#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:54:54 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1014 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000470.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_1000470
loop_
_publ_author_name
'Bertolo, S.'
'Nimis, P.'
'Dal Negro, A.'
_publ_section_title
;
 Low-Ca augite from experimental alkali basalt at 18 kbar: Structural
 variation near the miscibility gap Atomic parameters from ICSD
;
_journal_name_full               'American Mineralogist'
_journal_page_first              668
_journal_page_last               674
_journal_volume                  79
_journal_year                    1994
_chemical_compound_source        R110063
_chemical_formula_sum            'Ca0.774 Fe0.11 Mg0.901 Na0.226 O6 Si2'
_chemical_name_mineral           Aegirine-augite
_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                 107.60
_cell_angle_gamma                90
_cell_length_a                   9.689
_cell_length_b                   8.824
_cell_length_c                   5.280
_cell_volume                     430.287
_exptl_crystal_density_diffrn    3.341
_cod_original_formula_sum        '(Ca.774 Na.226) Mg.901 Fe.11 Si2 O6'
_cod_database_code               9001615
_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            R110063.rod
_rod_data_source.block           3500000
_rod_database.code               1000470
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 9001615 COD http://www.crystallography.net/cod/9001615.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
161.3633 0.0000000E+00
161.8455 1.8198000E-02
162.3276 0.1494790
162.8097 0.3758970
163.2918 0.3117740
163.7739 1.9687001E-02
164.2560 0.1424220
164.7382 0.1075180
165.2203 0.6546220
165.7024 1.068674
166.1845 1.017768
166.6666 0.7960810
167.1487 0.6678280
167.6309 0.8050260
168.1130 0.9499650
168.5951 0.8210530
169.0772 0.4883980
169.5593 0.3822440
170.0414 0.9879110
170.5236 1.899303
171.0057 2.620462
171.4878 2.924784
171.9699 3.035093
172.4520 3.020845
172.9341 2.901632
173.4163 2.932684
173.8984 3.427750
174.3805 4.187578
174.8626 4.861914
175.3447 5.341488
175.8268 5.676039
176.3090 5.867985
176.7911 5.913342
177.2732 5.969734
177.7553 6.063110
178.2374 6.160002
178.7195 6.295034
179.2017 6.448122
179.6838 6.662518
180.1659 7.097790
180.6480 7.783684
181.1301 8.347075
181.6122 8.329639
182.0944 7.872013
182.5765 7.432444
183.0586 7.293676
183.5407 7.298412
184.0228 7.041401
184.5049 6.473719
184.9871 5.904327
185.4692 5.808977
185.9513 6.094299
186.4334 6.263180
186.9155 5.940384
187.3976 5.302511
187.8798 4.967426
188.3619 4.993708
188.8440 5.170378
189.3261 5.236212
189.8082 5.197687
190.2903 5.125256
190.7725 5.051352
191.2546 4.971409
191.7367 4.842094
192.2188 4.634415
192.7009 4.442001
193.1830 4.424212
193.6652 4.580492
194.1473 4.830191
194.6294 5.265966
195.1115 5.848106
195.5936 5.995047
196.0757 5.586983
196.5579 4.888329
197.0400 4.348251
197.5221 3.964020
198.0042 3.746550
198.4863 3.747292
198.9684 3.968542
199.4506 4.194292
199.9327 4.436399
200.4148 4.640753
200.8969 4.650656
201.3790 4.432936
201.8611 4.204556
202.3433 4.113119
202.8254 4.175922
203.3075 4.161669
203.7896 4.034191
204.2717 3.837343
204.7538 3.679056
205.2360 3.562704
205.7181 3.469917
206.2002 3.399054
206.6823 3.356831
207.1644 3.285278
207.6465 3.163698
208.1287 3.018234
208.6108 2.910202
209.0929 2.820223
209.5750 2.819057
210.0571 2.991749
210.5392 3.401358
211.0214 3.678900
