#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:36:22 +0300 (Thu, 26 Apr 2018) $
#$Revision: 498 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000052.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_1000052
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 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            R060303.rod
_rod_data_source.block           3500000
_rod_database.code               1000052
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
149.8693 0.0000000E+00
150.3514 1.5228000E-02
150.8336 6.1188001E-02
151.3157 0.3573460
151.7978 0.4404450
152.2799 0.2999570
152.7620 0.3250430
153.2441 1.083511
153.7263 2.171707
154.2084 2.937119
154.6905 2.917938
155.1726 2.428665
155.6547 2.232056
156.1368 2.487259
156.6190 2.698853
157.1011 2.630997
157.5832 2.374954
158.0653 2.073929
158.5474 1.843185
159.0295 1.753784
159.5117 1.721817
159.9938 1.706573
160.4759 1.822556
160.9580 1.848816
161.4401 1.853073
161.9222 2.021240
162.4044 2.382706
162.8865 2.951683
163.3686 3.304916
163.8507 3.255493
164.3328 3.263504
164.8149 3.496315
165.2971 3.851677
165.7792 4.175987
166.2613 4.427940
166.7434 4.675781
167.2255 4.577950
167.7076 3.765549
168.1898 2.859879
168.6719 2.503670
169.1540 2.828018
169.6361 3.277512
170.1182 3.174019
170.6003 1.971092
171.0825 1.394264
171.5646 2.292107
172.0467 3.656906
172.5288 4.407646
173.0109 4.542297
173.4930 4.263542
173.9752 3.968636
174.4573 3.776352
174.9394 3.850853
175.4215 4.023102
175.9036 4.036667
176.3857 4.054337
176.8679 4.247177
177.3500 4.393700
177.8321 4.247536
178.3142 3.676987
178.7963 2.989578
179.2784 2.494461
179.7606 2.261871
180.2427 2.283752
180.7248 2.753540
181.2069 3.291962
181.6890 3.440086
182.1711 3.191948
182.6533 2.868584
183.1354 2.718513
183.6175 2.758530
184.0996 2.840446
184.5817 2.914917
185.0638 3.040131
185.5460 3.362160
186.0281 3.891502
186.5102 4.316116
186.9923 4.113678
187.4744 2.911766
187.9565 2.026672
188.4387 1.838684
188.9208 1.836533
189.4029 1.649635
189.8850 1.169792
190.3671 0.6130600
190.8492 0.4047240
191.3314 0.8269120
191.8135 1.166878
192.2956 1.387238
192.7777 1.514351
193.2598 1.619415
193.7419 1.723358
194.2241 1.719376
194.7062 1.350166
195.1883 8.5600000E-03
195.6704 1.026253
196.1525 1.641251
196.6346 1.908165
197.1168 1.796181
197.5989 1.274269
198.0810 0.5415950
198.5631 0.1875610
199.0452 0.5245290
199.5273 0.7983170
200.0095 0.9464800
200.4916 0.9478380
200.9737 0.7134700
201.4558 0.1505890
201.9379 0.5647810
202.4200 0.9157870
202.9022 0.8066020
203.3843 0.6079790
203.8664 0.4267810
204.3485 0.2515640
204.8306 3.3920001E-02
205.3127 0.2915190
205.7949 0.6158290
206.2770 0.7087550
206.7591 0.5080410
207.2412 0.2445220
207.7233 0.2946470
208.2054 0.8245390
208.6876 1.107185
209.1697 0.8980790
209.6518 0.4871670
210.1339 0.3316420
210.6160 0.5177310
211.0981 0.7647780
211.5803 0.7244490
212.0624 0.3948520
212.5445 0.4325790
213.0266 1.514679
213.5087 2.803909
213.9908 3.480431
214.4730 3.364166
214.9551 2.969551
215.4372 2.841522
215.9193 3.016602
216.4014 3.214272
216.8836 3.166039
217.3657 3.226097
217.8478 3.750664
218.3299 4.833351
