#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:50:55 +0300 (Thu, 24 May 2018) $ #$Revision: 826 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000315.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_1000315 loop_ _publ_author_name 'Knobloch, D.' 'Pertlik, F.' 'Zemann, J.' _publ_section_title ; Crystal structure refinements of buetschliite and eitelite: a contribution to the stereochemistry of trigonal carbonate minerals Note: synthetic ; _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_page_first 230 _journal_page_last 236 _journal_volume 1980 _journal_year 1980 _chemical_compound_source R110214 _chemical_formula_sum 'C2 Mg Na2 O6' _chemical_name_mineral Eitelite _space_group_IT_number 148 _symmetry_space_group_name_Hall '-R 3' _symmetry_space_group_name_H-M 'R -3 :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 4.946 _cell_length_b 4.946 _cell_length_c 16.422 _cell_volume 347.908 _exptl_crystal_density_diffrn 2.725 _cod_original_sg_symbol_H-M 'R -3' _cod_original_formula_sum 'Na2 Mg C2 O6' _cod_database_code 9009293 _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 R110214.rod _rod_data_source.block 3500000 _rod_database.code 1000315 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 9009293 COD http://www.crystallography.net/cod/9009293.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 202.8254 0.0000000E+00 203.3075 2.101563 203.7896 115.5703 204.2717 286.4844 204.7538 445.3125 205.2360 575.8594 205.7181 694.3516 206.2002 813.5469 206.6823 934.6094 207.1644 1016.617 207.6465 1048.867 208.1287 1038.844 208.6108 1016.406 209.0929 981.3672 209.5750 929.6953 210.0571 855.3125 210.5392 754.0859 211.0214 648.2812 211.5035 535.7812 211.9856 422.1953 212.4677 325.7891 212.9498 249.9688 213.4319 187.8906 213.9140 136.5469 214.3962 97.08594 214.8783 69.56250 215.3604 53.21875 215.8425 49.53125 216.3246 60.35156 216.8067 86.36719 217.2889 125.3672 217.7710 179.2812 218.2531 254.5234 218.7352 321.2031 219.2173 370.6094 219.6994 408.8906 220.1816 462.4766 220.6637 535.2422 221.1458 615.4141 221.6279 695.3359 222.1100 778.8125 222.5921 853.0625 223.0743 918.5469 223.5564 974.6719 224.0385 1025.656 224.5206 1075.336 225.0027 1113.414 225.4848 1128.516 225.9670 1100.133 226.4491 1103.375 226.9312 1157.094 227.4133 1249.328 227.8954 1327.469 228.3775 1390.922 228.8597 1438.570 229.3418 1464.789 229.8239 1455.750 230.3060 1455.414 230.7881 1467.594 231.2702 1489.125 231.7524 1503.289 232.2345 1494.289 232.7166 1493.586 233.1987 1522.172 233.6808 1600.930 234.1629 1657.148 234.6451 1682.539 235.1272 1680.594 235.6093 1671.453 236.0914 1656.984 236.5735 1633.070 237.0556 1594.992 237.5378 1529.148 238.0199 1483.805 238.5020 1472.812 238.9841 1486.953 239.4662 1480.914 239.9483 1438.000 240.4305 1402.820 240.9126 1405.695 241.3947 1482.727 241.8768 1521.219 242.3589 1501.234 242.8410 1441.250 243.3232 1405.539 243.8053 1399.227 244.2874 1409.070 244.7695 1427.898 