#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 14:00:57 +0300 (Thu, 26 Apr 2018) $ #$Revision: 600 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000139.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_1000139 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 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 R110214.rod _rod_data_source.block 3500000 _rod_database.code 1000139 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 107.0313 0.0000000E+00 107.5134 2.226563 107.9955 5.4687999E-02 108.4776 0.5273440 108.9597 3.523438 109.4418 13.12891 109.9240 33.47266 110.4061 57.41797 110.8882 79.32422 111.3703 96.43750 111.8524 109.7695 112.3345 122.7305 112.8167 133.8672 113.2988 150.1406 113.7809 175.0039 114.2630 203.2539 114.7451 230.3594 115.2272 253.6250 115.7094 273.3867 116.1915 292.0000 116.6736 320.8555 117.1557 337.6172 117.6378 333.8398 118.1199 321.6250 118.6021 294.5781 119.0842 266.5938 119.5663 248.0039 120.0484 234.4180 120.5305 217.4531 121.0126 196.0234 121.4948 173.4844 121.9769 150.8242 122.4590 128.5898 122.9411 104.7539 123.4232 80.42188 123.9053 62.34766 124.3875 55.80078 124.8696 57.43359 125.3517 58.62109 125.8338 60.24609 126.3159 58.26953 126.7980 49.81641 127.2802 35.76953 127.7623 20.22266 128.2444 4.273438 128.7265 12.66406 129.2086 22.23438 129.6907 13.66797 130.1729 4.484375 130.6550 3.054688 131.1371 10.12500 131.6192 20.65234 132.1013 28.11719 132.5834 32.64844 133.0656 32.75781 133.5477 25.29688 134.0298 15.81641 134.5119 8.566406 134.9940 4.878906 135.4761 3.007813 135.9583 0.8554690 136.4404 7.617188 136.9225 15.77344 137.4046 26.50000 137.8867 38.55078 138.3688 50.76172 138.8510 63.29297 139.3331 74.37500 139.8152 77.53516 140.2973 66.31250 140.7794 57.96094 141.2615 62.57031 141.7437 77.28906 142.2258 89.03906 142.7079 87.85547 143.1900 80.74219 143.6721 83.19141 144.1542 101.2070 144.6364 122.2891 145.1185 133.6406 145.6006 133.8359 146.0827 132.8047 146.5648 133.5977 147.0469 136.5820 147.5291 143.4180 148.0112 156.7578 148.4933 172.4258 148.9754 179.1055 149.4575 167.1602 149.9396 164.0234 150.4218 186.6016 150.9039 220.0898 151.3860 244.4688 151.8681 246.9531 152.3502 230.2148 152.8323 217.7500 153.3145 207.3047 153.7966 204.0391 154.2787 214.2930 154.7608 232.5469 155.2429 247.8594 155.7250 250.5703 156.2072 238.8867 156.6893 239.8203 157.1714 259.8711 157.6535 283.2695 158.1356 308.1523 158.6177 331.7148 159.0999 347.4727 159.5820 348.4297 160.0641 331.5547 160.5462 316.6016 161.0283 303.3398 161.5104 292.1875 161.9926 282.0859 162.4747 273.0820 162.9568 269.6367 163.4389 280.6719 163.9210 305.3125 164.4031 322.7773 164.8853 325.2227 165.3674 319.6367 165.8495 314.6523 166.3316 311.4219 166.8137 309.4375 167.2958 309.4844 167.7780 310.9023 168.2601 310.1289 168.7422 304.5430 169.2243 295.2266 169.7064 285.8867 170.1885 273.9492 170.6707 266.5273 171.1528 269.8477 171.6349 281.8633 172.1170 293.8984 172.5991 298.7266 173.0812 295.9492 173.5634 293.8281 174.0455 292.4062 174.5276 291.9258 175.0097 291.3438 175.4918 291.2188 175.9739 293.9219 176.4561 303.9922 176.9382 326.3750 177.4203 338.6680 177.9024 334.1797 178.3845 325.8672 178.8666 320.2734 179.3488 318.2422 179.8309 316.3359 180.3130 309.0508 180.7951 288.9375 181.2772 281.3555 181.7593 294.2539 182.2415 312.8633 182.7236 328.5117 183.2057 338.5820 183.6878 342.9219 184.1699 340.5156 184.6520 324.9570 185.1342 316.4375 185.6163 318.5469 186.0984 326.3398 