#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:47:21 +0300 (Thu, 24 May 2018) $ #$Revision: 771 $ #$URL: svn://172.16.1.111/rod/cif/1/00/02/1000270.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_1000270 loop_ _publ_author_name 'Le Page, Y.' 'Perrault, G.' _publ_section_title ; Structure cristalline de la lemoynite, (Na,K)2CaZr2Si10O26,5-6H2O Note: x-coordinate of Na1 changed. ; _journal_name_full 'The Canadian Mineralogist' _journal_page_first 132 _journal_page_last 138 _journal_volume 14 _journal_year 1976 _chemical_compound_source R080106 _chemical_formula_sum 'Ca0.83 Cu0.01 Fe0.08 H14 K Mg0.04 Na Nb0.08 O32 Si10 Ti0.06 Zn0.02 Zr1.86' _chemical_name_mineral Lemoynite _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90 _cell_angle_beta 104.59 _cell_angle_gamma 90 _cell_length_a 10.384 _cell_length_b 15.947 _cell_length_c 18.601 _cell_volume 2980.880 _exptl_crystal_density_diffrn 2.428 _cod_original_formula_sum '(Zr1.86 Nb.08 Ti.06) Si10 Ca.83 Fe.08 Zn.02 Cu.01 Mg.04 Na K O32 H14' _cod_database_code 9004099 _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 R080106.rod _rod_data_source.block 3500000 _rod_database.code 1000270 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 9004099 COD http://www.crystallography.net/cod/9004099.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 145.3864 0.0000000E+00 145.8685 0.1831670 146.3506 1.310669 146.8327 4.020630 147.3148 7.687805 147.7969 12.52197 148.2791 16.89874 148.7612 20.46136 149.2433 23.45837 149.7254 26.59155 150.2075 29.35162 150.6896 32.65472 151.1718 36.92407 151.6539 44.26642 152.1360 49.42432 152.6181 50.90271 153.1002 49.92059 153.5823 50.14789 154.0645 53.17200 154.5466 56.44769 155.0287 58.88885 155.5108 59.95062 155.9929 60.66455 156.4750 60.99377 156.9572 60.96405 157.4393 60.81580 157.9214 60.95245 158.4035 60.73846 158.8856 59.86145 159.3677 57.85980 159.8499 55.52612 160.3320 53.17645 160.8141 50.85370 161.2962 48.23322 161.7783 44.35516 162.2604 40.36011 162.7426 37.15216 163.2247 35.84167 163.7068 34.95190 164.1889 34.13257 164.6710 33.10876 165.1531 32.10974 165.6353 31.59229 166.1174 31.22540 166.5995 30.82153 167.0816 30.49921 167.5637 29.89246 168.0458 29.27817 168.5280 28.35779 169.0101 26.96173 169.4922 26.33826 169.9743 25.91470 170.4564 25.08914 170.9385 23.59415 171.4207 21.80865 171.9028 19.92889 172.3849 17.99435 172.8670 16.17517 173.3491 14.53799 173.8312 13.04663 174.3134 11.64255 174.7955 10.55597 175.2776 9.538452 175.7597 8.161713 176.2418 6.341919 176.7239 4.699432 177.2061 3.992188 177.6882 3.819519 178.1703 3.596649 178.6524 3.472046 179.1345 3.153656 179.6166 3.027405 180.0988 3.225708 180.5809 3.321198 181.0630 2.776550 181.5451 1.678528 182.0272 0.4322200 182.5093 0.9735410 182.9915 2.362946 183.4736 3.223785 183.9557 3.445007 184.4378 3.319946 184.9199 3.270935 185.4020 3.319977 185.8842 3.339203 186.3663 3.101685 186.8484 2.702332 187.3305 2.464905 187.8126 2.452179 188.2947 2.422333 188.7769 2.138977 189.2590 1.561584 189.7411 1.102264 190.2232 1.344849 190.7053 2.107697 191.1874 1.893341 191.6696 0.3164060 192.1517 1.750275 192.6338 2.527466 193.1159 