#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:40:24 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1214 $
#$URL: svn://172.16.1.111/rod/cif/1/00/06/1000628.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_1000628
loop_
_publ_author_name
'Drits, V. A.'
'McCarty, D. K.'
'Sakharov, B.'
'Milliken, K. L.'
_publ_section_title
;
 New insight into structural and compositional variability in some ancient
 excess-Ca dolomite Sample: "Ankerite"
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1255
_journal_page_last               1290
_journal_paper_doi               10.2113/gscanmin.43.4.1255
_journal_volume                  43
_journal_year                    2005
_chemical_compound_source        R050197
_chemical_formula_sum            'C2 Ca Fe0.33 Mg0.67 O6'
_chemical_name_mineral           Dolomite
_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                   4.8170
_cell_length_b                   4.8170
_cell_length_c                   16.0794
_cell_volume                     323.113
_exptl_crystal_density_diffrn    3.004
_cod_original_cell_volume        323.112
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Ca (Mg.67 Fe.33) C2 O6'
_cod_database_code               9004934
_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            R050197.rod
_rod_data_source.block           3500000
_rod_database.code               1000628
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 9004934 COD http://www.crystallography.net/cod/9004934.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
145.5165 0.0000000E+00
145.9986 1.1841000E-02
146.4807 0.1239470
146.9629 0.3947140
147.4450 1.316086
147.9271 2.740997
148.4092 4.308731
148.8913 5.598160
149.3734 6.393616
149.8556 6.894333
150.3377 7.953781
150.8198 10.29228
151.3019 12.43283
151.7840 13.97795
152.2661 15.24214
152.7483 16.74788
153.2304 18.84351
153.7125 21.47575
154.1946 23.82166
154.6767 25.60562
155.1588 27.43735
155.6410 29.54790
156.1231 31.91505
156.6052 34.38997
157.0873 36.87775
157.5694 39.39168
158.0515 41.99174
158.5337 44.71033
159.0158 47.48566
159.4979 50.25661
159.9800 53.01863
160.4621 55.75632
160.9442 58.39136
161.4264 60.97737
161.9085 63.68005
162.3906 66.71217
162.8727 69.83467
163.3548 72.71172
163.8369 75.36021
164.3191 77.66438
164.8012 79.76570
165.2833 81.56100
165.7654 82.65290
166.2475 82.70203
166.7296 81.78609
167.2118 80.48922
167.6939 78.69509
168.1760 76.86016
168.6581 75.22314
169.1402 73.70312
169.6223 71.81802
170.1045 69.11661
170.5866 65.64008
171.0687 62.07773
171.5508 58.38969
172.0329 54.68954
172.5150 50.63071
172.9972 46.40837
173.4793 42.53149
173.9614 39.58242
174.4435 37.85983
174.9256 35.67850
175.4077 32.80730
175.8899 30.01424
176.3720 27.35553
176.8541 25.13637
177.3362 23.19141
177.8183 21.12124
178.3004 18.88332
178.7826 16.99514
179.2647 15.59789
179.7468 14.40469
180.2289 13.22840
180.7110 11.97552
181.1931 10.70748
181.6752 9.520409
182.1574 8.327667
182.6395 7.414978
183.1216 7.063339
183.6037 6.930260
184.0858 6.575066
184.5679 5.862717
185.0501 4.968094
185.5322 4.106186
186.0143 3.239296
186.4964 2.557541
186.9785 2.211662
187.4606 2.108231
187.9428 2.029007
188.4249 1.960548
188.9070 1.820633
189.3891 1.478271
189.8712 0.9182890
190.3533 0.3928830
190.8355 8.9546002E-02
191.3176 1.9035000E-02
191.7997 0.1505130
