#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:50:32 +0300 (Thu, 24 May 2018) $
#$Revision: 820 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000310.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_1000310
loop_
_publ_author_name
'Rastsvetaeva, R. K.'
'Chukanov, N. V.'
'Pekov, I. V.'
'Shlyukova, Z. V.'
'Khomyakov, A. P.'
_publ_section_title
;
 Structures of two potassium-rich labuntsovites in relation to the crystal
 chemistry of minerals of the labuntsovite-nenadkevichite family Sample: I
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              820
_journal_page_last               827
_journal_volume                  43
_journal_year                    1998
_chemical_compound_source        R110169
_chemical_formula_sum            'H15.68 K3.4 Mn0.2 Na2 Nb0.8 O32.4 Si8 Ti3.2'
_chemical_name_mineral           Labuntsovite-Mn
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.9
_cell_angle_gamma                90
_cell_length_a                   14.42
_cell_length_b                   13.91
_cell_length_c                   7.8
_cell_volume                     1395.254
_exptl_crystal_density_diffrn    2.800
_cod_original_formula_sum        'Na2 K3.4 (Ti3.2 Nb.8) Mn.2 Si8 O32.4 H15.68'
_cod_database_code               9012633
_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            R110169.rod
_rod_data_source.block           3500000
_rod_database.code               1000310
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 9012633 COD http://www.crystallography.net/cod/9012633.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
177.2732 0.0000000E+00
177.7553 1.269745
178.2374 2.046021
178.7195 2.617096
179.2017 3.902496
179.6838 4.674408
180.1659 3.922974
180.6480 3.370880
181.1301 2.042450
181.6122 1.669586
182.0944 2.513702
182.5765 2.929688
183.0586 1.671783
183.5407 0.4139100
184.0228 1.401337
184.5049 1.168518
184.9871 0.4623110
185.4692 0.1529850
185.9513 0.1647030
186.4334 0.1495060
186.9155 4.8096001E-02
187.3976 0.3947140
187.8798 0.8110350
188.3619 1.272034
188.8440 1.827301
189.3261 2.471436
189.8082 3.221619
190.2903 4.186340
190.7725 5.734680
191.2546 7.695007
191.7367 8.737732
192.2188 8.642120
192.7009 8.080963
193.1830 8.087616
193.6652 8.653503
194.1473 9.461884
194.6294 10.42456
195.1115 11.51993
195.5936 12.43091
196.0757 13.03745
196.5579 13.62228
197.0400 14.87946
197.5221 16.88394
198.0042 18.74792
198.4863 20.05832
198.9684 20.80878
199.4506 21.00082
199.9327 20.39474
200.4148 19.53134
200.8969 19.71072
201.3790 21.10873
201.8611 22.64090
202.3433 23.57803
202.8254 23.83798
203.3075 24.57715
203.7896 26.02621
204.2717 27.85577
204.7538 29.07147
205.2360 29.44131
205.7181 30.02496
206.2002 31.68405
206.6823 34.67966
207.1644 36.89557
207.6465 37.99658
208.1287 38.29578
208.6108 38.64551
209.0929 38.90891
209.5750 39.58649
210.0571 41.18430
210.5392 44.03479
211.0214 46.29596
211.5035 47.79282
211.9856 48.61008
212.4677 49.00571
212.9498 48.85220
213.4319 48.59610
213.9140 48.52524
214.3962 48.71542
214.8783 48.84631
215.3604 48.85406
215.8425 48.79251
216.3246 48.92468
216.8067 49.44733
217.2889 49.78671
217.7710 49.50620
218.2531 48.30566
218.7352 47.39197
219.2173 47.06342
219.6994 47.08252
220.1816 46.25116
220.6637 44.00211
221.1458 41.83926
221.6279 40.88043
222.1100 41.83524
222.5921 42.07602
223.0743 41.28357
223.5564 39.62198
224.0385 37.70352
224.5206 35.29904
225.0027 33.07977
225.4848 31.48395
225.9670 30.70135
226.4491 30.16647
226.9312 30.00766
