#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:33:25 +0300 (Thu, 24 May 2018) $
#$Revision: 720 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000225.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_1000225
loop_
_publ_author_name
'Mills, S. J.'
'Whitfield, P. S.'
'Wilson, S. A.'
'Woodhouse, J. N.'
'Dipple, G. M.'
'Raudsepp, M.'
'Francis, C. A.'
_publ_section_title
;
 The crystal structure of stichtite, re-examination of barbertonite, and
 the nature of polytypism in MgCr hydrotalcites Note: 3R1 polytype of
 stichtite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              179
_journal_page_last               187
_journal_paper_doi               10.2138/am.2011.3531
_journal_volume                  96
_journal_year                    2011
_chemical_compound_source        'Tasmania, Australia'
_chemical_formula_sum            'C0.118 H3.224 Cr0.23 Mg0.77 O2.966'
_chemical_name_mineral           Stichtite
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.09552
_cell_length_b                   3.09552
_cell_length_c                   23.5042
_cell_volume                     195.049
_exptl_crystal_density_diffrn    2.115
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        '(Mg.77 Cr.23) O2.966 H3.224 C.118'
_cod_database_code               9016161
_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            R060303.rod
_rod_data_source.block           3500000
_rod_database.code               1000225
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 9016161 COD http://www.crystallography.net/cod/9016161.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
160.8812 0.0000000E+00
161.3633 0.8242650
161.8455 2.487289
162.3276 3.111740
162.8097 2.011108
163.2918 1.585480
163.7739 3.039703
164.2560 5.499741
164.7382 6.801437
165.2203 8.072052
165.7024 8.964005
166.1845 8.781189
166.6666 7.023422
167.1487 5.584702
167.6309 5.683701
168.1130 6.834991
168.5951 8.019455
169.0772 8.780853
169.5593 9.361954
170.0414 10.01056
170.5236 10.88545
171.0057 11.55859
171.4878 11.76605
171.9699 11.53723
172.4520 10.95804
172.9341 9.629166
173.4163 8.136505
173.8984 7.254105
174.3805 7.450836
174.8626 7.787094
175.3447 7.280762
175.8268 6.075775
176.3090 4.870300
176.7911 4.094254
177.2732 3.640594
177.7553 3.399170
178.2374 3.426193
178.7195 3.531281
179.2017 3.353165
179.6838 2.933670
180.1659 2.722290
180.6480 3.336914
181.1301 4.424408
181.6122 5.165268
182.0944 5.265091
182.5765 4.941727
183.0586 4.335419
183.5407 3.463943
184.0228 2.914413
184.5049 3.678665
184.9871 5.229309
185.4692 6.092270
185.9513 5.543610
186.4334 4.125000
186.9155 2.947052
187.3976 2.200378
187.8798 1.810608
188.3619 2.190079
188.8440 3.399750
189.3261 4.521988
189.8082 4.758179
190.2903 4.444611
190.7725 4.719620
191.2546 5.287125
191.7367 5.847931
192.2188 5.850677
192.7009 5.220428
193.1830 4.192093
193.6652 3.864914
194.1473 4.315781
194.6294 4.597748
195.1115 4.622620
195.5936 4.610855
196.0757 4.351196
196.5579 3.792419
197.0400 3.385193
197.5221 3.378723
198.0042 3.734283
198.4863 3.752136
198.9684 3.322922
199.4506 2.806976
199.9327 2.825562
200.4148 3.429520
200.8969 3.926117
201.3790 4.007004
201.8611 3.658157
202.3433 3.164444
202.8254 2.347534
203.3075 1.662552
203.7896 2.222076
204.2717 4.370300
204.7538 6.013931
205.2360 6.078033
205.7181 4.367432
206.2002 2.800674
206.6823 1.252396
207.1644 7.6750000E-03
