#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:15:19 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1032 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000487.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_1000487
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        R050181
_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            R050181.rod
_rod_data_source.block           3500000
_rod_database.code               1000487
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
112.0958 0.0000000E+00
112.5779 0.4045660
113.0601 7.2261997E-02
113.5422 1.3449000E-02
114.0243 4.8080001E-02
114.5064 6.7280002E-02
114.9885 5.3001001E-02
115.4706 4.0052000E-02
115.9528 0.2533680
116.4349 0.4924030
116.9170 0.6575570
117.3991 0.6503620
117.8812 0.8439330
118.3633 1.709864
118.8455 2.863131
119.3276 3.547291
119.8097 2.925346
120.2918 2.030764
120.7739 1.605894
121.2560 1.866703
121.7382 2.466963
122.2203 3.412857
122.7024 4.585329
123.1845 5.588985
123.6666 6.245218
124.1487 6.586796
124.6309 6.614529
125.1130 6.043943
125.5951 5.458427
126.0772 5.515224
126.5593 6.161331
127.0414 6.924187
127.5236 7.353947
128.0057 7.623482
128.4878 8.131119
128.9699 9.103867
129.4520 10.33387
129.9341 11.53734
130.4162 12.71950
130.8984 13.74874
131.3805 14.36549
131.8626 14.65242
132.3447 15.05056
132.8268 15.75758
133.3089 16.71727
133.7911 17.58247
134.2732 18.19177
134.7553 18.66652
135.2374 19.27838
135.7195 20.03069
136.2016 20.78878
136.6838 21.48057
137.1659 22.10384
137.6480 22.78667
138.1301 23.53637
138.6122 24.34401
139.0943 25.21708
139.5765 26.16392
140.0586 27.15056
140.5407 28.23175
141.0228 29.48714
141.5049 30.40361
141.9870 30.79665
142.4692 30.95092
142.9513 31.68266
143.4334 33.14156
143.9155 34.88097
144.3976 36.69478
144.8797 38.55058
145.3619 40.51678
145.8440 42.52727
146.3261 44.63178
146.8082 46.93920
147.2903 49.51506
147.7724 52.23867
148.2546 55.08879
148.7367 58.17631
149.2188 61.20396
149.7009 64.12970
150.1830 66.95408
150.6651 69.62035
151.1473 71.88794
151.6294 74.13946
152.1115 76.61661
152.5936 79.38988
153.0757 82.30842
153.5578 85.47372
154.0400 88.88452
154.5221 91.99020
155.0042 94.55731
155.4863 96.92677
155.9684 99.39339
156.4505 101.6964
156.9327 104.4940
157.4148 108.0679
157.8969 112.6988
158.3790 117.0774
158.8611 120.5794
159.3432 123.8749
159.8254 127.6420
160.3075 132.6204
160.7896 137.5822
161.2717 141.8679
161.7538 145.2066
162.2359 149.0667
162.7181 154.3934
163.2002 160.4866
163.6823 166.3503
164.1644 171.7337
164.6465 176.6662
165.1286 181.3442
165.6108 185.9111
166.0929 189.4959
166.5750 191.8598
167.0571 193.0027
167.5392 192.8813
168.0213 191.5939
168.5035 189.0812
168.9856 185.2258
169.4677 180.0896
169.9498 173.5738
170.4319 165.1292
170.9140 155.2782
171.3962 145.3216
171.8783 135.9262
172.3604 126.7753
172.8425 117.4607
173.3246 107.6769
173.8067 98.18700
174.2889 89.47881
174.7710 81.53349
175.2531 74.40469
175.7352 68.53357
176.2173 63.43861
176.6994 58.47637
177.1816 53.39776
177.6637 48.60545
178.1458 44.62180
178.6279 41.32351
179.1100 38.31042
179.5921 35.14452
180.0743 32.04611
180.5564 29.53389
181.0385 27.83984