186.5805 335.6562 187.0626 346.0352 187.5447 357.2578 188.0269 366.8047 188.5090 373.3008 188.9911 381.5391 189.4732 390.3711 189.9553 401.8281 190.4374 420.9727 190.9196 452.0273 191.4017 485.8906 191.8838 507.4961 192.3659 515.6406 192.8480 525.1641 193.3301 547.6367 193.8123 577.7695 194.2944 594.7734 194.7765 584.6094 195.2586 569.8242 195.7407 574.5938 196.2228 599.1484 196.7050 628.2617 197.1871 653.4570 197.6692 674.7617 198.1513 690.6797 198.6334 696.1094 199.1155 700.2969 199.5977 707.9023 200.0798 719.7539 200.5619 737.3086 201.0440 762.6641 201.5261 796.8242 202.0082 834.6172 202.4904 884.8242 202.9725 932.2852 203.4546 969.0664 203.9367 994.4023 204.4188 1013.000 204.9009 1028.172 205.3831 1035.477 205.8652 1053.340 206.3473 1104.707 206.8294 1149.305 207.3115 1162.555 207.7936 1141.098 208.2758 1098.430 208.7579 1053.480 209.2400 1011.406 209.7221 953.7656 210.2042 866.0273 210.6863 775.8320 211.1685 700.9258 211.6506 645.0039 212.1327 600.4922 212.6148 555.9180 213.0969 507.8828 213.5790 469.1758 214.0612 445.9570 214.5433 427.5586 215.0254 404.2305 215.5075 374.1953 215.9896 343.3281 216.4717 320.2695 216.9539 307.9023 217.4360 297.5430 217.9181 288.8789 218.4002 282.1602 218.8823 278.8164 219.3644 279.2266 219.8466 279.6719 220.3287 274.8516 220.8108 264.1289 221.2929 252.1016 221.7750 239.6914 222.2571 226.2852 222.7393 209.3750 223.2214 187.6641 223.7035 167.8398 224.1856 162.2695 224.6677 169.8672 225.1498 171.9336 225.6320 155.1367 226.1141 131.9961 226.5962 126.9648 227.0783 149.9727 227.5604 173.5273 228.0425 163.1055 228.5247 127.0664 229.0068 98.31641 229.4889 94.00391 229.9710 105.5273 230.4531 114.2500 230.9352 118.3203 231.4174 119.4375 231.8995 117.2461 232.3816 113.0273 232.8637 110.6055 233.3458 110.4609 233.8279 113.3242 234.3101 123.6016 234.7922 148.8398 235.2743 168.2344 235.7564 166.3867 236.2385 151.0078 236.7206 137.5703 237.2028 136.1172 237.6849 143.7070 238.1670 147.8125 238.6491 147.5469 239.1312 144.7461 239.6133 140.2227 240.0955 134.1836 240.5776 125.9727 241.0597 113.0469 241.5418 98.24609 242.0239 96.62109 242.5060 120.5430 242.9882 141.0742 243.4703 147.6172 243.9524 146.1211 244.4345 144.4766 244.9166 146.3594 245.3987 152.4805 245.8809 166.9883 246.3630 197.5039 246.8451 226.9141 247.3272 256.6289 247.8093 281.9453 248.2914 296.3164 248.7736 295.8789 249.2557 283.3672 249.7378 269.5391 250.2199 244.5781 250.7020 231.4453 251.1841 239.6992 251.6663 258.9766 252.1484 278.5156 252.6305 293.2969 253.1126 303.1953 253.5947 307.4375 254.0768 291.1016 254.5590 287.9570 255.0411 309.1562 255.5232 341.0078 256.0053 368.3555 256.4874 384.7930 256.9695 394.9570 257.4517 409.9180 257.9338 437.2305 258.4159 460.4062 258.8980 477.6094 259.3801 491.1992 259.8622 504.6484 260.3444 518.9531 260.8265 530.7383 261.3086 533.6445 261.7907 522.0352 262.2728 508.5547 262.7549 489.6094 263.2371 470.8047 263.7192 460.4414 264.2013 459.8867 264.6834 458.1406 265.1655 437.4492 265.6476 385.6602 266.1298 345.9336 266.6119 327.4414 267.0940 318.1250 267.5761 306.7656 268.0582 290.8750 268.5403 275.5977 269.0225 268.3984 269.5046 273.1133 269.9867 267.0430 270.4688 244.4844 270.9509 215.2109 271.4330 185.2031 271.9152 156.0977 272.3973 131.4844 272.8794 114.7344 273.3615 106.1758 273.8436 102.1875 274.3257 106.3398 274.8079 111.7266 275.2900 112.1953 275.7721 107.8438 276.2542 105.2031 276.7363 109.8203 277.2184 121.1133 277.7006 130.2852 278.1827 138.8281 278.6648 