192.2818 0.4245760
192.7639 0.6778030
193.2460 0.7554780
193.7282 0.6473770
194.2103 0.5053480
194.6924 0.4600830
195.1745 0.5176700
195.6566 0.6154560
196.1387 0.7655410
196.6209 0.9392470
197.1030 1.148041
197.5851 1.388687
198.0672 1.599197
198.5493 1.682503
199.0314 1.584442
199.5136 1.529274
199.9957 1.549255
200.4778 1.609589
200.9599 1.708076
201.4420 1.838005
201.9241 1.966888
202.4063 2.053169
202.8884 2.128426
203.3705 1.982239
203.8526 1.552139
204.3347 1.105179
204.8168 0.9090120
205.2990 1.025879
205.7811 1.249458
206.2632 1.177910
206.7453 0.3741530
207.2274 9.2651002E-02
207.7095 3.4003999E-02
208.1917 0.3475800
208.6738 0.4683840
209.1559 0.2684710
209.6380 0.1075210
210.1201 0.3706890
210.6022 0.4276280
211.0844 0.5002820
211.5665 0.5186080
212.0486 0.5841600
212.5307 0.9087830
213.0128 1.587166
213.4949 2.329330
213.9771 2.449341
214.4592 1.493874
214.9413 0.9646910
215.4234 1.515854
215.9055 2.577469
216.3876 3.209076
216.8698 3.018280
217.3519 2.476379
217.8340 2.562393
218.3161 3.429718
218.7982 4.108109
219.2803 4.120224
219.7625 3.715363
220.2446 3.447800
220.7267 3.488358
221.2088 3.736008
221.6909 4.071045
222.1730 4.510857
222.6552 4.897827
223.1373 5.132011
223.6194 5.244789
224.1015 5.338417
224.5836 5.399696
225.0657 5.505592
225.5479 5.703674
226.0300 5.989258
226.5121 6.404213
226.9942 7.129425
227.4763 8.085602
227.9584 8.716515
228.4406 8.711517
228.9227 8.529839
229.4048 8.471779
229.8869 8.553886
230.3690 8.847748
230.8511 9.543411
231.3333 10.62566
231.8154 11.47869
232.2975 11.84963
232.7796 12.11876
233.2617 12.51102
233.7438 13.02362
234.2260 13.54227
234.7081 13.92802
235.1902 14.16343
235.6723 14.52635
236.1544 15.13129
236.6365 15.79948
237.1187 16.48123
237.6008 17.16073
238.0829 17.81230
238.5650 18.36848
239.0471 18.79195
239.5292 19.39700
240.0114 20.46138
240.4935 21.47919
240.9756 22.18752
241.4577 22.64929
241.9398 23.12546
242.4219 23.86494
242.9041 24.89303
243.3862 25.97658
243.8683 27.19496
244.3504 28.39243
244.8325 29.47699
245.3146 30.48092
245.7968 31.49685
246.2789 32.57722
246.7610 33.70318
247.2431 35.11807
247.7252 37.06483
248.2073 39.02922
248.6895 40.82651
249.1716 42.49118
249.6537 44.09731
250.1358 45.67824
250.6179 47.22124
251.1000 49.04396
251.5822 51.31958
252.0643 53.69000
252.5464 56.04146
253.0285 58.37199
253.5106 60.71410
253.9927 63.11377
254.4748 65.55824
254.9570 67.91048
255.4391 69.89218
255.9212 72.07835
256.4033 74.71185
256.8854 77.73292
257.3676 80.99438
257.8497 84.43637
258.3318 88.02195
258.8139 91.38842
259.2960 94.28577
259.7781 97.27882
260.2603 100.5007
260.7424 103.9737
261.2245 107.7872
261.7066 112.0199
262.1887 116.6038
262.6708 121.1227
263.1530 125.4804
263.6351 129.8770
264.1172 134.5424
264.5993 139.3666
265.0814 144.0161
265.5635 148.2679
266.0457 152.2454
266.5278 156.3577
267.0099 160.6366
267.4920 165.0386
267.9741 169.5037
268.4562 174.0583
268.9384 178.7822
269.4204 183.7179
269.9026 188.7727
270.3847 193.7665
270.8668 198.6917
271.3489 203.5740
271.8310 208.5266
272.3131 213.3819
272.7953 217.8315
273.2774 221.7327
273.7595 225.3419
274.2416 229.0834
274.7237 232.9680
275.2058 236.8004
275.6880 240.8409
276.1701 244.7559
276.6522 247.8730
277.1343 249.9938
277.6164 251.5356
278.0985 252.9965
278.5807 254.3912
279.0628 255.4403
279.5449 256.0616
280.0270 256.2899
280.5091 256.2170