227.4133 30.08878
227.8954 29.69110
228.3775 28.64172
228.8597 27.38782
229.3418 26.22116
229.8239 25.26556
230.3060 24.06622
230.7881 22.33163
231.2702 20.28406
231.7524 19.11963
232.2345 19.17822
232.7166 19.62808
233.1987 20.06256
233.6808 20.68130
234.1629 20.79727
234.6451 20.17606
235.1272 18.66815
235.6093 17.38589
236.0914 16.34579
236.5735 15.50009
237.0556 14.82364
237.5378 14.32120
238.0199 14.02679
238.5020 14.13525
238.9841 14.45920
239.4662 14.20636
239.9483 13.04401
240.4305 11.79614
240.9126 10.92502
241.3947 10.66553
241.8768 10.18930
242.3589 9.501495
242.8410 8.639191
243.3232 7.603302
243.8053 6.165894
244.2874 4.845764
244.7695 3.902435
245.2516 3.352020
245.7337 3.121704
246.2159 3.393951
246.6980 3.947571
247.1801 4.058990
247.6622 3.495544
248.1443 2.827209
248.6264 2.281952
249.1086 1.739288
249.5907 1.607391
250.0728 2.023071
250.5549 2.819183
251.0370 3.515717
251.5191 3.909973
252.0013 4.543121
252.4834 5.862762
252.9655 8.651184
253.4476 9.939850
253.9297 8.856567
254.4118 6.670502
254.8940 6.335846
255.3761 8.800232
255.8582 11.44052
256.3403 13.02756
256.8224 12.96521
257.3046 13.87573
257.7867 16.25003
258.2688 19.26312
258.7509 21.20483
259.2330 21.49570
259.7151 21.84671
260.1973 22.93042
260.6794 24.87625
261.1615 26.89703
261.6436 28.96915
262.1257 31.11938
262.6078 33.48953
263.0900 36.33557
263.5721 38.76279
264.0542 40.29398
264.5363 40.74518
265.0184 41.72693
265.5005 43.44159
265.9827 45.47589
266.4648 47.18457
266.9469 48.33572
267.4290 49.83170
267.9111 52.12350
268.3932 55.28027
268.8754 57.84781
269.3575 59.64157
269.8396 61.11029
270.3217 62.75491
270.8038 64.56226
271.2859 66.57239
271.7681 69.01105
272.2502 71.82120
272.7323 73.47202
273.2144 73.60007
273.6965 73.25427
274.1786 73.62857
274.6608 74.90097
275.1429 75.90384
275.6250 76.20245
276.1071 75.94708
276.5892 76.35599
277.0714 77.59808
277.5535 79.02887
278.0356 80.10565
278.5177 80.82083
278.9998 81.14716
279.4819 80.75998
279.9641 80.03455
280.4462 80.96149
280.9283 83.90839
281.4104 86.92645
281.8925 88.27655
282.3746 87.93600
282.8568 87.73862
283.3389 87.87164
283.8210 88.44031
284.3031 90.05457
284.7852 92.88309
285.2673 95.46191
285.7495 96.36530
286.2316 95.78076
286.7137 96.18845
287.1958 98.14874
287.6779 100.8932
288.1600 102.6886
288.6422 103.5139
289.1243 104.6100
289.6064 106.8040
290.0885 109.9462
290.5706 113.4013
291.0527 117.2841
291.5349 121.0012
292.0170 123.3538
292.4991 124.4347
292.9812 125.5513
293.4633 127.5704
293.9454 130.1878
294.4276 132.3522
294.9097 133.9101
295.3918 135.3879
295.8739 137.6222
296.3560 140.4250
296.8381 142.9790
297.3203 144.5338
297.8024 145.6211
298.2845 147.4114
298.7666 149.9796
299.2487 152.7911
299.7308 155.5058
300.2130 158.0832
300.6951 160.3683
301.1772 161.9923
301.6593 163.4354
302.1414 165.5143
302.6235 168.2002
303.1057 170.9058
303.5878 173.0787
304.0699 174.9198
304.5520 176.8120
305.0341 179.3498
305.5162 181.5618
305.9984 182.2505
306.4805 181.5664
306.9626 180.5343
307.4447 179.7966
307.9268 179.1508
308.4089 178.3809
308.8911 177.5201
309.3732 176.3846
309.8553 174.8257
310.3374 172.9226
310.8195 170.7908
311.3016 168.2686
311.7838 165.7497
312.2659 163.7030
312.7480 162.3722
313.2301 160.8016
313.7122 158.5392
314.1943 155.6102
314.6765 152.1159
315.1586 147.4388
315.6407 142.6743
316.1228 138.4234
316.6049 134.7897
317.0870 131.4543
317.5692 128.4403
318.0513 125.6513
318.5334 122.9837
319.0155 120.5051
319.4976 117.9934
319.9797 115.3509