218.8120 6.044846
219.2941 6.783699
219.7763 6.930191
220.2584 6.986023
220.7405 6.953140
221.2226 6.920258
221.7047 6.989044
222.1868 7.179169
222.6690 7.358177
223.1511 7.268326
223.6332 6.680298
224.1153 6.354515
224.5974 6.451576
225.0795 6.731926
225.5617 7.030792
226.0438 7.301277
226.5259 7.600960
227.0080 8.062859
227.4901 8.938477
227.9722 9.493851
228.4544 9.524002
228.9365 9.378952
229.4186 9.331444
229.9007 9.455727
230.3828 9.656288
230.8649 9.755951
231.3471 9.548759
231.8292 9.585968
232.3113 10.19600
232.7934 10.84057
233.2755 10.96025
233.7576 10.43867
234.2398 9.738739
234.7219 9.650383
235.2040 10.73806
235.6861 11.44893
236.1682 11.51849
236.6503 11.35908
237.1325 11.34127
237.6146 11.56478
238.0967 11.88283
238.5788 12.08093
239.0609 12.10279
239.5430 12.10810
240.0252 12.04205
240.5073 11.98521
240.9894 12.05552
241.4715 12.28120
241.9536 12.52067
242.4357 12.52632
242.9179 12.17281
243.4000 12.18078
243.8821 13.03865
244.3642 14.09845
244.8463 14.62160
245.3284 14.44231
245.8106 13.95004
246.2927 13.49855
246.7748 13.07632
247.2569 12.94632
247.7390 13.35632
248.2211 13.97918
248.7033 14.46537
249.1854 14.78382
249.6675 14.95711
250.1496 14.97164
250.6317 14.84306
251.1138 14.65158
251.5960 14.09054
252.0781 13.60735
252.5602 13.99476
253.0423 15.45356
253.5244 16.79368
254.0065 16.80531
254.4887 15.90636
254.9708 15.14531
255.4529 14.82965
255.9350 14.82129
256.4171 14.93463
256.8992 15.14745
257.3813 15.32336
257.8635 15.28004
258.3456 15.15359
258.8277 15.19070
259.3098 15.59718
259.7919 16.13997
260.2740 16.48848
260.7562 16.61726
261.2383 16.62457
261.7204 16.41046
262.2025 16.14417
262.6846 16.03230
263.1667 16.10730
263.6489 16.36189
264.1310 16.93638
264.6131 17.99306
265.0952 18.76349
265.5773 18.62006
266.0594 18.10719
266.5416 17.68093
267.0237 17.43320
267.5058 17.37164
267.9879 17.58693
268.4700 18.16570
268.9521 18.64692
269.4343 18.84896
269.9164 18.89193
270.3985 18.79123
270.8806 18.53994
271.3627 18.34812
271.8448 18.54499
272.3270 19.22822
272.8091 19.75672
273.2912 19.91132
273.7733 19.89888
274.2554 19.79169
274.7375 19.60862
275.2197 19.42420
275.7018 19.39737
276.1839 19.60384
276.6660 19.50758
277.1481 18.49392
277.6302 17.54211
278.1124 17.20691
278.5945 17.49022
279.0766 17.98000
279.5587 18.35239
280.0408 18.62573
280.5229 18.63262
281.0051 17.84915
281.4872 17.23167
281.9693 17.38500
282.4514 18.13153
282.9335 18.79741
283.4156 18.76564
283.8978 18.01879
284.3799 17.33253
284.8620 16.69409
285.3441 16.14364
285.8262 15.68005
286.3083 15.30989
286.7905 15.05519
287.2726 14.95803
287.7547 14.99813
288.2368 14.97393
288.7189 14.80336
289.2010 14.66301
289.6832 14.69099
290.1653 14.76342
290.6474 14.67391
291.1295 14.28282
291.6116 13.68147
292.0938 13.24387
292.5759 13.06396
293.0580 12.93573
293.5401 12.84081
294.0222 12.76164
294.5043 12.70806
294.9865 12.68824
295.4686 12.63768
295.9507 12.35019
296.4328 11.46775
296.9149 11.00984
297.3970 11.52228
297.8792 12.21694
298.3613 12.37083
298.8434 11.78201
299.3255 10.81375
299.8076 10.07438
300.2897 9.576962
300.7719 9.330589
301.2540 9.535675
301.7361 9.799938
302.2182 9.901539
302.7003 9.792580