280.9912 255.8853
281.4734 255.1143
281.9555 253.5108
282.4376 251.2424
282.9197 248.9107
283.4018 246.9357
283.8839 244.8632
284.3661 241.9587
284.8482 238.0808
285.3303 234.0309
285.8124 230.6740
286.2945 227.6303
286.7766 223.9172
287.2588 219.0126
287.7409 213.5335
288.2230 208.1823
288.7051 202.9982
289.1872 197.7453
289.6693 192.2465
290.1515 186.6037
290.6336 181.1368
291.1157 176.0096
291.5978 170.8850
292.0799 165.4435
292.5620 159.6745
293.0442 153.7238
293.5263 147.4689
294.0084 141.1991
294.4905 135.3227
294.9726 129.9087
295.4547 124.7285
295.9369 119.6795
296.4190 114.7523
296.9011 109.7993
297.3832 104.6935
297.8653 99.67185
298.3474 94.95337
298.8296 90.56670
299.3117 86.37071
299.7938 82.28489
300.2759 78.31805
300.7580 74.57079
301.2401 71.12132
301.7223 67.82566
302.2044 64.50645
302.6865 61.16862
303.1686 58.00111
303.6507 55.09975
304.1328 52.44028
304.6150 49.98187
305.0971 47.78759
305.5792 45.68739
306.0613 43.51820
306.5434 41.31671
307.0255 39.23532
307.5077 37.39964
307.9898 35.73635
308.4719 34.07621
308.9540 32.40168
309.4361 30.82095
309.9182 29.36527
310.4004 28.05022
310.8825 26.93027
311.3646 26.10294
311.8467 25.38460
312.3288 24.56565
312.8109 23.64465
313.2931 22.66505
313.7752 21.56758
314.2573 20.46410
314.7394 19.49255
315.2215 18.67917
315.7036 17.98726
316.1858 17.35851
316.6679 16.76932
317.1500 16.32426
317.6321 16.27193
318.1142 16.25438
318.5963 15.89005
319.0785 15.14078
319.5606 14.31670
320.0427 13.60162
320.5248 12.98586
321.0069 12.43849
321.4890 11.91074
321.9712 11.52007
322.4533 11.41360
322.9354 11.55570
323.4175 11.69410
323.8996 11.71889
324.3817 11.59145
324.8639 11.25267
325.3460 10.63662
325.8281 10.01968
326.3102 9.641647
326.7923 9.417580
327.2744 9.180534
327.7566 8.842781
328.2387 8.443413
328.7208 8.029785
329.2029 7.574036
329.6850 7.285965
330.1671 7.502571
330.6493 7.892838
331.1314 7.934914
331.6135 7.310944
332.0956 6.626968
332.5777 6.647354
333.0598 7.343529
333.5420 7.734085
334.0241 7.274605
334.5062 6.451233
334.9883 5.936005
335.4704 5.783676
335.9525 5.711128
336.4347 5.622513
336.9168 5.451469
337.3989 5.169975
337.8810 4.726402
338.3631 4.276932
338.8452 3.898697
339.3274 3.608475
339.8094 3.396515
340.2916 3.264633
340.7737 3.220871
341.2558 3.189926
341.7379 3.203125
342.2200 3.178185
342.7021 3.038773
343.1843 2.807770
343.6664 2.541252
344.1485 2.234756
344.6306 1.911362
345.1127 1.548561
345.5948 1.158478
346.0770 0.8810810
346.5591 0.8859100
347.0412 1.033836
347.5233 0.9228360
348.0054 0.3227390
348.4875 0.1644590
348.9697 6.7939997E-02
349.4518 0.4460830
349.9339 0.7798840
350.4160 0.6643600
350.8981 0.3412020
351.3802 0.2030870
351.8624 0.2598270
352.3445 0.3610530
352.8266 0.5077900
353.3087 0.6549000
353.7908 0.7378850
354.2729 0.7449260
354.7551 0.6753850
355.2372 0.4793930
355.7193 0.1580510
356.2014 0.1002580
356.6835 0.2369460
357.1656 0.3314060
357.6478 0.4670490
358.1299 0.6385650
358.6120 0.7628170
359.0941 0.7784650
359.5762 0.6924510
360.0583 0.5883560
360.5405 0.3914410
361.0226 0.2553940
361.5047 0.2646640
361.9868 0.3811490
362.4689 0.5487670
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363.4332 0.9497150
363.9153 0.9398350
364.3974 0.5897600
364.8795 0.3300860
365.3616 0.2185670
365.8438 0.2220840
366.3259 0.3526380
366.8080 0.6030960
367.2901 0.8529050