245.2516 1456.547 245.7337 1487.250 246.2159 1512.289 246.6980 1537.680 247.1801 1588.617 247.6622 1691.773 248.1443 1778.203 248.6264 1807.094 249.1086 1740.117 249.5907 1710.133 250.0728 1737.906 250.5549 1799.352 251.0370 1826.477 251.5191 1796.078 252.0013 1771.562 252.4834 1786.594 252.9655 1866.047 253.4476 1921.656 253.9297 1945.164 254.4118 1949.859 254.8940 1967.234 255.3761 2004.844 255.8582 2041.320 256.3403 2061.984 256.8224 2051.211 257.3046 2072.219 257.7867 2133.594 258.2688 2217.594 258.7509 2295.734 259.2330 2378.289 259.7151 2427.664 260.1973 2419.312 260.6794 2317.719 261.1615 2245.742 261.6436 2211.641 262.1257 2199.953 262.6078 2190.125 263.0900 2192.367 263.5721 2175.906 264.0542 2127.828 264.5363 2044.852 265.0184 1964.219 265.5005 1887.703 265.9827 1814.430 266.4648 1737.273 266.9469 1646.984 267.4290 1582.492 267.9111 1565.945 268.3932 1601.734 268.8754 1599.742 269.3575 1544.914 269.8396 1469.547 270.3217 1408.125 270.8038 1356.508 271.2859 1339.672 271.7681 1370.227 272.2502 1443.492 272.7323 1497.781 273.2144 1527.594 273.6965 1541.836 274.1786 1551.078 274.6608 1558.367 275.1429 1552.055 275.6250 1522.875 276.1071 1475.086 276.5892 1446.562 277.0714 1443.797 277.5535 1446.805 278.0356 1437.945 278.5177 1416.406 278.9998 1384.781 279.4819 1337.836 279.9641 1281.609 280.4462 1252.305 280.9283 1258.859 281.4104 1252.469 281.8925 1186.406 282.3746 1060.305 282.8568 935.9609 283.3389 822.4688 283.8210 721.4609 284.3031 638.6641 284.7852 577.5312 285.2673 524.6641 285.7495 468.8281 286.2316 412.6484 286.7137 374.2109 287.1958 361.7812 287.6779 366.1250 288.1600 360.9609 288.6422 344.8125 289.1243 337.4844 289.6064 352.6641 290.0885 385.5859 290.5706 414.3516 291.0527 433.2578 291.5349 449.8750 292.0170 481.1250 292.4991 523.5234 292.9812 558.9688 293.4633 570.1328 293.9454 564.7109 294.4276 566.3438 294.9097 575.5234 295.3918 595.1953 295.8739 639.9844 296.3560 702.9062 296.8381 753.4844 297.3203 768.3125 297.8024 762.1562 298.2845 770.3125 298.7666 796.1016 299.2487 814.2500 299.7308 782.4062 300.2130 720.3203 300.6951 684.6719 301.1772 711.8750 301.6593 770.9531 302.1414 824.8359 302.6235 872.2656 303.1057 908.6797 303.5878 931.5703 304.0699 939.9922 304.5520 929.5469 305.0341 886.5703 305.5162 836.3125 305.9984 805.3750 306.4805 792.0000 306.9626 783.5703 307.4447 775.6250 307.9268 766.1953 308.4089 752.9609 308.8911 738.0156 309.3732 715.3203 309.8553 674.1484 310.3374 619.6719 310.8195 569.0625 311.3016 527.4141 311.7838 496.0469 312.2659 477.9844 312.7480 478.2422 313.2301 479.6016 313.7122 477.9609 314.1943 470.1719 314.6765 449.1328 315.1586 394.6250 315.6407 338.1562 316.1228 298.3516 316.6049 278.1953 317.0870 273.9922 317.5692 305.1484 318.0513 346.8125 318.5334 363.9062 319.0155 326.3516 319.4976 278.3516 319.9797 234.4766 320.4619 195.2812 320.9440 167.0234 321.4261 163.9297 321.9082 166.1094 322.3903 154.6094 322.8724 100.9062 323.3546 55.57031 323.8367 