181.5206 26.54596
182.0027 25.20181
182.4848 23.79436
182.9670 22.21304
183.4491 20.06458
183.9312 17.62731
184.4133 15.76091
184.8954 14.78447
185.3775 14.30608
185.8597 13.65860
186.3418 12.84607
186.8239 11.96915
187.3060 11.10869
187.7881 10.25004
188.2702 9.351685
188.7523 8.346447
189.2345 7.326412
189.7166 6.522617
190.1987 5.936211
190.6808 5.433578
191.1629 4.873466
191.6451 4.273869
192.1272 3.789268
192.6093 3.490379
193.0914 3.315723
193.5735 3.053905
194.0556 2.689667
194.5378 2.337070
195.0199 2.176056
195.5020 2.193214
195.9841 2.022572
196.4662 1.464569
196.9483 0.6584170
197.4305 0.2436900
197.9126 0.2740480
198.3947 0.4493060
198.8768 0.5021510
199.3589 0.4320030
199.8410 0.2312850
200.3232 0.2034420
200.8053 0.7861180
201.2874 0.9156910
201.7695 0.4649430
202.2516 6.0642000E-02
202.7337 6.0352001E-02
203.2159 0.5487290
203.6980 0.9932400
204.1801 1.020844
204.6622 0.6859930
205.1443 0.5350690
205.6264 0.6087840
206.1086 0.7663730
206.5907 0.8691710
207.0728 0.9115410
207.5549 0.9237980
208.0370 0.9071350
208.5191 0.8629990
209.0013 0.8207240
209.4834 0.7855490
209.9655 0.7421460
210.4476 0.6643710
210.9297 0.5367660
211.4118 0.4344180
211.8940 0.3705640
212.3761 0.3447800
212.8582 0.3629800
213.3403 0.4402960
213.8224 0.5366780
214.3045 0.6225430
214.7867 0.7200160
215.2688 0.7335780
215.7509 0.5995060
216.2330 0.3212130
216.7151 0.2045940
217.1972 0.3311230
217.6794 0.5089420
218.1615 0.5157200
218.6436 0.2706720
219.1257 6.6455998E-02
219.6078 2.3585999E-02
220.0899 2.7100000E-04
220.5721 4.6108000E-02
221.0542 0.1484490
221.5363 0.2342830
222.0184 0.1942750
222.5005 9.5394000E-02
222.9826 0.2079470
223.4648 5.7579000E-02
223.9469 0.7143100
224.4290 0.9179840
224.9111 0.4667210
225.3932 0.2011910
225.8753 0.6604350
226.3575 0.8345150
226.8396 0.9553570
227.3217 1.055786
227.8038 1.137932
228.2859 1.190178
228.7680 1.111958
229.2502 1.117363
229.7323 1.439091
230.2144 2.264626
230.6965 3.038250
231.1786 3.666882
231.6607 4.150940
232.1429 4.545918
232.6250 4.773781
233.1071 4.999638
233.5892 5.371426
234.0713 5.933823
234.5534 6.551064
235.0356 7.208630
235.5177 7.899879
235.9998 8.601971
236.4819 9.311054
236.9640 10.04445
237.4461 10.82481
237.9283 11.67937
238.4104 12.52199
238.8925 13.33079
239.3746 14.11057
239.8567 14.87740
240.3388 15.56187
240.8210 16.32016
241.3031 17.29234
241.7852 18.59698
242.2673 19.86670
242.7494 21.02175
243.2315 22.08288
243.7137 23.22499
244.1958 24.47190
244.6779 25.78083
245.1600 27.11198
245.6421 28.41236
246.1242 29.84817
246.6064 31.46496
247.0885 33.24154
247.5706 35.01191
248.0527 36.61200
248.5348 38.40421
249.0169 40.65094
249.4990 43.66031
249.9812 46.44797
250.4633 48.82790
250.9454 50.91305
251.4275 53.24852
251.9096 55.85408
252.3917 58.65490
252.8739 61.56833
253.3560 64.58083
253.8381 67.77483
254.3202 71.13701
254.8023 74.70086
255.2844 78.52099
255.7666 82.60030
256.2487 86.91523
256.7308 91.46676
257.2129 96.48618
257.6950 101.1183
258.1772 105.0180
258.6593 108.5770
259.1414 113.0628
259.6235 118.8601
260.1056 124.9993
260.5877 131.1961
261.0699 137.4373
261.5520 143.4250
262.0341 148.9787
262.5162 154.4249
262.9983 160.6596