367.7722 0.9609300
368.2543 0.9013060
368.7365 0.7654720
369.2186 0.4672620
369.7007 0.1761930
370.1828 4.9828000E-02
370.6649 0.1892170
371.1470 0.1956180
371.6292 1.7593000E-02
372.1113 0.3244780
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373.0755 0.7905270
373.5576 0.8329850
374.0397 0.4751360
374.5219 3.4522999E-02
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375.4861 0.2951660
375.9682 3.2242000E-02
376.4503 0.1556240
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382.2357 0.1765980
382.7178 0.5848160
383.2000 0.8825230
383.6821 0.9410170
384.1642 0.6436610
384.6463 0.1162870
385.1284 0.1378480
385.6105 1.6502000E-02
386.0927 0.2445530
386.5748 0.6333850
387.0569 0.9710770
387.5390 0.9902650
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391.3959 0.8075330
391.8781 0.6853790
392.3602 0.5817870
392.8423 0.5413740
393.3244 0.5604550
393.8065 2.8687000E-02
394.2886 0.6809770
394.7708 1.065201
395.2529 1.195732
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396.2171 0.7401890
396.6992 0.6420440
397.1813 0.5216290
397.6635 1.126106
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399.1098 1.042908
399.5919 1.347267
400.0740 1.126343
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402.9667 0.9908290
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407.7879 2.045593
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410.1985 2.052704
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413.5733 2.002365
414.0554 1.797050
414.5375 1.599075
415.0196 1.468651
415.5017 1.414688
415.9839 1.455589
416.4660 1.618584
416.9481 1.869202
417.4302 2.027138
417.9123 2.030746
418.3944 1.999283
418.8766 1.923592
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420.3229 1.836388
420.8050 1.877388
421.2871 1.908401
421.7693 1.965179
422.2514 1.949158
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423.2156 1.538651
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425.6262 1.273491
426.1083 1.216339
426.5904 1.660896
427.0725 1.938347
427.5547 1.766647
428.0368 1.448380
428.5189 1.227623
429.0010 1.163406
429.4831 1.187325
429.9652 1.229164
430.4474 1.291458
430.9295 1.368210
431.4116 1.555092
431.8937 1.676331
432.3758 1.558319
432.8579 1.265854
433.3401 1.036697
433.8222 0.9722520
434.3043 1.019279
434.7864 1.145927
435.2685 1.368988
435.7506 1.509590
436.2328 1.445259
436.7149 1.274956
437.1970 1.171799
437.6791 1.135384
438.1612 1.100990
438.6433 1.037788
439.1255 0.9671860
439.6076 0.9353410
440.0897 0.9480970
440.5718 0.9706880
441.0539 0.9838940
441.5360 0.9847490
442.0182 0.9303740
442.5003 0.7297900
442.9824 0.5225220
443.4645 0.3967210
443.9466 0.3647770
444.4287 0.4750980
444.9109 0.7666020
445.3930 1.129890
445.8751 1.267464
446.3572 0.9503020
446.8393 0.7245560
447.3214 0.6910320
447.8036 0.7358250
448.2857 0.7841110
448.7678 0.8142320
449.2499 0.8084340
449.7320 0.7384640
450.2141 0.5978780
450.6963 0.5126340
451.1784 0.5028230
451.6605 0.5064620
452.1426 0.6322710
452.6247 0.7819140
453.1068 0.8181840
453.5890 0.6599430
454.0711 0.4815290
454.5532 0.5525820
455.0353 0.9952700
455.5174 1.273544
455.9995 1.155289
456.4817 0.9572530
456.9638 0.7498780
457.4459 0.5567320
457.9280 0.4039690
458.4101 0.2896120
458.8922 0.2369380
459.3744 0.3438570
459.8565 0.6801530
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