211.5035 3.739298
211.9856 3.663860
212.4677 3.759996
212.9498 4.100079
213.4319 4.451727
213.9140 4.794041
214.3962 5.120024
214.8783 5.209213
215.3604 4.962452
215.8425 4.574331
216.3246 4.439554
216.8067 4.638466
217.2889 5.007282
217.7710 5.374943
218.2531 5.889481
218.7352 6.363203
219.2173 6.724720
219.6994 7.069628
220.1816 7.337498
220.6637 7.550188
221.1458 7.623556
221.6279 7.455347
222.1100 6.857992
222.5921 6.538918
223.0743 6.620050
223.5564 7.017452
224.0385 7.356159
224.5206 7.598694
225.0027 7.863020
225.4848 8.226112
225.9670 8.778795
226.4491 9.134844
226.9312 9.168379
227.4133 8.956375
227.8954 8.961971
228.3775 9.332235
228.8597 9.707020
229.3418 9.858326
229.8239 9.701851
230.3060 9.521175
230.7881 9.360954
231.2702 9.194256
231.7524 8.868622
232.2345 8.231340
232.7166 7.654152
233.1987 7.400560
233.6808 7.718941
234.1629 7.806629
234.6451 7.564899
235.1272 7.051212
235.6093 6.505079
236.0914 5.894341
236.5735 5.295572
237.0556 4.709681
237.5378 3.952797
238.0199 3.640882
238.5020 4.035378
238.9841 4.906393
239.4662 5.286184
239.9483 4.939507
240.4305 4.426872
240.9126 4.001995
241.3947 3.562761
241.8768 3.462624
242.3589 3.911819
242.8410 4.698599
243.3232 5.047598
243.8053 4.689810
244.2874 4.260128
244.7695 4.100550
245.2516 4.403589
245.7337 4.533752
246.2159 4.395094
246.6980 4.079775
247.1801 3.871450
247.6622 3.737803
248.1443 3.755663
248.6264 3.991436
249.1086 4.589323
249.5907 5.067083
250.0728 5.425941
250.5549 5.658525
251.0370 5.718622
251.5191 5.483637
252.0013 5.271845
252.4834 5.238344
252.9655 5.478855
253.4476 5.647518
253.9297 5.729931
254.4118 5.747259
254.8940 5.772354
255.3761 5.902475
255.8582 5.866920
256.3403 5.502113
256.8224 4.654243
257.3046 3.989138
257.7867 3.542217
258.2688 3.259224
258.7509 3.069506
259.2330 3.056940
259.7151 2.967516
260.1973 2.670952
260.6794 2.101416
261.1615 1.636337
261.6436 1.287172
262.1257 1.036589
262.6078 0.8591000
263.0900 0.7546730
263.5721 0.7326580
264.0542 0.8670730
264.5363 1.235155
265.0184 1.215872
265.5005 0.6607210
265.9827 0.1032410
266.4648 0.6426090
266.9469 0.9512560
267.4290 1.034225
267.9111 0.8085520
268.3932 0.2425750
268.8754 7.8029998E-02
269.3575 0.1121580
269.8396 3.5682999E-02
270.3217 0.2474310
270.8038 0.5252490
271.2859 0.8701400
271.7681 1.359938
272.2502 1.979158
272.7323 2.203100
273.2144 1.904650
273.6965 1.462582
274.1786 1.314760
274.6608 1.529007
275.1429 1.656694
275.6250 1.555138
276.1071 1.264288
276.5892 1.096718
277.0714 1.093122
277.5535 1.105246
278.0356 0.9745520
278.5177 0.6834110
278.9998 0.4336530
279.4819 0.2714650
279.9641 0.1799320
280.4462 7.1005002E-02
280.9283 8.0831997E-02
281.4104 0.1418610
281.8925 7.5319000E-02
282.3746 0.5768660
282.8568 0.9167440
283.3389 1.023733
283.8210 0.9224210
284.3031 0.5986790
284.7852 1.6132001E-02
285.2673 0.5001540
285.7495 0.6568320
286.2316 0.4876500
286.7137 0.4460300
287.1958 0.6284900
287.6779 0.9080490
288.1600 1.013477
288.6422 0.9424740
289.1243 0.8441770
289.6064 0.7850860
290.0885 0.7690660
290.5706 0.8012790
291.0527 0.8578170
291.5349 1.020983
292.0170 1.483610
292.4991 2.218092
292.9812 2.976395
293.4633 3.602385
293.9454 4.138868
294.4276 4.742542
294.9097 5.439234
295.3918 6.096022
295.8739 6.491106
296.3560 6.670834
296.8381 6.876493
297.3203 7.093769
297.8024 7.433084
298.2845 8.246849
298.7666 9.590282
299.2487 10.95127
299.7308 11.71447
300.2130 12.07684
300.6951 12.59047
301.1772 13.52913
301.6593 14.71548
302.1414 15.95557
302.6235 17.23682
