#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:15:23 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1033 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000488.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_1000488
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 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            R050197.rod
_rod_data_source.block           3500000
_rod_database.code               1000488
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
146.8082 0.0000000E+00
147.2903 2.5749000E-02
147.7724 0.1717680
148.2546 0.2364880
148.7367 0.5938260
149.2188 1.620613
149.7009 3.365883
150.1830 5.737953
150.6651 8.205475
151.1473 10.57523
151.6294 13.07927
152.1115 15.84931
152.5936 19.12581
153.0757 22.37697
153.5578 25.46069
154.0400 28.32616
154.5221 31.40451
155.0042 34.79808
155.4863 38.37009
155.9684 41.99728
156.4505 45.81301
156.9327 49.55432
157.4148 53.05485
157.8969 56.22278
158.3790 59.73975
158.8611 63.89405
159.3432 68.45121
159.8254 73.17042
160.3075 77.56219
160.7896 82.44292
161.2717 88.34032
161.7538 95.50037
162.2359 102.4386
162.7181 108.4711
163.2002 114.0012
163.6823 119.5928
164.1644 125.8264
164.6465 131.9100
165.1286 137.5292
165.6108 142.7621
166.0929 147.1399
166.5750 150.5463
167.0571 153.0114
167.5392 154.5100
168.0213 155.1673
168.5035 154.8811
168.9856 153.5440
169.4677 151.0467
169.9498 147.6725
170.4319 143.2586
170.9140 137.7587
171.3962 131.5680
171.8783 124.9837
172.3604 118.1355
172.8425 110.9763
173.3246 103.6226
173.8067 96.27354
174.2889 88.83476
174.7710 81.45085
175.2531 74.69860
175.7352 69.12356
176.2173 64.13602
176.6994 59.14406
177.1816 54.10909
177.6637 49.22368
178.1458 44.79668
178.6279 40.84429
179.1100 37.33190
179.5921 34.12490
180.0743 31.19228
180.5564 28.55858
181.0385 26.27896
181.5206 24.13858
182.0027 21.79853
182.4848 19.33493
182.9670 17.20522
183.4491 15.98299
183.9312 15.38145
184.4133 14.59440
184.8954 13.37438
185.3775 11.93120
185.8597 10.53501
186.3418 9.201424
186.8239 8.051170
187.3060 7.358940
187.7881 6.996696
188.2702 6.419975
188.7523 5.401535
189.2345 4.152664
189.7166 3.135048
190.1987 2.341652
190.6808 1.735237
191.1629 1.389084
191.6451 1.261215
192.1272 0.9819870
192.6093 0.3805470
193.0914 0.4009020
193.5735 0.9363940
194.0556 1.220398
194.5378 1.335159
195.0199 1.267029
195.5020 1.028297
195.9841 0.9467320
196.4662 1.187805
196.9483 1.643028
197.4305 1.802063
197.9126 1.616272
198.3947 1.364494
198.8768 1.365181
199.3589 1.634872
199.8410 1.843437
200.3232 1.898109
200.8053 1.823669
201.2874 1.744324
201.7695 1.645729
202.2516 1.586922
202.7337 1.661980
203.2159 1.892761
203.6980 2.059868
204.1801 2.086395
204.6622 1.849655
205.1443 1.633270
205.6264 1.397659
206.1086 1.247559
206.5907 1.380951
207.0728 1.891136
207.5549 2.179268
208.0370 2.042892
208.5191 1.511826
209.0013 1.074989
209.4834 0.7352750
209.9655 0.4843520
210.4476 0.3460080
210.9297 0.3679120
211.4118 0.3179090
211.8940 0.1151120
212.3761 0.2352830
212.8582 0.5011220
213.3403 0.6630780
213.8224 0.7725980
214.3045 0.8435520
214.7867 0.7971730
215.2688 0.9674680
215.7509 1.538879
216.2330 2.502914
216.7151 3.062454
217.1972 3.037254
217.6794 2.852379
218.1615 2.987419
218.6436 3.585930
219.1257 4.126900
219.6078 4.485558
220.0899 4.663353
220.5721 4.793266
221.0542 4.837234
221.5363 4.879211
222.0184 5.008057
222.5005 5.244331
222.9826 5.526985
223.4648 5.882339
223.9469 6.317360
224.4290 6.546021
224.9111 6.422417
225.3932 6.263977
225.8753 6.403580
226.3575 6.972244
226.8396 7.559647
227.3217 8.082596
227.8038 8.545403
228.2859 8.994827
228.7680 9.420143
229.2502 9.845612
229.7323 10.27791
230.2144 10.68422
230.6965 11.17722
231.1786 11.80624
231.6607 12.57138
232.1429 13.27099