207.6465 0.3053590
208.1287 0.6476440
208.6108 1.562225
209.0929 1.840317
209.5750 1.362106
210.0571 0.8804320
210.5392 0.3342740
211.0214 0.1544800
211.5035 0.2567140
211.9856 0.2040710
212.4677 0.5769650
212.9498 0.4819640
213.4319 0.2728580
213.9140 0.6408390
214.3962 0.4622500
214.8783 8.7740002E-03
215.3604 0.1732640
215.8425 6.4194001E-02
216.3246 0.3958130
216.8067 0.7412260
217.2889 1.190369
217.7710 1.302338
218.2531 0.8911130
218.7352 0.2318120
219.2173 4.2525999E-02
219.6994 0.5973360
220.1816 1.116577
220.6637 1.192886
221.1458 0.5570980
221.6279 0.2656560
222.1100 0.4104460
222.5921 0.8714750
223.0743 1.442917
223.5564 2.425125
224.0385 2.974380
224.5206 2.500824
225.0027 0.2540130
225.4848 0.9652250
225.9670 0.7111360
226.4491 0.4640810
226.9312 1.140671
227.4133 1.165375
227.8954 0.9318850
228.3775 0.5666500
228.8597 0.1090700
229.3418 0.4375460
229.8239 0.1486970
230.3060 0.4296260
230.7881 0.2900850
231.2702 1.113403
231.7524 1.193545
232.2345 1.211087
232.7166 1.882309
233.1987 1.453110
233.6808 1.820801
234.1629 2.659241
234.6451 3.085037
235.1272 2.867218
235.6093 2.584290
236.0914 2.530960
236.5735 2.972412
237.0556 3.014938
237.5378 2.384903
238.0199 1.442581
238.5020 1.135162
238.9841 1.815643
239.4662 2.608246
239.9483 3.163147
240.4305 3.446365
240.9126 3.540924
241.3947 3.315109
241.8768 2.938278
242.3589 2.869461
242.8410 3.378143
243.3232 3.774811
243.8053 3.671158
244.2874 2.565598
244.7695 2.210800
245.2516 2.935287
245.7337 4.275375
246.2159 5.184738
246.6980 5.442612
247.1801 5.619385
247.6622 5.965851
248.1443 6.631088
248.6264 7.029129
249.1086 6.996826
249.5907 6.782593
250.0728 6.933731
250.5549 7.707687
251.0370 8.414246
251.5191 8.783432
252.0013 8.727036
252.4834 8.579376
252.9655 8.210999
253.4476 7.826721
253.9297 7.826874
254.4118 8.329224
254.8940 8.994324
255.3761 9.771088
255.8582 10.77338
256.3403 11.40860
256.8224 11.52480
257.3046 11.39410
257.7867 11.43823
258.2688 11.63110
258.7509 12.07227
259.2330 12.96220
259.7151 14.52278
260.1973 15.16136
260.6794 14.39130
261.1615 13.16774
261.6436 12.96875
262.1257 14.19855
262.6078 15.45958
263.0900 16.28375
263.5721 16.61082
264.0542 17.21021
264.5363 18.31906
265.0184 19.40910
265.5005 19.72694
265.9827 19.00256
266.4648 18.43372
266.9469 18.43394
267.4290 19.01845
267.9111 19.29774
268.3932 19.06284
268.8754 18.82390
269.3575 19.29187
269.8396 20.75034
270.3217 21.99634
270.8038 22.71288
271.2859 22.90799
271.7681 23.01396
272.2502 23.04454
272.7323 23.08316
273.2144 23.14058
273.6965 23.18311
274.1786 23.37358
274.6608 23.85747
275.1429 24.53960
275.6250 24.65988
276.1071 24.04001
276.5892 23.52695
277.0714 24.07558
277.5535 25.81505
278.0356 26.90993
278.5177 26.87393
278.9998 26.05820
279.4819 25.68207
279.9641 25.76273
280.4462 26.03999
280.9283 26.48639
281.4104 27.09383
281.8925 27.15610
282.3746 26.48204
282.8568 25.47781
283.3389 24.84337
283.8210 24.57729
284.3031 24.41707
284.7852 24.16852
285.2673 23.88652
285.7495 23.86766
286.2316 24.23831
286.7137 24.78767
287.1958 25.02974
287.6779 24.95058
288.1600 24.62032
288.6422 24.02824
289.1243 23.24512
289.6064 22.64201
290.0885 22.27190
290.5706 22.01118
291.0527 21.62486
291.5349 21.13275
292.0170 20.74821
292.4991 20.64140
292.9812 20.74879
293.4633 20.94388
293.9454 21.30722
294.4276 21.45552
294.9097 20.49715
295.3918 18.68466
295.8739 17.38010
296.3560 17.83963