36.18750 324.3188 41.55469 324.8009 40.92188 325.2830 22.38281 325.7651 1.601563 326.2473 10.75000 326.7294 25.72656 327.2115 29.18750 327.6936 30.35938 328.1757 134.6875 328.6578 200.1016 329.1400 203.1016 329.6221 182.3516 330.1042 151.3203 330.5863 89.13281 331.0684 50.35938 331.5505 53.80469 332.0327 79.16406 332.5148 81.76562 332.9969 59.57031 333.4790 23.36719 333.9611 23.18750 334.4432 78.99219 334.9254 138.6406 335.4075 208.4453 335.8896 270.7266 336.3717 296.0703 336.8538 263.3359 337.3359 241.4062 337.8180 253.5391 338.3001 299.2656 338.7823 334.3125 339.2644 365.4297 339.7465 376.0703 340.2286 339.8516 340.7107 247.5391 341.1928 176.6562 341.6750 149.0938 342.1571 154.5938 342.6392 154.6250 343.1213 152.1094 343.6034 135.6875 344.0855 88.56250 344.5677 12.91406 345.0498 47.71875 345.5319 88.32812 346.0140 110.7656 346.4961 114.8828 346.9782 101.3281 347.4604 81.86719 347.9425 62.41406 348.4246 42.35156 348.9067 20.35156 349.3888 4.296875 349.8709 28.14062 350.3531 43.01562 350.8352 52.03125 351.3173 67.00781 351.7994 89.87500 352.2815 122.2031 352.7636 172.9062 353.2458 240.9453 353.7279 304.5703 354.2100 330.7031 354.6921 340.6562 355.1742 375.7266 355.6563 486.8906 356.1385 586.7891 356.6206 567.0859 357.1027 450.5000 357.5848 351.9453 358.0669 355.0078 358.5490 401.0469 359.0312 436.9609 359.5133 455.3359 359.9954 459.5078 360.4775 450.7578 360.9596 430.8594 361.4417 402.4844 361.9239 337.2500 362.4060 290.1719 362.8881 308.2812 363.3702 413.1406 363.8523 480.9375 364.3344 425.8984 364.8166 329.5625 365.2987 284.3125 365.7808 354.2578 366.2629 436.1484 366.7450 509.5859 367.2271 571.9766 367.7093 616.4922 368.1914 634.4297 368.6735 640.0312 369.1556 640.1797 369.6377 610.8828 370.1198 601.7188 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121.5000 397.6005 132.1484 398.0826 161.0938 398.5647 207.4375 399.0468 244.7969 399.5290 278.3984 400.0111 298.7734 400.4932 297.3672 400.9753 237.7734 401.4574 207.3672 401.9395 233.9297 402.4217 299.4688 402.9038 315.3047 403.3859 243.4141 403.8680 181.0391 404.3501 183.8906 404.8322 281.7969 405.3144 342.1406 405.7965 354.1016 406.2786 340.2188 406.7607 335.3125 407.2428 341.1328 407.7249 344.7812 408.2071 337.7812 408.6892 323.1641 409.1713 323.6719 409.6534 340.6953 410.1355 362.4688 410.6176 376.4219 411.0998 386.4062 411.5819 408.7578 412.0640 447.7734 412.5461 489.9375 413.0282 518.2812 413.5103 532.8594 413.9925 533.4844 414.4746 512.6016 414.9567 480.0859 415.4388 454.7188 415.9209 439.8672 416.4030 416.1797 416.8852 360.4219 417.3673 287.0078 417.8494 219.2109 418.3315 171.6562 418.8136 129.5234 419.2957 79.03125 419.7779 24.28125 420.2600 14.73438 420.7421 14.91406 421.2242 1.812500 421.7063 6.164063 422.1884 5.539063 422.6706 3.398438 423.1527 4.023438 423.6348 10.66406 424.1169 5.625000 424.5990 30.89844 425.0811 60.72656 425.5633 61.28125 426.0454 21.40625 426.5275 20.77344 427.0096 82.66406 427.4917 162.3750 427.9738 223.0547 