1.966827 193.5980 1.634003 194.0801 2.723450 194.5623 5.106201 195.0444 6.990570 195.5265 8.102295 196.0086 8.782959 196.4907 9.549591 196.9728 10.33569 197.4550 11.72647 197.9371 14.53125 198.4192 18.78741 198.9013 22.01566 199.3834 23.88019 199.8655 24.72467 200.3477 25.47079 200.8298 26.22980 201.3119 26.36017 201.7940 25.32291 202.2761 23.02502 202.7582 20.64856 203.2404 18.72937 203.7225 16.81189 204.2046 14.67871 204.6867 12.23550 205.1688 9.871490 205.6509 7.842194 206.1331 6.144379 206.6152 4.681671 207.0973 3.497284 207.5794 2.515076 208.0615 1.409363 208.5436 2.1360000E-03 209.0258 1.065857 209.5079 1.192963 209.9900 9.7778000E-02 210.4721 0.5108340 210.9542 0.2376100 211.4363 0.5285030 211.9185 0.4619140 212.4006 0.5670170 212.8827 2.145630 213.3648 4.069244 213.8469 6.444885 214.3290 8.839111 214.8112 11.32446 215.2933 13.77118 215.7754 15.73758 216.2575 17.02759 216.7396 18.20483 217.2217 19.66104 217.7038 21.62231 218.1860 23.15070 218.6681 24.11487 219.1502 24.60760 219.6323 24.98999 220.1144 25.43314 220.5965 25.48233 221.0787 24.85968 221.5608 23.45203 222.0429 21.68073 222.5250 19.45828 223.0071 16.90802 223.4892 14.48486 223.9714 11.89713 224.4535 9.872437 224.9356 9.012665 225.4177 10.31061 225.8998 10.31064 226.3819 8.269257 226.8641 4.883423 227.3462 2.586792 227.8283 1.539032 228.3104 1.325226 228.7925 1.897247 229.2746 3.916199 229.7568 5.100494 230.2389 4.668549 230.7210 3.462341 231.2031 4.404297 231.6852 8.979614 232.1673 13.49478 232.6495 16.09628 233.1316 16.08615 233.6137 15.65225 234.0958 14.51443 234.5779 13.04681 235.0600 12.35629 235.5422 12.78418 236.0243 13.50946 236.5064 14.13376 236.9885 14.38687 237.4706 15.15305 237.9527 16.52582 238.4349 18.38324 238.9170 20.41251 239.3991 22.60025 239.8812 24.91498 240.3633 27.38232 240.8454 30.24695 241.3276 32.67316 241.8097 34.56116 242.2918 36.08691 242.7739 37.53351 243.2560 38.80951 243.7381 40.13876 244.2203 41.68356 244.7024 43.68112 245.1845 45.25549 245.6666 46.33569 246.1487 47.00616 246.6308 47.44659 247.1130 47.59048 247.5951 47.65826 248.0772 47.72974 248.5593 47.90027 249.0414 47.62982 249.5235 46.89822 250.0057 45.85889 250.4878 44.65375 250.9699 43.07410 251.4520 41.63916 251.9341 40.63559 252.4162 40.23453 252.8984 39.40411 253.3805 37.96234 253.8626 36.19952 254.3447 34.57166 254.8268 33.04892 255.3089 31.68549 255.7911 30.59250 256.2732 29.83807 256.7553 28.76782 257.2374 27.21298 257.7195 25.48178 258.2017 23.98914 258.6838 22.90701 259.1659 21.63541 259.6480 19.91367 260.1301 17.72745 260.6122 15.93567 261.0944 14.73471 261.5765 13.65732 262.0586 12.06311 262.5407 9.533722 263.0228 7.673187 263.5049 6.971619 263.9871 7.379272 264.4692 7.769104 264.9513 8.166351 265.4334 8.522339 265.9155 8.769653 266.3976 8.819489 266.8798 8.912689 267.3619 9.206329 267.8440 9.741699 268.3261 10.03085 268.8082 9.829956 269.2903 9.726776 269.7725 10.42801 270.2546 12.23068 270.7367 13.62192 271.2188 14.22229 271.7009 14.26080 272.1830 14.72638 272.6652 15.67218 273.1473 16.90997 273.6294 18.39029 274.1115 20.24820 274.5936 21.62268 275.0757 22.41080 275.5579 22.69556 276.0400 22.57455 276.5221 21.94232 