320.4619 112.5836
320.9440 109.8507
321.4261 107.1628
321.9082 104.4839
322.3903 101.7877
322.8724 98.91577
323.3546 96.38937
323.8367 94.55951
324.3188 93.33679
324.8009 91.80908
325.2830 89.47839
325.7651 87.14920
326.2473 85.35840
326.7294 84.46750
327.2115 83.64679
327.6936 82.85635
328.1757 82.09866
328.6578 81.25403
329.1400 79.91907
329.6221 78.77954
330.1042 78.12158
330.5863 78.26685
331.0684 78.39099
331.5505 78.35370
332.0327 78.37854
332.5148 78.91916
332.9969 80.20496
333.4790 81.62326
333.9611 83.01788
334.4432 84.41733
334.9254 85.72464
335.4075 87.03928
335.8896 88.16339
336.3717 88.62299
336.8538 87.78326
337.3359 87.86118
337.8180 89.89117
338.3001 93.81760
338.7823 96.21802
339.2644 96.71716
339.7465 96.41995
340.2286 96.35852
340.7107 96.60944
341.1928 96.68088
341.6750 96.36713
342.1571 95.85455
342.6392 96.11435
343.1213 97.33853
343.6034 98.32370
344.0855 98.01816
344.5677 96.48669
345.0498 95.12607
345.5319 94.15384
346.0140 93.36115
346.4961 92.36591
346.9782 91.17935
347.4604 89.89920
347.9425 88.33115
348.4246 86.67776
348.9067 85.94501
349.3888 86.33902
349.8709 86.88678
350.3531 86.31332
350.8352 84.85895
351.3173 83.42572
351.7994 82.27667
352.2815 81.41394
352.7636 80.95329
353.2458 80.89008
353.7279 80.78943
354.2100 80.44803
354.6921 79.79013
355.1742 78.66315
355.6563 76.71854
356.1385 74.58017
356.6206 73.18253
357.1027 72.25816
357.5848 70.54810
358.0669 66.46260
358.5490 61.63446
359.0312 57.71838
359.5133 55.38338
359.9954 53.11172
360.4775 50.03267
360.9596 46.36243
361.4417 42.62006
361.9239 38.47685
362.4060 34.69421
362.8881 31.83026
363.3702 30.11447
363.8523 28.38736
364.3344 26.40039
364.8166 24.15994
365.2987 21.64926
365.7808 18.76315
366.2629 15.78496
366.7450 12.62369
367.2271 9.288193
367.7093 6.436295
368.1914 4.566147
368.6735 2.931900
369.1556 1.023987
369.6377 2.176682
370.1198 4.327240
370.6020 4.739731
371.0841 3.957474
371.5662 3.961395
372.0483 5.221298
372.5304 6.698059
373.0125 8.048172
373.4947 9.408951
373.9768 10.17860
374.4589 10.12596
374.9410 9.679443
375.4231 9.558655
375.9052 9.933075
376.3874 10.13824
376.8695 9.893723
377.3516 9.209671
377.8337 8.885895
378.3158 9.099701
378.7979 9.162872
379.2801 8.086731
379.7622 5.772629
380.2443 4.312149
380.7264 4.359360
381.2085 5.291641
381.6906 5.300949
382.1728 4.368271
382.6549 3.600677
383.1370 4.040665
383.6191 5.342728
384.1012 6.104660
384.5833 6.149384
385.0655 5.797394
385.5476 5.484421
386.0297 5.146225
386.5118 4.559357
386.9939 3.408569
387.4760 2.019730
387.9582 0.7910460
388.4403 0.2824710
388.9224 1.100433
389.4045 1.286728
389.8866 1.238998
390.3687 1.533356
390.8509 2.550476
391.3330 3.761093
391.8151 4.864761
392.2972 5.871033
392.7793 6.834351
393.2614 7.717636
393.7436 8.602768
394.2257 9.568390
394.7078 10.62383
395.1899 11.74551
395.6720 12.92726
396.1541 14.16560
396.6363 15.45706
397.1184 16.96021
397.6005 18.36453
398.0826 19.50964
398.5647 20.34619
399.0468 21.28613
399.5290 22.72037
400.0111 24.07422
400.4932 24.88016
400.9753 24.54910
401.4574 24.46794
401.9395 24.86719
402.4217 25.63361
402.9038 26.24178
403.3859 26.75798
403.8680 27.02121
404.3501 26.88300
404.8322 26.15811
405.3144 25.66606
405.7965 25.40448
406.2786 25.37961
406.7607 25.79855
407.2428 26.84517
407.7249 27.30353
408.2071 26.56688
408.6892 24.85196
409.1713 23.49130
409.6534 22.48830
410.1355 21.80063
410.6176 21.41974
411.0998 21.32672
411.5819 21.41547
412.0640 21.63910
412.5461 22.07956
413.0282 23.12370