303.1824 9.532166
303.6646 9.140934
304.1467 8.522388
304.6288 8.141998
305.1109 8.206837
305.5930 8.307907
306.0751 8.276356
306.5573 8.100353
307.0394 7.846172
307.5215 7.564472
308.0036 7.253475
308.4857 6.958065
308.9678 6.511341
309.4500 6.247856
309.9321 6.501076
310.4142 7.019299
310.8963 7.269753
311.3784 6.828732
311.8605 5.796089
312.3427 5.128269
312.8248 4.971287
313.3069 5.084522
313.7890 5.738266
314.2711 6.537060
314.7532 6.980675
315.2354 6.813107
315.7175 6.195854
316.1996 5.571911
316.6817 4.745575
317.1638 4.274105
317.6459 4.490395
318.1281 4.852375
318.6102 4.832214
319.0923 4.292133
319.5744 3.622784
320.0565 3.533112
320.5386 4.443729
321.0208 5.000282
321.5029 4.877045
321.9850 4.631138
322.4671 4.663548
322.9492 4.966297
323.4313 5.186378
323.9135 4.920544
324.3956 4.035751
324.8777 3.467945
325.3598 3.475616
325.8419 3.564304
326.3240 3.530117
326.8062 3.361500
327.2883 3.157578
327.7704 3.073055
328.2525 3.108982
328.7346 2.840057
329.2167 1.704269
329.6989 0.9253080
330.1810 1.020107
330.6631 1.573051
331.1452 1.978966
331.6273 1.896885
332.1094 1.548714
332.5916 1.614998
333.0737 2.492126
333.5558 2.965702
334.0379 2.563858
334.5200 1.918209
335.0021 1.628143
335.4843 1.861610
335.9664 2.303566
336.4485 2.492874
336.9306 2.369400
337.4127 2.236832
337.8948 1.870850
338.3770 1.661469
338.8591 2.040577
339.3412 2.944729
339.8233 3.773102
340.3055 3.797874
340.7876 2.901516
341.2697 2.313675
341.7518 2.331612
342.2339 2.393795
342.7160 2.259220
343.1982 2.001366
343.6803 1.826405
344.1624 1.836880
344.6445 1.960213
345.1266 2.020519
345.6087 1.987667
346.0909 1.937222
346.5730 1.887806
347.0551 1.840794
347.5372 1.800903
348.0193 1.771088
348.5014 1.742180
348.9836 1.716564
349.4657 1.717476
349.9478 1.620724
350.4299 1.305737
350.9120 0.9370310
351.3941 0.6000250
351.8763 0.3151930
352.3584 0.1310620
352.8405 9.4375998E-02
353.3226 0.2051320
353.8047 0.4820330
354.2868 1.257023
354.7690 1.842201
355.2511 1.526703
355.7332 0.5520860
356.2153 4.9598999E-02
356.6974 0.8494450
357.1795 2.735676
357.6617 3.479889
358.1438 2.573147
358.6259 1.519634
359.1080 1.195305
359.5901 1.290352
360.0722 1.323868
360.5544 1.103981
361.0365 0.7738880
361.5186 0.5024340
362.0007 0.2856640
362.4828 0.1694790
362.9649 0.1324080
363.4471 0.2431070
363.9292 0.6727980
364.4113 1.543854
364.8934 2.259930
365.3755 2.268940
365.8576 1.683228
366.3398 1.107094
366.8219 0.6416240
367.3040 0.2797850
367.7861 2.3552001E-02
368.2682 0.2668690
368.7503 0.3439560
369.2325 9.0678997E-02
369.7146 0.3204380
370.1967 0.6082310
370.6788 0.7480390
371.1609 0.7682110
371.6430 0.6266780
372.1252 0.3745990
372.6073 0.1882590
373.0894 0.1436230
373.5715 0.1301990
374.0536 7.0529999E-03
374.5357 0.2255170
375.0179 0.2286950
375.5000 0.2350770
375.9821 0.9035340
376.4642 1.151497
376.9463 0.8682290
377.4284 0.4929810
377.9106 9.8297000E-02
378.3927 0.2641790
378.8748 0.5164640
379.3569 0.6412390
379.8390 0.6193890
380.3211 0.3472290
380.8033 0.2674370
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382.2496 0.2572900
382.7317 0.7813800
383.2138 1.255394
383.6960 1.438972
384.1781 1.091473