303.1057 18.51350
303.5878 19.60605
304.0699 20.67154
304.5520 21.97899
305.0341 23.66192
305.5162 25.57554
305.9984 27.62579
306.4805 29.79080
306.9626 32.06191
307.4447 34.46051
307.9268 36.93630
308.4089 39.37000
308.8911 41.65197
309.3732 44.01134
309.8553 46.80548
310.3374 49.86686
310.8195 52.69021
311.3016 54.77857
311.7838 56.56659
312.2659 58.50542
312.7480 60.80295
313.2301 62.93606
313.7122 64.59290
314.1943 65.88413
314.6765 67.00304
315.1586 67.54436
315.6407 68.28295
316.1228 69.70217
316.6049 71.88754
317.0870 74.63892
317.5692 78.16718
318.0513 82.12060
318.5334 85.98822
319.0155 89.28761
319.4976 92.74139
319.9797 96.67435
320.4619 101.1386
320.9440 105.7247
321.4261 110.7343
321.9082 115.5858
322.3903 119.7058
322.8724 123.4495
323.3546 125.9669
323.8367 127.0639
324.3188 126.7324
324.8009 124.9668
325.2830 121.1453
325.7651 116.3308
326.2473 111.2259
326.7294 106.3617
327.2115 100.6316
327.6936 93.23858
328.1757 84.67416
328.6578 77.06719
329.1400 70.78811
329.6221 65.15510
330.1042 59.83553
330.5863 54.84377
331.0684 50.21146
331.5505 45.88519
332.0327 41.93938
332.5148 38.64013
332.9969 36.34105
333.4790 34.22601
333.9611 31.90950
334.4432 29.15446
334.9254 27.12729
335.4075 26.11099
335.8896 25.60779
336.3717 24.88575
336.8538 23.69207
337.3359 22.89727
337.8180 22.81767
338.3001 23.44081
338.7823 24.06350
339.2644 24.71978
339.7465 25.27399
340.2286 25.52028
340.7107 25.40101
341.1928 25.35262
341.6750 25.39556
342.1571 25.61405
342.6392 26.36448
343.1213 27.69661
343.6034 29.16840
344.0855 30.45507
344.5677 31.55875
345.0498 32.80212
345.5319 34.19822
346.0140 35.77694
346.4961 37.66477
346.9782 39.84267
347.4604 42.05970
347.9425 44.07269
348.4246 45.99053
348.9067 48.15308
349.3888 50.59751
349.8709 53.19430
350.3531 55.64815
350.8352 58.08057
351.3173 60.92942
351.7994 64.59885
352.2815 68.75658
352.7636 72.84880
353.2458 76.87423
353.7279 81.08060
354.2100 85.93385
354.6921 91.07138
355.1742 95.85190
355.6563 100.1152
356.1385 103.9680
356.6206 107.5648
357.1027 110.8861
357.5848 113.7479
358.0669 116.2709
358.5490 118.2072
359.0312 119.3630
359.5133 119.8102
359.9954 119.2555
360.4775 117.2695
360.9596 114.1541
361.4417 110.5933
361.9239 106.8257
362.4060 102.6942
362.8881 97.95025
363.3702 92.40833
363.8523 87.13367
364.3344 82.53360
364.8166 78.36065
365.2987 74.29889
365.7808 69.96027
366.2629 66.15044
366.7450 63.18824
367.2271 61.07418
367.7093 59.20353
368.1914 57.16706
368.6735 55.55008
369.1556 54.74676
369.6377 55.61293
370.1198 56.29543
370.6020 56.34873
371.0841 56.04957
371.5662 56.61494
372.0483 58.45367
372.5304 60.68295
373.0125 62.95665
373.4947 65.20248
373.9768 67.54994
374.4589 69.80820
374.9410 72.33361
375.4231 75.83659
375.9052 80.80910
376.3874 85.50029
376.8695 89.13560
377.3516 91.78589
377.8337 95.17839
378.3158 99.45759
378.7979 104.2780
379.2801 109.1579
379.7622 114.0994
380.2443 119.6213
380.7264 126.0199
381.2085 132.9566
381.6906 139.4181
382.1728 145.3878
382.6549 151.9608
383.1370 159.6838
383.6191 168.5484
384.1012 178.3006
384.5833 189.0459
385.0655 200.6160
385.5476 212.9940
386.0297 226.0735
386.5118 238.8948
386.9939 251.4901
387.4760 263.5360
387.9582 275.0058
388.4403 286.0102
388.9224 295.1193
389.4045 301.9163
389.8866 305.8367
390.3687 306.0974
390.8509 302.5045
391.3330 295.1306
391.8151 283.1898
392.2972 267.2038
392.7793 249.1814
393.2614 228.4115
393.7436 207.1811
394.2257 186.4339
394.7078 166.0014
395.1899 147.2611
395.6720 130.8520