143.3477 279.1469 138.4531 279.6290 126.3203 280.1111 118.0508 280.5933 121.1875 281.0754 133.5039 281.5575 145.0352 282.0396 158.8125 282.5217 168.5078 283.0038 168.2812 283.4860 159.8047 283.9681 151.3164 284.4502 146.1445 284.9323 143.6797 285.4144 142.1172 285.8965 141.6172 286.3787 141.6953 286.8608 140.6172 287.3429 139.5820 287.8250 143.2930 288.3071 154.8398 288.7892 169.7617 289.2714 181.9922 289.7535 191.5781 290.2356 198.8477 290.7177 203.2773 291.1998 205.4062 291.6819 207.3867 292.1641 210.9688 292.6462 211.5820 293.1283 198.5469 293.6104 174.0625 294.0925 161.0469 294.5746 177.1953 295.0568 209.6250 295.5389 233.1680 296.0210 244.2305 296.5031 248.4492 296.9852 245.3750 297.4673 238.3516 297.9495 237.3086 298.4316 253.5781 298.9137 274.5977 299.3958 279.7227 299.8779 265.7266 300.3600 249.3320 300.8422 240.1211 301.3243 236.2891 301.8064 236.0352 302.2885 241.1641 302.7706 247.4141 303.2527 250.5859 303.7349 250.6680 304.2170 247.2734 304.6991 237.7539 305.1812 225.7305 305.6633 215.9492 306.1454 209.0430 306.6276 204.5430 307.1097 204.4492 307.5918 208.3047 308.0739 206.5781 308.5560 191.0391 309.0381 173.2969 309.5203 168.7383 310.0024 179.1094 310.4845 186.5273 310.9666 176.0430 311.4487 151.1055 311.9308 128.5117 312.4130 110.1094 312.8951 97.08203 313.3772 90.83594 313.8593 90.52734 314.3414 92.48438 314.8235 96.28125 315.3057 100.8320 315.7878 104.7109 316.2699 110.2734 316.7520 109.0195 317.2341 87.63281 317.7162 54.97266 318.1984 30.30469 318.6805 27.33984 319.1626 33.57031 319.6447 27.82422 320.1268 7.636719 320.6089 11.33594 321.0911 21.02344 321.5732 23.53906 322.0553 19.66797 322.5374 4.792969 323.0195 8.628906 323.5016 5.605469 323.9838 14.08984 324.4659 34.25000 324.9480 52.95312 325.4301 65.48438 325.9122 65.42578 326.3943 50.85156 326.8765 32.87500 327.3586 16.33594 327.8407 2.113281 328.3228 4.460938 328.8049 0.9335940 329.2870 9.515625 329.7692 27.89453 330.2513 53.00000 330.7334 68.12109 331.2155 56.36328 331.6976 29.57812 332.1797 17.31250 332.6619 26.93750 333.1440 38.94141 333.6261 35.24609 334.1082 21.45312 334.5903 10.23438 335.0724 10.64453 335.5546 12.89844 336.0367 1.910156 336.5188 23.62891 337.0009 47.32031 337.4830 60.61328 337.9651 65.20703 338.4473 63.22266 338.9294 47.65234 339.4115 36.95703 339.8936 55.19531 340.3757 97.83594 340.8578 124.2344 341.3400 109.5312 341.8221 76.33984 342.3042 62.37891 342.7863 71.54688 343.2684 82.66016 343.7505 82.54688 344.2327 75.11719 344.7148 71.79688 345.1969 75.90625 345.6790 83.66797 346.1611 91.56641 346.6432 99.28125 347.1254 105.4023 347.6075 109.8477 348.0896 112.5859 348.5717 113.1016 349.0538 111.2109 349.5359 108.9492 350.0181 107.0117 350.5002 106.1797 350.9823 108.0859 351.4644 114.0938 351.9465 121.0430 352.4286 128.9219 352.9108 136.7852 353.3929 139.0430 353.8750 130.8203 354.3571 117.3477 354.8392 111.2539 355.3214 112.6133 355.8035 119.2891 356.2856 137.9375 356.7677 160.1289 357.2498 168.7500 357.7319 157.6602 358.2141 139.3164 358.6962 130.7852 359.1783 134.0430 359.6604 134.7188 360.1425 129.1445 360.6246 121.6719 361.1068 115.2578 361.5889 110.4922 362.0710 110.0781 362.5531 118.7148 363.0352 135.7539 363.5173 138.6523 363.9995 113.6016 364.4816 89.49609 364.9637 78.59375 365.4458 79.52734 365.9279 88.74609 366.4100 105.5195 366.8922 126.5859 367.3743 141.1797 367.8564 135.3008 368.3385 142.6953 368.8206 188.0273 369.3027 240.0352 369.7849 257.8594 370.2670 231.1797 370.7491 