263.4804 167.9857
263.9626 175.3051
264.4447 182.0114
264.9268 187.8652
265.4089 194.5245
265.8910 202.3363
266.3731 210.6819
266.8553 218.6641
267.3374 226.0952
267.8195 233.5337
268.3016 240.9854
268.7837 248.5393
269.2658 256.2400
269.7480 263.9795
270.2301 272.0001
270.7122 280.7452
271.1943 290.5361
271.6764 299.7614
272.1585 307.4516
272.6407 313.6026
273.1228 320.8321
273.6049 329.4681
274.0870 338.4564
274.5691 346.7007
275.0512 354.0769
275.5334 361.0104
276.0155 367.6975
276.4976 374.0960
276.9797 379.5988
277.4618 384.1148
277.9439 387.9620
278.4261 391.4813
278.9081 394.6897
279.3903 397.3424
279.8724 399.4472
280.3545 400.9469
280.8366 401.5428
281.3187 401.1933
281.8008 400.1024
282.2830 398.6370
282.7651 396.8454
283.2472 393.8630
283.7293 389.4181
284.2114 383.7040
284.6935 377.1245
285.1757 369.5582
285.6578 361.9713
286.1399 355.3038
286.6220 349.4449
287.1041 342.8934
287.5862 335.3382
288.0684 327.1336
288.5505 319.2831
289.0326 311.7563
289.5147 303.7393
289.9968 294.3850
290.4789 283.9204
290.9611 273.9704
291.4432 264.6459
291.9253 255.7215
292.4074 247.1702
292.8895 238.8745
293.3716 230.4447
293.8538 221.4398
294.3359 212.0663
294.8180 202.8862
295.3001 194.0038
295.7822 185.4581
296.2643 177.6932
296.7465 170.5132
297.2286 162.8528
297.7107 153.4784
298.1928 143.3546
298.6749 134.6995
299.1570 127.5086
299.6392 121.0780
300.1213 115.0637
300.6034 109.3605
301.0855 103.9677
301.5676 98.97402
302.0497 94.14285
302.5319 89.09615
303.0140 83.81733
303.4961 78.81768
303.9782 74.50152
304.4603 70.72753
304.9424 67.06133
305.4246 63.35026
305.9067 59.78183
306.3888 56.64749
306.8709 53.90513
307.3530 51.28128
307.8351 48.70782
308.3173 46.15519
308.7994 43.55729
309.2815 40.74420
309.7636 38.13173
310.2457 36.18640
310.7278 34.71285
311.2100 33.23967
311.6921 31.31909
312.1742 29.37631
312.6563 27.88367
313.1384 27.01489
313.6205 26.18002
314.1027 24.91217
314.5848 23.43179
315.0669 22.10979
315.5490 21.22602
316.0311 20.47593
316.5132 19.69370
316.9954 18.84637
317.4775 18.08709
317.9596 17.55145
318.4417 17.11650
318.9238 16.63555
319.4059 16.02813
319.8881 15.39613
320.3702 14.74553
320.8523 14.08202
321.3344 13.53680
321.8165 13.29676
322.2986 13.11406
322.7808 12.79660
323.2629 12.11740
323.7450 11.49510
324.2271 10.98672
324.7092 10.59317
325.1913 10.30537
325.6735 10.24782
326.1556 10.21677
326.6377 10.11046
327.1198 9.892311
327.6019 9.639908
328.0840 9.399769
328.5662 9.134926
329.0483 8.734825
329.5304 7.960278
330.0125 7.287106
330.4946 6.882225
330.9767 6.842178
331.4589 6.801926
331.9410 6.787510
332.4231 6.770245
332.9052 6.711712
333.3873 6.572151
333.8694 6.388161
334.3516 6.179195
334.8337 5.953442
335.3158 5.653778
335.7979 5.215427
336.2800 4.794525
336.7621 4.559589
337.2443 4.585884
337.7264 4.552799
338.2085 4.399193
338.6906 4.150707
339.1727 3.924393
339.6548 3.728168
340.1370 3.536118
340.6191 3.294102
341.1012 2.985134
341.5833 2.839569
342.0654 2.951115
342.5475 3.151268
343.0297 3.024441
343.5118 2.532188
343.9939 2.044662
344.4760 1.777340
344.9581 1.715649
345.4402 1.603313
345.9224 1.414921
346.4045 1.235737
346.8866 1.272770
347.3687 1.495449
347.8508 1.538918