277.0042 21.34161 277.4863 21.10928 277.9684 21.25815 278.4506 21.18655 278.9327 20.77731 279.4148 20.23907 279.8969 19.87051 280.3790 19.64685 280.8611 19.76016 281.3433 20.56290 281.8254 22.05161 282.3075 22.86523 282.7896 22.86292 283.2717 22.45731 283.7538 22.16800 284.2360 21.98676 284.7181 22.06119 285.2002 22.48956 285.6823 23.26294 286.1644 24.29895 286.6465 25.64337 287.1287 27.09854 287.6108 28.35632 288.0929 29.41226 288.5750 30.48441 289.0571 31.70682 289.5392 33.09583 290.0214 34.60721 290.5035 36.28540 290.9856 37.54315 291.4677 37.32440 291.9498 35.92102 292.4319 35.21735 292.9141 36.17804 293.3962 37.97397 293.8783 38.63702 294.3604 38.13260 294.8425 37.31784 295.3246 36.75983 295.8068 36.47659 296.2889 36.57281 296.7710 37.25159 297.2531 38.05136 297.7352 38.06299 298.2173 37.44482 298.6995 37.04611 299.1816 37.71692 299.6637 39.02994 300.1458 40.01794 300.6279 40.38135 301.1100 40.64789 301.5922 41.52084 302.0743 42.87778 302.5564 44.23883 303.0385 45.33054 303.5206 46.24219 304.0027 47.11557 304.4849 47.94562 304.9670 48.76483 305.4491 49.68185 305.9312 50.61191 306.4133 51.35260 306.8954 52.18405 307.3776 52.58908 307.8597 51.82489 308.3418 49.76538 308.8239 47.54477 309.3060 46.01321 309.7881 44.86865 310.2703 43.67487 310.7524 42.38574 311.2345 40.88010 311.7166 38.94308 312.1987 36.59436 312.6808 34.37396 313.1630 32.76398 313.6451 31.34937 314.1272 29.66574 314.6093 27.12665 315.0914 24.70035 315.5735 22.95856 316.0557 21.79532 316.5378 20.66684 317.0199 19.46448 317.5020 18.14081 317.9841 16.60248 318.4662 14.52112 318.9484 12.73502 319.4305 11.95975 319.9126 11.73810 320.3947 10.85989 320.8768 7.665802 321.3589 4.726196 321.8411 3.496094 322.3232 4.988770 322.8053 6.172729 323.2874 6.517426 323.7695 6.196289 324.2516 5.484589 324.7338 3.664520 325.2159 2.157440 325.6980 1.467621 326.1801 1.775360 326.6622 2.162720 327.1443 2.804993 327.6265 3.399902 328.1086 3.644745 328.5907 3.541565 329.0728 3.075989 329.5549 1.905212 330.0370 1.3275000E-02 330.5192 0.8720400 331.0013 6.1767999E-02 331.4834 1.166901 331.9655 1.981628 332.4476 2.424896 332.9297 2.347382 333.4119 1.460052 333.8940 7.6600001E-03 334.3761 0.9295960 334.8582 1.281708 335.3403 1.222046 335.8224 0.7457580 336.3046 0.3878480 336.7867 1.202240 337.2688 1.635498 337.7509 1.773651 338.2330 1.780823 338.7151 1.631409 339.1973 1.423981 339.6794 1.087524 340.1615 0.5968320 340.6436 0.7570500 341.1257 1.801971 341.6078 3.004913 342.0899 3.384094 342.5721 2.886627 343.0542 2.279938 343.5363 1.722382 344.0184 1.250732 344.5005 1.111938 344.9826 1.364594 345.4648 1.542175 345.9469 1.137482 346.4290 0.2152100 346.9111 0.6961670 347.3932 1.571777 347.8753 2.311310 348.3575 2.560303 348.8396 2.373413 349.3217 2.293854 349.8038 3.007324 350.2859 4.099396 350.7680 4.472473 351.2502 3.902374 351.7323 3.000641 352.2144 2.378845 352.6965 1.982483 353.1786 1.668945 353.6607 1.641632 354.1429 1.518219 354.6250 0.7684630 355.1071 0.6474000 355.5892 2.348022 356.0713 4.113708 356.5534 5.969299 357.0356 7.955017 357.5177 10.53662 357.9998 12.89267 358.4819 14.08136 358.9640 14.32748 359.4461 14.85016 359.9283 