296.8381 19.23485
297.3203 19.44409
297.8024 18.32353
298.2845 16.95821
298.7666 16.57816
299.2487 16.91611
299.7308 17.13254
300.2130 16.79623
300.6951 16.16383
301.1772 15.53574
301.6593 14.91948
302.1414 14.53763
302.6235 14.85536
303.1057 15.54736
303.5878 15.93922
304.0699 15.73418
304.5520 15.18445
305.0341 14.35863
305.5162 13.32201
305.9984 12.60693
306.4805 13.10239
306.9626 14.03467
307.4447 14.22716
307.9268 12.77267
308.4089 11.26419
308.8911 11.46895
309.3732 12.96869
309.8553 14.03947
310.3374 13.19196
310.8195 11.64008
311.3016 10.54959
311.7838 10.22964
312.2659 10.31642
312.7480 11.03345
313.2301 12.02916
313.7122 12.45349
314.1943 11.07883
314.6765 9.503647
315.1586 8.948669
315.6407 9.879135
316.1228 10.88664
316.6049 11.48637
317.0870 11.70251
317.5692 11.56981
318.0513 10.41098
318.5334 9.471909
319.0155 9.622986
319.4976 11.14058
319.9797 12.15385
320.4619 11.53905
320.9440 10.25365
321.4261 9.381714
321.9082 9.876495
322.3903 10.16534
322.8724 9.497177
323.3546 7.834625
323.8367 6.799377
324.3188 7.286270
324.8009 8.211914
325.2830 8.729630
325.7651 8.571686
326.2473 8.112946
326.7294 7.141525
327.2115 5.793289
327.6936 4.968643
328.1757 5.055969
328.6578 5.471359
329.1400 5.945221
329.6221 6.891022
330.1042 7.211044
330.5863 6.430099
331.0684 5.043655
331.5505 4.525772
332.0327 5.790802
332.5148 6.835114
332.9969 6.720978
333.4790 4.700668
333.9611 3.707108
334.4432 4.195755
334.9254 5.375732
335.4075 5.983902
335.8896 5.881409
336.3717 5.727264
336.8538 5.632614
337.3359 5.498459
337.8180 5.439911
338.3001 5.439240
338.7823 5.610382
339.2644 6.148041
339.7465 7.189468
340.2286 7.889328
340.7107 8.021606
341.1928 7.691742
341.6750 7.442215
342.1571 7.275253
342.6392 7.068512
343.1213 6.684036
343.6034 6.126358
344.0855 5.701111
344.5677 5.419968
345.0498 5.325287
345.5319 5.669662
346.0140 6.464005
346.4961 7.134048
346.9782 7.345139
347.4604 7.152084
347.9425 6.659836
348.4246 5.771194
348.9067 4.903580
349.3888 4.908875
349.8709 5.593399
350.3531 5.914368
350.8352 4.797287
351.3173 3.083038
351.7994 2.511917
352.2815 3.210022
352.7636 4.258255
353.2458 5.052643
353.7279 5.549377
354.2100 5.641159
354.6921 4.802643
355.1742 3.868408
355.6563 3.971420
356.1385 4.996582
356.6206 5.758881
357.1027 4.910721
357.5848 3.539291
358.0669 2.983688
358.5490 4.119843
359.0312 5.368378
359.5133 5.706116
359.9954 5.336639
360.4775 4.905106
360.9596 4.652084
361.4417 4.486572
361.9239 4.330994
362.4060 4.138596
362.8881 4.057663
363.3702 4.300735
363.8523 4.660538
364.3344 4.819534
364.8166 4.386169
365.2987 4.006531
365.7808 4.093506
366.2629 4.779816
366.7450 4.943375
367.2271 3.727264
367.7093 2.250458
368.1914 1.496155
368.6735 2.411087
369.1556 3.103287
369.6377 3.281479
370.1198 2.994049
370.6020 2.580658
371.0841 1.630310
371.5662 0.9348140
372.0483 0.9638520
372.5304 2.234589
373.0125 3.272751
373.4947 4.090073
373.9768 4.633835
374.4589 4.761383
374.9410 4.369476
375.4231 3.763382
375.9052 2.951492
376.3874 1.852356
376.8695 1.200455
377.3516 1.059311
377.8337 1.250534
378.3158 1.674957
378.7979 2.403275
379.2801 2.840042
379.7622 2.790924
380.2443 2.330276
380.7264 1.716080
381.2085 0.9194490
381.6906 0.1845250
382.1728 0.3561100
382.6549 0.6869200
383.1370 0.6246640
383.6191 0.9450575
384.1012 0.7775880
384.5833 1.319473
385.0655 1.598907
385.5476 1.621445
386.0297 1.052185
386.5118 0.3142240
386.9939 0.3782200