348.3329 1.109974
348.8151 0.4274670
349.2972 0.1530460
349.7793 0.2977070
350.2614 0.5323300
350.7435 0.5977060
351.2256 0.5152170
351.7078 0.3122410
352.1899 0.1110760
352.6720 0.5183640
353.1541 0.5136950
353.6362 0.1630630
354.1183 0.1669390
354.6005 0.2257460
355.0826 0.1158260
355.5647 5.1022001E-02
356.0468 0.2953380
356.5289 0.4773750
357.0110 0.4035610
357.4932 0.1753850
357.9753 2.5318000E-02
358.4574 0.1623740
358.9395 0.3622280
359.4216 0.4350890
359.9037 0.3564000
360.3859 0.2589380
360.8680 0.1534330
361.3501 8.8655002E-02
361.8322 0.1249390
362.3143 0.4105700
362.7964 0.6903550
363.2786 0.8758220
363.7607 0.9639260
364.2428 0.9554790
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365.2070 0.4969980
365.6891 0.3438470
366.1713 0.3966290
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368.0997 0.1351870
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370.9924 0.4117320
371.4745 0.7029290
371.9567 0.7577530
372.4388 0.3790230
372.9209 5.0484002E-02
373.4030 0.1125970
373.8851 0.1051580
374.3672 0.1162870
374.8494 0.1492140
375.3315 0.1972520
375.8136 0.2518880
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376.7778 0.3991990
377.2599 0.5760990
377.7421 0.7753560
378.2242 0.7709690
378.7063 0.5202770
379.1884 0.2412220
379.6705 4.8285000E-02
380.1526 6.0524002E-02
380.6348 0.1161880
381.1169 0.1202450
381.5990 7.0073999E-02
382.0811 6.4787000E-02
382.5632 0.2787950
383.0453 0.4736040
383.5275 0.5936050
384.0096 0.6660290
384.4917 0.7840520
384.9738 0.9509450
385.4559 1.089777
385.9380 1.117739
386.4202 1.064383
386.9023 1.002766
387.3844 0.9456460
387.8665 0.8936210
388.3486 0.8913760
388.8307 0.9108140
389.3129 0.8345680
389.7950 0.4086020
390.2771 6.4971998E-02
390.7592 0.2240920
391.2413 1.8077999E-02
391.7234 0.3739300
392.2056 0.7796000
392.6877 1.144878
393.1698 1.342756
393.6519 1.032421
394.1340 0.7584650
394.6161 0.9143200
395.0983 1.491529
395.5804 1.915060
396.0625 1.899084
396.5446 1.692654
397.0267 1.481504
397.5089 1.278147
397.9910 1.103327
398.4731 0.9051780
398.9552 0.7282520
399.4373 0.7085820
399.9194 1.092630
400.4016 1.429733
400.8837 1.538256
401.3658 1.329304
401.8479 1.200375
402.3300 1.139275
402.8121 1.138523
403.2942 1.195250
403.7763 1.327398
404.2585 1.490847
404.7406 1.719986
405.2227 1.994421
405.7048 2.043493
406.1869 1.761734
406.6690 1.491692
407.1512 1.535616
407.6333 1.946188
408.1154 2.202679
408.5975 2.253014
409.0796 2.140650
409.5617 1.858597
410.0439 1.395824
410.5260 1.049482
411.0081 1.077824
411.4902 1.405134
411.9723 1.615192
412.4544 1.693501
412.9366 1.709160
413.4187 1.675341
413.9008 1.616625
414.3829 1.654329
414.8650 1.917316
415.3471 2.224224
415.8293 2.275934
416.3114 2.105528
416.7935 1.951286
417.2756 2.082375
417.7577 2.273821
418.2398 2.244383
418.7220 1.902090
419.2041 1.568657
419.6862 1.441734
420.1683 1.427326
420.6504 1.405725
421.1325 1.316963
421.6147 1.241459
422.0968 1.234798
422.5789 1.307617
423.0610 1.372101
423.5431 1.399345
424.0252 1.392200
424.5074 1.362221
424.9895 1.328693
425.4716 1.267216
425.9537 1.116529
426.4358 0.9243550
426.9179 0.8197730
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