16.34641 360.4104 18.35599 360.8925 20.57382 361.3746 23.30655 361.8567 25.57202 362.3388 26.67511 362.8210 26.99545 363.3031 27.43018 363.7852 28.29147 364.2673 29.29724 364.7494 30.33102 365.2315 31.38654 365.7137 32.44775 366.1958 33.56400 366.6779 34.65445 367.1600 35.63464 367.6421 36.46567 368.1242 37.21832 368.6064 37.92520 369.0885 38.59311 369.5706 39.11597 370.0527 39.45566 370.5348 39.69092 371.0169 39.84967 371.4991 39.66190 371.9812 39.89786 372.4633 40.95648 372.9454 42.47150 373.4275 43.15894 373.9096 42.98575 374.3918 42.05719 374.8739 40.25043 375.3560 37.23550 375.8381 34.77341 376.3202 33.00571 376.8023 31.63400 377.2845 30.09399 377.7666 28.25101 378.2487 27.05957 378.7308 27.15280 379.2129 28.25058 379.6950 28.36804 380.1772 27.37885 380.6593 26.05872 381.1414 25.09256 381.6235 24.44937 382.1056 23.71909 382.5877 22.68518 383.0699 21.71219 383.5520 21.69373 384.0341 22.54593 384.5162 23.35172 384.9983 23.29477 385.4804 22.80847 385.9626 22.92923 386.4447 23.85175 386.9268 24.87695 387.4089 25.48245 387.8910 25.64368 388.3731 25.27707 388.8553 23.68381 389.3374 22.04929 389.8195 21.73819 390.3016 22.68832 390.7837 23.68417 391.2658 23.99954 391.7480 23.94519 392.2301 23.80939 392.7122 23.66360 393.1943 23.55469 393.6764 23.34402 394.1585 23.19635 394.6407 23.50552 395.1228 25.07028 395.6049 26.61911 396.0870 27.37027 396.5691 26.80453 397.0512 26.84723 397.5334 28.33313 398.0155 30.47842 398.4976 32.28156 398.9797 32.81250 399.4618 33.89526 399.9439 36.18781 400.4261 39.67462 400.9082 42.42242 401.3903 43.84738 401.8724 45.06967 402.3545 46.75809 402.8366 48.82217 403.3188 51.54675 403.8009 55.28055 404.2830 59.73175 404.7651 64.05792 405.2472 68.19183 405.7293 72.01196 406.2115 75.35461 406.6936 78.19385 407.1757 81.70953 407.6578 86.01395 408.1399 90.50781 408.6220 94.58707 409.1042 98.32040 409.5863 102.2620 410.0684 106.6517 410.5505 111.2096 411.0326 115.5179 411.5147 119.5742 411.9969 123.4769 412.4790 127.3382 412.9611 131.2064 413.4432 135.0267 413.9253 138.8567 414.4074 142.6248 414.8896 146.4978 415.3717 150.2631 415.8538 153.4097 416.3359 155.4003 416.8180 156.8666 417.3001 158.2626 417.7823 159.6248 418.2644 160.8636 418.7465 162.0848 419.2286 163.1331 419.7107 163.8264 420.1928 163.8878 420.6750 163.8966 421.1571 163.9686 421.6392 164.1407 422.1213 164.5119 422.6034 165.3472 423.0855 166.1793 423.5677 166.8059 424.0498 167.1396 424.5319 167.5331 425.0140 168.1304 425.4961 168.7678 425.9782 169.2773 426.4604 169.5328 426.9425 169.8727 427.4246 170.3640 427.9067 170.9980 428.3888 171.6313 428.8709 172.1967 429.3531 172.8788 429.8352 174.0338 430.3173 175.9739 430.7994 176.6168 431.2815 175.7568 431.7636 173.8098 432.2458 171.4474 432.7279 168.6766 433.2100 165.1960 433.6921 160.6469 434.1742 155.3127 434.6563 150.3383 435.1385 145.6646 435.6206 141.1638 436.1027 136.8205 436.5848 132.5585 437.0669 128.0918 437.5490 123.2152 438.0312 118.4966 438.5133 114.5627 438.9954 111.2738 439.4775 108.2288 439.9596 105.1293 440.4417 102.2544 440.9239 99.92914 441.4060 98.17731 441.8881 96.57318 442.3702 94.93103 442.8523 93.31470 443.3344 91.77899 443.8166 90.58716 