396.1541 116.4192
396.6363 103.3937
397.1184 91.73054
397.6005 81.36333
398.0826 72.36372
398.5647 64.78633
399.0468 58.10966
399.5290 52.69042
400.0111 47.93594
400.4932 43.35145
400.9753 38.61375
401.4574 34.47405
401.9395 31.19751
402.4217 28.62170
402.9038 26.03659
403.3859 23.26709
403.8680 20.74516
404.3501 18.70091
404.8322 17.26554
405.3144 15.91325
405.7965 14.65163
406.2786 13.48268
406.7607 12.44378
407.2428 11.55894
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408.2071 9.623077
408.6892 8.512959
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409.6534 7.626492
410.1355 7.462200
410.6176 6.828960
411.0998 5.821125
411.5819 5.009827
412.0640 4.522480
412.5461 4.250446
413.0282 4.032070
413.5103 3.870209
413.9925 3.774147
414.4746 3.899399
414.9567 4.043022
415.4388 3.816269
415.9209 3.149231
416.4030 2.481304
416.8852 2.117500
417.3673 1.997509
417.8494 2.021118
418.3315 2.380798
418.8136 2.684807
419.2957 2.678951
419.7779 2.383533
420.2600 1.948639
420.7421 1.220947
421.2242 0.5171660
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422.1884 0.1320000
422.6706 0.2079810
423.1527 0.2995430
423.6348 0.3660600
424.1169 0.3247070
424.5990 1.1020000E-03
425.0811 0.2762240
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426.0454 0.1761170
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427.0096 0.6431430
427.4917 1.084339
427.9738 1.090834
428.4560 0.3142570
428.9381 0.1507610
429.4202 6.7887999E-02
429.9023 0.3892560
430.3844 0.6371420
430.8665 0.6374740
431.3487 0.5344910
431.8308 0.3287110
432.3129 2.3230000E-03
432.7950 3.6951002E-02
433.2771 0.2872940
433.7592 0.7052290
434.2414 0.8220560
434.7235 0.6686690
435.2056 0.6346780
435.6877 0.9322870
436.1698 1.363684
436.6519 1.509878
437.1341 1.377508
437.6162 1.118376
438.0983 0.6589030
438.5804 0.1895220
439.0625 9.8581001E-02
439.5446 0.5407560
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440.5089 1.259796
440.9910 1.234715
441.4731 1.152603
441.9552 1.143942
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442.9195 0.7071440
443.4016 8.8303000E-02
443.8837 0.3228300
444.3658 0.2092400
444.8479 0.1232070
445.3300 0.4411130
445.8122 0.8505480
446.2943 1.048277
446.7764 0.8451180
447.2585 0.3905200
447.7406 6.7025997E-02
448.2227 4.8737999E-02
448.7049 1.4713000E-02
449.1870 0.1710340
449.6691 0.5705530
450.1512 0.7203880
450.6333 0.4500050
451.1154 0.1149160
451.5976 6.4044997E-02
452.0797 0.3738560
452.5618 0.7242580
453.0439 1.100002
453.5260 1.467262
454.0081 1.754280
454.4903 1.966660
454.9724 2.066219
455.4545 1.941706
455.9366 1.646278
456.4187 1.570272
456.9008 1.744160
457.3830 2.038427
457.8651 2.331749
458.3472 2.624180
458.8293 2.910471
459.3114 3.241108
459.7935 3.513348
460.2757 3.516403
460.7578 3.309618
461.2399 3.194794
461.7220 3.516697
462.2041 3.932102
462.6862 4.081781
463.1684 3.858425
463.6505 3.625027
464.1326 3.663219
464.6147 3.774569
465.0968 3.700932
465.5789 3.049559
466.0611 2.527431
466.5432 2.436281
467.0253 2.734543
467.5074 2.895430
467.9895 2.795057
468.4716 2.594805
468.9538 2.350090
469.4359 1.961063
469.9180 1.760300
470.4001 1.833555
470.8822 2.033522
471.3643 2.160103
471.8465 2.235231
472.3286 2.157114
472.8107 1.821310
473.2928 1.305399
473.7749 1.082954
474.2570 1.205288
474.7392 1.358042
475.2213 1.259535
475.7034 0.9589810
476.1855 0.8061240
476.6676 0.8562740
477.1497 0.9954740
477.6319 1.104950
478.1140 1.182158
478.5961 1.214766
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