384.6602 0.2636490
385.1423 0.2955860
385.6244 0.5515290
386.1065 0.6390720
386.5887 0.4369960
387.0708 0.1187630
387.5529 3.4439001E-02
388.0350 0.3538510
388.5171 0.8288500
388.9992 0.8991550
389.4814 5.8479000E-02
389.9635 0.4203030
390.4456 0.2043760
390.9277 0.1531220
391.4098 0.1608620
391.8919 0.2239840
392.3741 0.6718790
392.8562 0.8235400
393.3383 0.6223220
393.8204 0.5419960
394.3025 0.7525370
394.7846 0.9025340
395.2668 0.8382230
395.7489 0.6295050
396.2310 0.4263040
396.7131 0.3190540
397.1952 0.2530440
397.6773 2.7659999E-02
398.1595 0.5473860
398.6416 0.9506490
399.1237 1.161228
399.6058 1.175060
400.0879 0.8460690
400.5700 0.1945610
401.0522 0.3818470
401.5343 0.2898330
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403.9449 1.253937
404.4270 1.503174
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406.3554 0.3167340
406.8376 0.3754690
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407.8018 0.6746860
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408.7660 1.153236
409.2481 1.640816
409.7303 2.051781
410.2124 2.035465
410.6945 1.628124
411.1766 1.378624
411.6587 1.448929
412.1408 1.662598
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413.1051 1.946651
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414.0693 2.703709
414.5514 3.324600
415.0335 3.510685
415.5157 3.186985
415.9978 2.877850
416.4799 2.895817
416.9620 3.214939
417.4441 3.678997
417.9262 4.440090
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419.3726 5.766346
419.8547 5.695076
420.3368 5.302837
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421.3011 4.557373
421.7832 4.536110
422.2653 4.667709
422.7474 5.059860
423.2295 5.535381
423.7116 5.980328
424.1938 6.370384
424.6759 6.690495
425.1580 6.924767
425.6401 7.072689
426.1222 7.168663
426.6043 7.180939
427.0865 7.219723
427.5686 7.275188
428.0507 7.373215
428.5328 7.600826
429.0149 7.987133
429.4970 8.394329
429.9792 8.570118
430.4613 8.383984
430.9434 8.245857
431.4255 8.221241
431.9076 8.174015
432.3897 7.871700
432.8719 7.456833
433.3540 7.396980
433.8361 8.134441
434.3182 9.481796
434.8003 10.10881
435.2824 9.499290
435.7646 8.914379
436.2467 8.601269
436.7288 8.493649
437.2109 8.572365
437.6930 8.840748
438.1751 9.159828
438.6573 9.354877
439.1394 9.390236
439.6215 9.372204
440.1036 9.262604
440.5857 9.115990
441.0678 8.888252
441.5500 8.655479
442.0321 8.657715
442.5142 9.182716
442.9963 9.957592
443.4784 10.53887
443.9605 10.92190
444.4427 11.06721
444.9248 10.71760
445.4069 10.23354
445.8890 10.32622
446.3711 11.30584
446.8532 12.03920
447.3354 11.55172
447.8175 10.37654
448.2996 9.762909
448.7817 10.01707
449.2638 10.64991
449.7459 11.24974
450.2281 11.81199
450.7102 12.02228
451.1923 11.48842
451.6744 10.97057
452.1565 11.12221
452.6386 11.70792
453.1208 11.90614
453.6029 11.23677
454.0850 10.09603
454.5671 9.580948
455.0492 10.38621
455.5313 10.89581
456.0135 10.98823
456.4956 10.84256
456.9777 10.58146
457.4598 10.24324
457.9419 9.838139
458.4240 9.344242
458.9062 8.738377
459.3883 8.265514
459.8704 8.009838
460.3525 7.832573
460.8346 7.832172
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