187.0156 371.2312 162.5781 371.7133 166.1914 372.1954 166.3203 372.6776 161.1133 373.1597 154.4648 373.6418 148.6719 374.1239 143.7812 374.6060 137.9883 375.0881 128.9414 375.5703 117.1250 376.0524 114.5938 376.5345 139.0625 377.0166 152.6992 377.4987 138.3828 377.9808 110.2383 378.4630 88.25781 378.9451 81.91797 379.4272 86.25391 379.9093 89.19922 380.3914 89.00781 380.8735 91.19531 381.3557 99.42188 381.8378 106.1289 382.3199 104.0391 382.8020 93.22266 383.2841 81.42578 383.7662 77.92969 384.2484 84.56641 384.7305 91.35156 385.2126 99.22266 385.6947 105.4688 386.1768 107.2227 386.6589 105.7812 387.1411 104.0156 387.6232 103.2305 388.1053 102.8359 388.5874 103.6016 389.0695 111.3516 389.5516 113.6992 390.0338 103.6328 390.5159 87.86328 390.9980 73.04688 391.4801 61.90234 391.9622 53.34766 392.4443 43.27344 392.9265 30.08594 393.4086 26.87891 393.8907 50.33594 394.3728 71.68750 394.8549 70.05469 395.3370 50.05078 395.8192 31.60547 396.3013 32.23047 396.7834 44.06250 397.2655 37.72656 397.7476 4.109375 398.2297 23.77344 398.7119 20.29688 399.1940 3.406250 399.6761 3.355469 400.1582 9.753906 400.6403 26.26953 401.1224 28.13672 401.6046 16.48828 402.0867 6.824219 402.5688 5.589844 403.0509 6.410156 403.5330 0.7109380 404.0151 11.63672 404.4973 22.16016 404.9794 25.07422 405.4615 24.34375 405.9436 28.83594 406.4257 40.77344 406.9078 48.71484 407.3900 39.49609 407.8721 17.47266 408.3542 5.085938 408.8363 9.414063 409.3184 19.11328 409.8005 30.29297 410.2827 41.61719 410.7648 48.10938 411.2469 46.87109 411.7290 41.12109 412.2111 37.78906 412.6932 36.96484 413.1754 37.70703 413.6575 39.55078 414.1396 42.91406 414.6217 49.20703 415.1038 58.23828 415.5859 66.61328 416.0681 71.16797 416.5502 71.71094 417.0323 68.42969 417.5144 57.16797 417.9965 46.91016 418.4786 38.85938 418.9608 34.77734 419.4429 38.60156 419.9250 52.81250 420.4071 72.75781 420.8892 85.30859 421.3713 83.86328 421.8535 85.07031 422.3356 92.79688 422.8177 100.9883 423.2998 106.4766 423.7819 108.0234 424.2640 103.9492 424.7462 90.53516 425.2283 66.35547 425.7104 52.03906 426.1925 57.12109 426.6746 62.22656 427.1567 60.06641 427.6389 54.64062 428.1210 52.60938 428.6031 57.15625 429.0852 66.46875 429.5673 78.46875 430.0494 95.41016 430.5316 107.1406 431.0137 109.4336 431.4958 106.9297 431.9779 100.5508 432.4600 91.09375 432.9421 82.64844 433.4243 78.03906 433.9064 77.04297 434.3885 79.29297 434.8706 86.70703 435.3527 92.75781 435.8348 88.60547 436.3170 80.87500 436.7991 82.03125 437.2812 101.5156 437.7633 121.5664 438.2454 123.8594 438.7275 110.4766 439.2097 96.16406 439.6918 84.29297 440.1739 76.16797 440.6560 71.85156 441.1381 69.56250 441.6202 80.47656 442.1024 126.6250 442.5845 177.2812 443.0666 192.2812 443.5487 169.8750 444.0308 142.7969 444.5129 135.3320 444.9951 145.4297 445.4772 151.0742 445.9593 151.8867 446.4414 149.7109 446.9235 141.7148 447.4056 132.1367 447.8878 127.5312 448.3699 130.1016 448.8520 136.7500 449.3341 143.2227 449.8162 151.4219 450.2983 153.5273 450.7805 142.2617 451.2626 132.4805 451.7447 133.7695 452.2268 143.2578 452.7089 152.4258 453.1910 155.7930 453.6732 153.9531 454.1553 149.0781 454.6374 135.1211 455.1195 128.7344 455.6016 135.6641 456.0837 146.1562 456.5659 155.4375 457.0480 162.6250 457.5301 167.8633 458.0122 169.7070 458.4943 167.9688 458.9764 169.1289 459.4586 176.2188 459.9407 183.6602 460.4228 188.6523 460.9049 191.4258 461.3870 192.9961 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