232.6250 13.85387
233.1071 14.42901
233.5892 15.09766
234.0713 15.92309
234.5534 16.71302
235.0356 17.41875
235.5177 18.03840
235.9998 18.69366
236.4819 19.43590
236.9640 20.16592
237.4461 20.78056
237.9283 21.15082
238.4104 21.65675
238.8925 22.34718
239.3746 23.22404
239.8567 24.27168
240.3388 25.66326
240.8210 27.03149
241.3031 28.05327
241.7852 28.46577
242.2673 29.05983
242.7494 29.95149
243.2315 31.12786
243.7137 32.38103
244.1958 33.73176
244.6779 35.13992
245.1600 36.58743
245.6421 38.09715
246.1242 39.59837
246.6064 41.04803
247.0885 42.46530
247.5706 44.02153
248.0527 45.73241
248.5348 47.54127
249.0169 49.40860
249.4990 51.40858
249.9812 53.32473
250.4633 55.00226
250.9454 56.53258
251.4275 58.48938
251.9096 61.01283
252.3917 63.78378
252.8739 66.60707
253.3560 69.53453
253.8381 72.43931
254.3202 75.18221
254.8023 77.88634
255.2844 81.05804
255.7666 84.94398
256.2487 88.93475
256.7308 92.54387
257.2129 95.36810
257.6950 98.93818
258.1772 103.5687
258.6593 108.8922
259.1414 114.0083
259.6235 118.7711
260.1056 123.6291
260.5877 128.8959
261.0699 134.6020
261.5520 140.4279
262.0341 146.4733
262.5162 152.5927
262.9983 158.5323
263.4804 164.0297
263.9626 169.8465
264.4447 176.2658
264.9268 183.4071
265.4089 190.7720
265.8910 198.4929
266.3731 206.4516
266.8553 214.5969
267.3374 222.8765
267.8195 231.3104
268.3016 239.6860
268.7837 248.0740
269.2658 256.7221
269.7480 265.5842
270.2301 274.7911
270.7122 284.5149
271.1943 294.9488
271.6764 305.0749
272.1585 314.1647
272.6407 322.2109
273.1228 331.2414
273.6049 341.5643
274.0870 352.1374
274.5691 361.8043
275.0512 370.3389
275.5334 378.8162
276.0155 387.7233
276.4976 396.9271
276.9797 404.8630
277.4618 411.3023
277.9439 417.0974
278.4261 423.2964
278.9081 430.0203
279.3903 435.7780
279.8724 440.1984
280.3545 443.3502
280.8366 445.5927
281.3187 446.8529
281.8008 447.5676
282.2830 448.2393
282.7651 448.8859
283.2472 448.6442
283.7293 447.3505
284.2114 445.0741
284.6935 441.9966
285.1757 438.0875
285.6578 433.5481
286.1399 428.5393
286.6220 423.0450
287.1041 416.8215
287.5862 409.7031
288.0684 401.9941
288.5505 394.6016
289.0326 387.4970
289.5147 379.8539
289.9968 370.8896
290.4789 360.7887
290.9611 351.0208
291.4432 341.7899
291.9253 332.4951
292.4074 322.2176
292.8895 310.9541
293.3716 299.6481
293.8538 288.6499
294.3359 277.9080
294.8180 267.2097
295.3001 256.6349
295.7822 246.1807
296.2643 235.8861
296.7465 225.7726
297.2286 215.7707
297.7107 205.5324
298.1928 195.3379
298.6749 185.9629
299.1570 177.3785
299.6392 169.2803
300.1213 161.7288
300.6034 154.5277
301.0855 147.4818
301.5676 140.4176
302.0497 133.4427
302.5319 126.7556
303.0140 120.3066
303.4961 114.2353
303.9782 108.6689
304.4603 103.5296
304.9424 98.42966
305.4246 93.16733
305.9067 88.08013
306.3888 83.64439
306.8709 79.81036
307.3530 76.21867
307.8351 72.74557
308.3173 69.36977
308.7994 66.05458
309.2815 62.73332
309.7636 59.54871
310.2457 56.62886
310.7278 53.91832
311.2100 51.34928
311.6921 48.85327
312.1742 46.46959
312.6563 44.29278
313.1384 42.35237
313.6205 40.59184
314.1027 39.07085
314.5848 37.67539
315.0669 36.19403
315.5490 34.28440
316.0311 32.44143
316.5132 31.03883
316.9954 30.13518
317.4775 29.34331
317.9596 28.53722
318.4417 27.73138
318.9238 26.92880
319.4059 26.24663
319.8881 25.48108
320.3702 24.46896
320.8523 23.21895
321.3344 22.15014
321.8165 21.52164
322.2986 21.04841
322.7808 20.51316
323.2629 19.81966
323.7450 19.10198
324.2271 18.36335
324.7092 17.62540
325.1913 16.94946
325.6735 16.40860
326.1556 15.89921
326.6377 15.36834
327.1198 14.72904
327.6019 14.13571
328.0840 13.61069
328.5662 13.16178
329.0483 12.77190
329.5304 12.51706
330.0125 12.23561
330.4946 11.84978
330.9767 11.26629
331.4589 10.88005
331.9410 10.83331
332.4231 10.89980
332.9052 10.77303
