#\#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
370.6020 625.7812
371.0841 672.0156
371.5662 702.5000
372.0483 709.4219
372.5304 707.3984
373.0125 704.0469
373.4947 706.6719
373.9768 680.6875
374.4589 606.2188
374.9410 519.0703
375.4231 484.1484
375.9052 524.6797
376.3874 554.5312
376.8695 546.6953
377.3516 504.0156
377.8337 466.0469
378.3158 431.8594
378.7979 412.9844
379.2801 431.6172
379.7622 490.8828
380.2443 516.6719
380.7264 482.5000
381.2085 416.4766
381.6906 395.1797
382.1728 419.1953
382.6549 456.7031
383.1370 483.1172
383.6191 500.3516
384.1012 520.9688
384.5833 548.0391
385.0655 572.7422
385.5476 582.7422
386.0297 576.1484
386.5118 558.4922
386.9939 517.0781
387.4760 477.2266
387.9582 492.3516
388.4403 566.3984
388.9224 622.1797
389.4045 585.8125
389.8866 494.1250
390.3687 398.5547
390.8509 298.9141
391.3330 225.3906
391.8151 221.9375
392.2972 269.7500
392.7793 295.6562
393.2614 236.0156
393.7436 158.2969
394.2257 110.6250
394.7078 109.5703
395.1899 116.7500
395.6720 119.8984
396.1541 121.0078
396.6363 123.8594
397.1184 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
477.6319 123.9375
478.1140 165.2188
478.5961 187.7188
479.0782 156.2266
479.5603 112.3359
480.0424 107.1797
480.5246 136.7891
481.0067 168.6875
481.4888 190.2891
481.9709 200.5625
482.4530 192.3906
482.9352 143.4531
483.4173 121.6719
483.8994 182.8047
484.3815 280.4609
484.8636 343.8906
485.3457 337.9609
485.8279 312.0625
486.3100 266.0078
486.7921 200.9844
487.2742 171.0938
487.7563 216.0391
488.2384 258.9219
488.7206 250.8438
489.2027 157.6016
489.6848 114.0781
490.1669 139.3672
490.6490 197.8750
491.1311 232.5938
491.6133 238.6406
492.0954 252.0234
492.5775 283.9375
493.0596 330.0078
493.5417 385.5156
494.0238 448.9062
494.5060 494.8281
494.9881 488.2656
495.4702 449.0078
495.9523 424.5625
496.4344 418.1875
496.9165 432.1953
497.3987 497.5234
497.8808 582.1641
498.3629 626.6875
498.8450 562.2188
499.3271 485.9922
499.8092 478.4453
500.2914 524.1562
500.7735 533.8984
501.2556 432.2656
501.7377 317.2734
502.2198 253.8203
502.7019 282.0000
503.1841 279.4219
503.6662 186.1797
504.1483 74.77344
504.6304 31.60156
505.1125 106.6719
505.5946 169.3594
506.0768 198.2031
506.5589 198.2656
507.0410 196.7891
507.5231 191.3359
508.0052 187.6250
508.4873 186.9531
508.9695 188.3281
509.4516 195.9297
509.9337 209.2969
510.4158 226.8359
510.8979 251.8281
511.3800 280.6875
511.8622 294.7188
512.3443 283.5234
512.8264 257.6406
513.3085 232.3594
513.7906 214.8047
514.2728 212.8359
514.7549 273.4766
515.2370 325.5156
515.7191 290.2969
516.2012 157.3984
516.6833 42.46094
517.1655 7.992188
517.6476 11.25781
518.1297 16.06250
518.6118 11.80469
519.0939 13.88281
519.5760 31.10938
520.0582 55.95312
520.5403 70.03906
521.0224 54.05469
521.5045 53.11719
521.9866 80.40625
522.4688 135.5156
522.9509 199.3750
523.4330 280.0469
523.9151 348.7734
524.3972 369.6875
524.8793 339.9531
525.3615 352.2188
525.8436 421.3203
526.3257 506.9062
526.8078 561.4219
527.2899 588.9297
527.7720 589.9297
528.2542 553.0781
528.7363 495.6250
529.2184 425.9062
529.7005 350.5078
530.1826 301.4922
530.6647 334.1641
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
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