266 329.2427 1.947136 329.7248 1.784439 330.2069 1.401047 330.6891 0.6683350 331.1712 0.4783020 331.6533 1.370323 332.1354 1.555405 332.6175 1.248550 333.0996 1.006996 333.5818 1.001007 334.0639 0.9113160 334.5460 0.2500310 335.0281 0.8577650 335.5102 1.801270 335.9923 2.302917 336.4745 2.585228 336.9566 2.971649 337.4387 3.500740 337.9208 3.967995 338.4029 4.131973 338.8850 4.115219 339.3671 4.306305 339.8492 4.889977 340.3314 5.579185 340.8135 6.083076 341.2956 6.434967 341.7777 7.006279 342.2598 8.162575 342.7419 9.506744 343.2241 10.15855 343.7062 9.882904 344.1883 9.516258 344.6704 9.261131 345.1525 9.210976 345.6346 9.719856 346.1168 11.03062 346.5989 12.61461 347.0810 13.68602 347.5631 14.27666 348.0452 14.64555 348.5273 14.67027 349.0095 14.59103 349.4916 14.71260 349.9737 15.06417 350.4558 15.58203 350.9379 16.26019 351.4200 17.09810 351.9022 17.91434 352.3843 18.80983 352.8664 19.68507 353.3485 20.37829 353.8306 20.84925 354.3127 21.24600 354.7949 21.74878 355.2770 22.28719 355.7591 22.35374 356.2412 21.30270 356.7233 20.57884 357.2054 21.05735 357.6876 22.17883 358.1697 22.79710 358.6518 22.43987 359.1339 21.64773 359.6160 21.39474 360.0981 22.03718 360.5803 22.19094 361.0624 21.07654 361.5445 19.73127 362.0266 19.27393 362.5087 19.85282 362.9908 20.79536 363.4730 21.45081 363.9551 21.78745 364.4372 21.87154 364.9193 21.39783 365.4014 20.96273 365.8835 20.91231 366.3657 21.19730 366.8478 21.60980 367.3299 22.04324 367.8120 22.51865 368.2941 23.07360 368.7762 23.16955 369.2584 23.94908 369.7405 26.37939 370.2226 29.31432 370.7047 31.20981 371.1868 31.54490 371.6689 31.09657 372.1511 31.22247 372.6332 32.20498 373.1153 33.21098 373.5974 34.19387 374.0795 35.26898 374.5616 36.59444 375.0438 38.10883 375.5259 39.57038 376.0080 40.74218 376.4901 41.61306 376.9722 42.56040 377.4543 43.48492 377.9365 44.56125 378.4186 46.10063 378.9007 47.81890 379.3828 49.13640 379.8649 49.68974 380.3470 49.78156 380.8292 50.44603 381.3113 52.18478 381.7934 53.72853 382.2755 55.18747 382.7576 56.30882 383.2397 56.75764 383.7219 56.49257 384.2040 55.87294 384.6861 55.50488 385.1682 55.65903 385.6503 54.97760 386.1324 52.64633 386.6146 50.15768 387.0967 47.96626 387.5788 46.11229 388.0609 44.55649 388.5430 43.42100 389.0251 42.48298 389.5073 40.78316 389.9894 37.94404 390.4715 35.13033 390.9536 32.78506 391.4357 30.60458 391.9178 28.17545 392.4000 25.35353 392.8821 22.63565 393.3642 20.81699 393.8463 20.02440 394.3284 18.89794 394.8105 16.71567 395.2927 14.47868 395.7748 12.99934 396.2569 12.22751 396.7390 11.38187 397.2211 9.682495 397.7032 7.467804 398.1854 5.990036 398.6675 5.444710 399.1496 5.292618 399.6317 5.608971 400.1138 6.022530 400.5959 5.761612 401.0781 4.119690 401.5602 2.297165 402.0423 1.684593 402.5244 2.229454 403.0065 2.905083 403.4886 3.497055 403.9708 3.835899 404.4529 3.676620 404.9350 2.961876 405.4171 2.102615 405.8992 1.076782 406.3813 7.6339997E-02 406.8635 0.5061720 407.3456 0.5687480 407.8277 0.4215010 408.3098 0.2554170 408.7919 9.5329002E-02 409.2740 0.2562710 409.7562 1.307556 410.2383 2.223923 410.7204 2.029312 411.2025 0.9940720 411.6846 0.3212280 412.1667 0.7145770 412.6489 1.817055 413.1310 2.488632 413.6131 2.612495 414.0952 2.579468 414.5773 2.542946 415.0594 2.342575 415.5416 1.619148 416.0237 0.3440700 416.5058 0.8811950 416.9879 1.287567 417.4700 0.6234210 417.9521 0.4040910 418.4343 0.9618840 418.9164 1.561569 419.3985 1.566757 419.8806 1.347931 420.3627 1.893257 420.8448 3.871674 421.3270 6.755989 421.8091 8.495300 422.2912 7.995598 422.7733 7.883492 423.2554 8.396553 423.7375 9.344368 424.2197 10.74441 424.7018 12.50658 425.1839 14.21098 425.6660 15.34843 426.1481 15.85532 426.6302 16.24358 427.1124 16.08898 427.5945 16.25716 428.0766 17.32612 428.5587 18.91122 429.0408 20.26567 429.5229 20.93143 