333.3873 10.33652
333.8694 9.895653
334.3516 9.522369
334.8337 9.209633
335.3158 8.895401
335.7979 8.589554
336.2800 8.293251
336.7621 8.009712
337.2443 7.725647
337.7264 7.440948
338.2085 7.158768
338.6906 6.884148
339.1727 6.611053
339.6548 6.349434
340.1370 6.112434
340.6191 5.830528
341.1012 5.432175
341.5833 5.234833
342.0654 5.420052
342.5475 5.732956
343.0297 5.422348
343.5118 4.389748
343.9939 3.443054
344.4760 3.102135
344.9581 3.328186
345.4402 3.494072
345.9224 3.602699
346.4045 3.582718
346.8866 3.226833
347.3687 2.552593
347.8508 1.972717
348.3329 1.702362
348.8151 1.653381
349.2972 1.581795
349.7793 1.489582
350.2614 1.371849
350.7435 1.210495
351.2256 1.022747
351.7078 0.8531490
352.1899 0.7271160
352.6720 0.6199000
353.1541 0.4943810
353.6362 0.3400760
354.1183 0.1550980
354.6005 0.1099280
355.0826 0.3770030
355.5647 0.5279880
356.0468 0.5076790
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357.0110 0.6015280
357.4932 0.8214190
357.9753 0.9153900
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361.8322 0.5407300
362.3143 0.7717510
362.7964 0.9921800
363.2786 1.001095
363.7607 0.8176120
364.2428 0.7221150
364.7249 0.9693910
365.2070 1.240910
365.6891 1.313080
366.1713 0.9338490
366.6534 0.6163370
367.1355 0.4634550
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368.0997 0.4568020
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369.0640 0.6529390
369.5461 0.6050950
370.0282 0.2752690
370.5103 0.2144930
370.9924 0.6545070
371.4745 1.257298
371.9567 1.578457
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372.9209 1.294304
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376.7778 8.3453998E-02
377.2599 0.2468150
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379.1884 0.1391940
379.6705 7.3711000E-02
380.1526 4.4300001E-02
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384.0096 7.3177002E-02
384.4917 5.0026000E-02
384.9738 0.2574420
385.4559 0.5465430
385.9380 0.4773290
386.4202 0.1804850
386.9023 7.8769997E-03
387.3844 3.3810001E-02
387.8665 0.1492310
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388.8307 9.4379997E-03
389.3129 8.8950999E-02
389.7950 2.9556001E-02
390.2771 0.2218320
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417.7577 2.064358
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418.7220 1.398369
419.2041 1.032352
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430.7749 1.487629
431.2570 1.349762
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432.7033 1.055302
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433.6676 1.015560
434.1497 1.070713
434.6318 1.203365
435.1139 1.388954
435.5960 1.531540
436.0782 1.633423
436.5603 1.666870
437.0424 1.554844
437.5245 1.336994
438.0066 1.144402
438.4887 0.9837270
438.9709 0.9202800
439.4530 1.134468
439.9351 1.575260
440.4172 1.888302
440.8993 1.719032
441.3814 1.352352
441.8636 1.100533
442.3457 1.072472
442.8278 1.087971
443.3099 0.9528660
443.7920 0.7804910
444.2741 0.7611850
444.7563 1.212032
445.2384 1.618305
445.7205 1.734402
446.2026 1.543327
446.6847 1.379784
447.1668 1.338478
447.6490 1.344925
448.1311 1.348648
448.6132 1.293766
449.0953 1.293243
449.5774 1.437592
450.0595 1.624439
450.5417 1.585972
451.0238 1.122017
451.5059 0.7712820
451.9880 0.7545590
452.4701 1.104164
452.9522 1.262569
453.4344 1.169510
453.9165 1.016968
454.3986 0.9983410
454.8807 1.117489
455.3628 1.151894
455.8449 1.082409
456.3271 0.9561390
456.8092 0.7671470
457.2913 0.5013690
457.7734 0.2634430
458.2555 9.7488001E-02
458.7376 1.2707000E-02
459.2198 4.4948999E-02
459.7019 0.1931380
460.1840 0.3623120
460.6661 0.5081180
461.1482 0.6116490
461.6303 0.6297800
462.1125 0.5014270
462.5946 0.3827590
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