413.5103 24.63597
413.9925 25.85242
414.4746 25.95927
414.9567 25.62126
415.4388 25.89648
415.9209 26.91222
416.4030 28.17462
416.8852 29.23943
417.3673 30.29387
417.8494 31.64316
418.3315 33.83127
418.8136 36.01883
419.2957 37.57672
419.7779 38.59525
420.2600 39.78537
420.7421 41.14397
421.2242 42.99872
421.7063 45.63498
422.1884 49.73389
422.6706 53.51010
423.1527 56.07553
423.6348 58.10663
424.1169 60.88254
424.5990 65.46878
425.0811 69.99738
425.5633 73.83936
426.0454 76.88226
426.5275 79.94727
427.0096 83.08652
427.4917 86.07196
427.9738 88.80765
428.4560 90.99850
428.9381 94.01089
429.4202 98.37869
429.9023 103.3850
430.3844 106.8712
430.8665 108.2271
431.3487 109.7524
431.8308 113.0201
432.3129 118.2101
432.7950 121.9863
433.2771 123.9052
433.7592 125.3708
434.2414 128.4658
434.7235 133.0856
435.2056 137.6543
435.6877 141.7755
436.1698 145.3703
436.6519 148.1005
437.1341 150.1032
437.6162 152.5328
438.0983 156.6885
438.5804 161.5741
439.0625 165.5331
439.5446 168.2466
440.0268 170.5199
440.5089 172.6358
440.9910 174.7401
441.4731 177.1760
441.9552 180.7736
442.4373 184.3825
442.9195 187.3982
443.4016 189.7861
443.8837 191.6292
444.3658 192.9715
444.8479 193.8317
445.3300 194.1718
445.8122 193.4592
446.2943 192.8854
446.7764 192.9237
447.2585 193.1964
447.7406 192.8260
448.2227 191.6126
448.7049 189.9423
449.1870 187.9875
449.6691 185.8742
450.1512 182.7120
450.6333 178.2976
451.1154 173.1019
451.5976 167.4592
452.0797 161.2714
452.5618 155.2038
453.0439 149.4632
453.5260 143.8904
454.0081 137.5686
454.4903 130.3793
454.9724 123.0752
455.4545 115.9154
455.9366 108.9531
456.4187 102.0405
456.9008 95.17294
457.3830 88.61719
457.8651 82.96307
458.3472 77.99182
458.8293 73.27347
459.3114 68.56696
459.7935 64.07556
460.2757 59.89957
460.7578 56.07745
461.2399 52.72089
461.7220 50.27148
462.2041 48.11075
462.6862 45.49146
463.1684 42.06561
463.6505 39.31775
464.1326 38.35193
464.6147 38.44455
465.0968 38.65576
465.5789 38.65176
466.0611 38.79123
466.5432 38.96530
467.0253 39.25082
467.5074 40.38342
467.9895 43.15546
468.4716 46.23486
468.9538 48.88889
469.4359 50.33972
469.9180 53.00903
470.4001 57.23193
470.8822 62.46744
471.3643 67.97339
471.8465 73.75861
472.3286 79.76526
472.8107 85.96112
473.2928 92.30243
473.7749 99.14572
474.2570 106.5011
474.7392 114.1118
475.2213 121.6872
475.7034 129.2995
476.1855 137.5591
476.6676 146.6532
477.1497 156.0251
477.6319 164.6663
478.1140 172.8544
478.5961 181.3694
479.0782 190.6848
479.5603 200.4265
480.0424 210.0566
480.5246 219.6810
481.0067 229.7809
481.4888 240.5193
481.9709 251.9335
482.4530 264.1124
482.9352 277.3287
483.4173 290.6499
483.8994 303.6230
484.3815 316.5340
484.8636 329.6845
485.3457 344.1515
485.8279 357.7827
486.3100 369.7776
486.7921 380.1521
487.2742 390.5340
487.7563 402.5760
488.2384 413.0900
488.7206 420.3877
489.2027 424.5544
489.6848 425.3326
490.1669 422.6616
490.6490 416.6733
491.1311 407.2548
491.6133 394.3417
492.0954 379.0384
492.5775 361.4805
493.0596 341.8059
493.5417 319.6985
494.0238 295.2108
494.5060 270.4615
494.9881 246.4205
495.4702 223.4953
495.9523 201.9516
496.4344 181.8906
496.9165 163.5614
497.3987 147.7283
497.8808 133.6957
498.3629 120.4756
498.8450 107.4983
499.3271 95.29803
499.8092 84.46414
500.2914 74.78354
500.7735 65.97491
501.2556 57.45847
501.7377 49.89307
502.2198 43.79184
502.7019 39.62003
503.1841 35.66898
503.6662 31.50873
504.1483 27.54919
504.6304 24.31735
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