430.0051 21.21759 430.4872 21.88055 430.9693 23.07768 431.4514 24.11043 431.9335 24.39526 432.4156 24.65708 432.8978 25.59097 433.3799 27.27731 433.8620 28.90571 434.3441 29.64652 434.8262 29.73962 435.3083 30.33392 435.7905 31.77607 436.2726 33.21795 436.7547 33.90106 437.2368 34.10179 437.7189 34.42595 438.2010 35.26579 438.6832 36.07281 439.1653 36.39793 439.6474 36.24664 440.1295 35.58874 440.6116 34.25565 441.0938 32.59247 441.5759 31.29156 442.0580 30.43834 442.5401 29.47990 443.0222 28.09324 443.5043 26.61173 443.9865 25.40257 444.4686 24.52354 444.9507 23.85066 445.4328 23.26093 445.9149 22.76564 446.3970 22.65401 446.8792 22.76040 447.3613 23.36268 447.8434 24.87680 448.3255 26.87897 448.8076 28.73248 449.2897 30.19090 449.7719 31.34373 450.2540 32.33940 450.7361 33.06400 451.2182 33.88456 451.7003 34.62228 452.1824 35.59222 452.6646 37.01468 453.1467 38.84650 453.6288 40.90208 454.1109 43.07078 454.5930 45.33086 455.0751 47.62347 455.5573 50.05869 456.0394 52.33405 456.5215 54.18675 457.0036 55.96661 457.4857 57.93446 457.9678 60.19079 458.4500 62.91239 458.9321 66.57544 459.4142 71.10603 459.8963 74.72482 460.3784 76.99155 460.8605 78.77499 461.3427 80.47573 461.8248 82.13435 462.3069 83.94598 462.7890 86.43085 463.2711 88.65829 463.7532 89.31439 464.2354 88.43646 464.7175 86.94157 465.1996 85.03798 465.6817 82.82752 466.1638 80.53188 466.6459 78.21043 467.1281 75.42104 467.6102 71.31703 468.0923 66.93871 468.5744 63.74368 469.0565 61.88443 469.5386 60.62979 470.0208 59.48003 470.5029 58.38200 470.9850 57.35854 471.4671 56.03162 471.9492 55.28140 472.4313 55.26856 472.9135 56.01077 473.3956 57.63747 473.8777 60.16389 474.3598 63.23841 474.8419 66.32915 475.3240 69.06732 475.8062 73.43076 476.2883 80.64462 476.7704 88.04111 477.2525 94.42627 477.7346 100.2145 478.2167 106.4728 478.6989 113.8864 479.1810 121.5928 479.6631 127.6239 480.1452 131.3801 480.6273 134.9849 481.1094 138.6265 481.5916 142.2955 482.0737 145.6871 482.5558 148.9779 483.0379 153.0067 483.5200 158.5431 484.0021 165.2710 484.4843 172.0817 484.9664 178.7719 485.4485 186.4053 485.9306 196.1704 486.4127 206.9395 486.8948 217.2079 487.3770 226.8102 487.8591 236.1311 488.3412 245.0840 488.8233 253.9452 489.3054 263.2316 489.7875 272.9480 490.2697 283.4188 490.7518 295.3994 491.2339 308.7331 491.7160 320.1485 492.1981 330.6595 492.6802 338.1700 493.1624 342.1924 493.6445 342.3279 494.1266 337.8442 494.6087 328.4300 495.0908 314.5345 495.5729 296.6035 496.0551 273.7174 496.5372 249.0222 497.0193 220.1142 497.5014 191.9952 497.9835 166.4733 498.4656 143.7617 498.9478 123.5604 499.4299 105.7185 499.9120 90.14125 500.3941 76.84736 500.8762 66.16938 501.3583 56.72808 501.8405 48.35845 502.3226 41.10148 502.8047 35.28020 503.2868 30.74969 503.7689 26.95600 504.2510 23.59156 504.7331 20.63724 505.2152 18.11017 505.6974 16.09811 506.1795 14.04818 506.6616 11.36368 507.1437 8.667412 507.6258 7.073555 508.1079 6.992378 508.5901 6.717697 509.0722 4.861465 509.5543 2.400604 510.0364 1.109848 510.5185 1.279373 511.0006 1.825958 511.4828 1.893768 511.9649 1.494881 512.4470 1.015587 512.9291 0.2059100 513.4113 0.3850330 513.8934 0.2770920 514.3755 3.3684000E-02 514.8576 0.2602770 515.3397 1.341843 515.8218 2.509094 516.3040 2.819672 516.7861 2.086189 517.2682 1.601730 517.7503 1.684181 518.2324 1.684067 518.7145 1.244751 519.1967 0.6495970 519.6788 0.4684370 520.1609 0.9783170 520.6430 1.480576 521.1251 0.7732850 521.6072 1.260765 522.0894 2.944138 522.5715 3.791100 523.0536 4.554535 523.5357 5.801544 524.0178 7.405479 524.4999 8.961891 524.9821 9.934860 525.4642 11.21827 525.9463 14.01985 526.4284 18.03912 526.9105 21.70735 527.3926 24.32145 527.8748 26.52395 528.3569 29.39409 528.8390 33.05338 529.3211 36.61330 529.8032 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