387.4760 1.452103
387.9582 2.409409
388.4403 1.927307
388.9224 0.5530400
389.4045 0.5712740
389.8866 0.7750700
390.3687 0.6685030
390.8509 0.8102260
391.3330 1.172516
391.8151 1.355743
392.2972 0.6776120
392.7793 0.1011050
393.2614 0.1788330
393.7436 1.356415
394.2257 2.624237
394.7078 2.589615
395.1899 1.655090
395.6720 0.8761900
396.1541 0.7640690
396.6363 0.7377930
397.1184 0.4559020
397.6005 0.3085020
398.0826 0.7292790
398.5647 0.3845670
399.0468 0.2662510
399.5290 0.6661680
400.0111 0.5449520
400.4932 0.4212340
400.9753 0.4035030
401.4574 0.4907680
401.9395 0.4954070
402.4217 0.4294740
402.9038 0.2677610
403.3859 0.5426434
403.8680 0.5843350
404.3501 1.018433
404.8322 1.309799
405.3144 1.459808
405.7965 1.399307
406.2786 1.023178
406.7607 0.7819370
407.2428 1.017288
407.7249 1.761703
408.2071 1.938965
408.6892 1.407196
409.1713 0.6951450
409.6534 0.5284120
410.1355 0.8991240
410.6176 1.275909
411.0998 1.542999
411.5819 1.682571
412.0640 1.548752
412.5461 1.151474
413.0282 0.8705440
413.5103 1.128525
413.9925 1.714478
414.4746 2.183014
414.9567 2.446808
415.4388 2.592224
415.9209 2.598770
416.4030 2.581436
416.8852 2.781860
417.3673 3.569931
417.8494 4.463684
418.3315 5.118256
418.8136 5.501923
419.2957 5.597885
419.7779 4.990295
420.2600 4.250031
420.7421 3.963531
421.2242 4.879089
421.7063 5.714584
422.1884 5.854660
422.6706 5.504395
423.1527 5.490433
423.6348 6.405151
424.1169 7.388504
424.5990 8.022934
425.0811 8.111862
425.5633 8.207062
426.0454 8.148849
426.5275 8.230576
427.0096 8.829712
427.4917 10.52945
427.9738 11.82660
428.4560 12.31010
428.9381 11.99878
429.4202 11.78822
429.9023 11.66528
430.3844 11.77452
430.8665 12.28984
431.3487 13.33244
431.8308 13.90689
432.3129 13.77188
432.7950 13.32173
433.2771 13.43642
433.7592 14.13106
434.2414 14.75548
434.7235 14.98242
435.2056 14.90508
435.6877 14.77007
436.1698 14.55780
436.6519 14.56810
437.1341 15.24622
437.6162 16.36667
438.0983 17.37376
438.5804 18.08003
439.0625 18.64487
439.5446 19.34590
440.0268 20.08940
440.5089 20.55899
440.9910 20.19994
441.4731 19.77019
441.9552 19.99422
442.4373 21.03760
442.9195 22.11256
443.4016 22.86874
443.8837 23.39444
444.3658 23.80399
444.8479 23.87878
445.3300 24.19519
445.8122 25.16357
446.2943 26.63307
446.7764 27.55774
447.2585 26.94814
447.7406 26.41122
448.2227 26.84142
448.7049 29.20250
449.1870 30.59093
449.6691 30.56509
450.1512 29.84779
450.6333 29.42265
451.1154 29.13483
451.5976 29.24977
452.0797 30.02299
452.5618 31.47299
453.0439 32.68501
453.5260 33.60057
454.0081 34.28487
454.4903 34.72697
454.9724 34.94109
455.4545 35.36546
455.9366 36.12474
456.4187 36.82387
456.9008 36.63927
457.3830 35.69226
457.8651 34.85277
458.3472 34.67989
458.8293 34.81746
459.3114 34.72797
459.7935 34.40631
460.2757 33.70744
460.7578 32.01830
461.2399 30.04221
461.7220 28.85645
462.2041 29.25732
462.6862 29.54430
463.1684 28.43060
463.6505 26.35612
464.1326 24.35849
464.6147 22.91653
465.0968 21.59392
465.5789 20.14114
466.0611 18.49176
466.5432 17.06204
467.0253 16.09438
467.5074 15.29778
467.9895 14.44588
468.4716 13.83633
468.9538 12.71098
469.4359 10.58406
469.9180 7.928131
470.4001 6.334671
470.8822 6.383408
471.3643 6.492645
471.8465 6.028656
472.3286 4.943237
472.8107 3.776031
473.2928 2.487396
473.7749 1.251236
474.2570 0.1910400
474.7392 0.6903080
475.2213 1.063080
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