428.4560 254.3281 428.9381 284.7656 429.4202 321.8906 429.9023 357.4766 430.3844 367.4141 430.8665 349.3047 431.3487 311.3125 431.8308 242.9844 432.3129 141.0000 432.7950 98.75000 433.2771 133.4141 433.7592 187.4062 434.2414 184.3281 434.7235 129.0234 435.2056 70.89844 435.6877 21.39062 436.1698 16.56250 436.6519 33.87500 437.1341 30.64062 437.6162 20.89844 438.0983 8.765625 438.5804 2.265625 439.0625 1.109375 439.5446 20.19531 440.0268 32.04688 440.5089 2.445313 440.9910 55.84375 441.4731 116.0156 441.9552 182.1094 442.4373 232.9688 442.9195 246.8750 443.4016 223.5938 443.8837 203.5547 444.3658 203.3125 444.8479 210.8047 445.3300 215.5391 445.8122 195.8672 446.2943 196.6875 446.7764 245.6875 447.2585 320.5312 447.7406 364.6875 448.2227 351.0234 448.7049 329.7578 449.1870 316.5938 449.6691 315.1641 450.1512 304.2734 450.6333 282.4453 451.1154 255.1953 451.5976 226.2969 452.0797 193.8438 452.5618 174.6953 453.0439 184.9844 453.5260 205.7266 454.0081 160.7656 454.4903 36.83594 454.9724 62.39062 455.4545 68.51562 455.9366 5.828125 456.4187 76.75781 456.9008 141.0547 457.3830 196.3516 457.8651 229.4531 458.3472 247.1641 458.8293 272.8125 459.3114 325.5859 459.7935 375.5469 460.2757 375.1172 460.7578 332.7656 461.2399 296.3203 461.7220 304.3594 462.2041 327.1484 462.6862 340.4766 463.1684 344.0000 463.6505 328.1484 464.1326 273.2266 464.6147 202.4375 465.0968 144.8438 465.5789 124.9453 466.0611 107.8203 466.5432 88.91406 467.0253 68.10156 467.5074 36.96875 467.9895 32.71094 468.4716 89.11719 468.9538 105.5469 469.4359 59.81250 469.9180 24.49219 470.4001 6.601563 470.8822 4.148438 471.3643 25.32812 471.8465 61.78125 472.3286 89.32031 472.8107 95.80469 473.2928 86.20312 473.7749 100.9219 474.2570 145.1406 474.7392 181.9922 475.2213 176.0156 475.7034 134.3984 476.1855 105.1953 476.6676 93.64062 477.1497 96.67188 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531.1469 381.0938 531.6290 378.9531 532.1111 308.4531 532.5932 246.1719 533.0753 231.4219 533.5574 237.9062 534.0396 238.2500 534.5217 229.6016 535.0038 214.7812 535.4859 189.8047 535.9680 159.8828 536.4501 140.5938 536.9323 135.5625 537.4144 135.4766 537.8965 133.4219 538.3786 128.3281 538.8607 150.6719 539.3428 207.6562 539.8250 264.6875 540.3071 280.4531 540.7892 259.6641 541.2713 260.6016 541.7534 297.6797 542.2355 340.8906 542.7177 348.8438 543.1998 328.0156 543.6819 299.2266 544.1640 261.5547 544.6461 228.0234 545.1282 209.0078 545.6104 204.7266 546.0925 214.8672 546.5746 250.9297 547.0567 293.5391 547.5388 331.0312 548.0209 361.5156 548.5031 388.2188 548.9852 404.6797 549.4673 421.1953 549.9494 450.3750 550.4315 524.1562 550.9136 558.6797 551.3958 523.9375 551.8779 448.0234 552.3600 419.6641 552.8421 451.1562 553.3242 484.7812 553.8063 501.9375 554.2885 501.8438 554.7706 473.0938 555.2527 413.7656 555.7348 352.1875 556.2169 309.9453 556.6990 285.8359 557.1812 279.1562 557.6633 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