444.2987 89.17804 444.7808 87.33539 445.2629 85.12897 445.7450 82.75574 446.2271 80.26910 446.7093 77.64984 447.1914 74.83105 447.6735 71.65948 448.1556 68.78778 448.6377 66.86090 449.1198 64.82471 449.6020 61.45892 450.0841 55.90497 450.5662 50.98535 451.0483 47.27728 451.5304 44.51093 452.0125 41.53748 452.4947 38.22717 452.9768 35.03741 453.4589 32.34442 453.9410 30.14520 454.4231 27.31464 454.9052 23.59882 455.3874 19.86047 455.8695 17.29523 456.3516 15.74829 456.8337 14.17633 457.3158 12.15155 457.7979 9.956665 458.2801 8.041565 458.7622 6.406250 459.2443 4.983521 459.7264 4.156372 460.2085 3.372925 460.6906 1.692322 461.1728 1.261047 461.6549 3.918030 462.1370 4.921265 462.6191 4.923218 463.1012 4.854553 463.5833 5.031433 464.0655 5.243225 464.5476 5.436157 465.0297 5.604553 465.5118 5.690735 465.9939 5.655212 466.4760 5.563904 466.9582 5.461670 467.4403 5.411560 467.9224 5.249634 468.4045 4.937988 468.8866 4.535461 469.3687 4.093079 469.8509 3.504395 470.3330 3.097351 470.8151 3.059387 471.2972 3.317322 471.7793 3.094177 472.2614 2.247009 472.7436 1.278320 473.2257 0.4606320 473.7078 0.2128910 474.1899 0.5044560 474.6720 0.2819210 475.1541 3.5399999E-03 475.6363 0.3169560 476.1184 1.186096 476.6005 2.266296 477.0826 3.654541 477.5647 5.028687 478.0468 5.866455 478.5290 6.194214 479.0111 6.250916 479.4932 5.551208 479.9753 4.956421 480.4574 5.760010 480.9395 8.700806 481.4217 11.35968 481.9038 11.65247 482.3859 10.81622 482.8680 10.65735 483.3501 12.22528 483.8322 14.12140 484.3144 16.22760 484.7965 18.42426 485.2786 19.66736 485.7607 18.91443 486.2428 17.83331 486.7249 17.26489 487.2071 17.54211 487.6892 17.62250 488.1713 17.45190 488.6534 17.13037 489.1355 16.82745 489.6176 16.62427 490.0998 16.22540 490.5819 15.53094 491.0640 14.59790 491.5461 13.65668 492.0282 12.69519 492.5103 11.84619 492.9925 11.32080 493.4746 11.02582 493.9567 10.35107 494.4388 9.130798 494.9209 8.120056 495.4030 8.341797 495.8852 9.438232 496.3673 10.54907 496.8494 11.50574 497.3315 12.15680 497.8136 12.08734 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205.3798 525.2943 214.0363 525.7764 223.1663 526.2585 233.1698 526.7407 243.5369 527.2228 253.3643 527.7049 262.8456 528.1870 272.6925 528.6691 283.6490 529.1512 295.1407 529.6334 306.6023 530.1155 318.1190 530.5976 329.5938 531.0797 341.1271 531.5618 352.6374 532.0439 363.8579 532.5261 374.4958 533.0082 385.3160 533.4903 397.4437 533.9724 409.8998 534.4545 420.9072 534.9366 428.9992 535.4188 437.0543 535.9009 446.0043 536.3830 455.7991 536.8651 463.9666 537.3472 470.4156 537.8293 475.4464 538.3115 479.0648 538.7936 481.2288 539.2757 482.7821 539.7578 483.9128 540.2399 484.0037 540.7220 482.1516 541.2042 478.4774 541.6863 473.6540 542.1684 468.1315 542.6505 461.1807 543.1326 451.4360 543.6147 439.2775 544.0969 425.8590 544.5790 411.3474 545.0611 396.4797 545.5432 381.9728 546.0253 367.9680 546.5074 353.6880 546.9896 338.2335 547.4717 322.8342 547.9538 308.5165 548.4359 296.8715 548.9180 284.3610 549.4001 269.7438 549.8823 254.3226 550.3644 240.3264 550.8465 227.9398 551.3286 216.3975 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