#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:49:44 +0300 (Thu, 24 May 2018) $
#$Revision: 806 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000299.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_1000299
loop_
_publ_author_name
'Bao, R. L.'
'Kong, Z. P.'
'Cu, M.'
'Yue, B.'
'Weng, L. H.'
'He, H. Y.'
_publ_section_title
;
 Hydrothermal synthesis and thermal stability of natural mineral
 lindgrenite Note: atomic coordinates transformed to standard setting
;
_journal_name_full               'Chemical Research in Chinese Universities'
_journal_page_first              679
_journal_page_last               683
_journal_paper_doi               10.1016/S1005-9040(06)60189-X
_journal_volume                  22
_journal_year                    2006
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu3 H2 Mo2 O10'
_chemical_name_mineral           Lindgrenite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.535
_cell_angle_gamma                90
_cell_length_a                   5.3867
_cell_length_b                   14.001
_cell_length_c                   5.6010
_cell_volume                     417.745
_exptl_crystal_density_diffrn    4.329
_cod_original_formula_sum        'Mo2 Cu3 O10 H2'
_cod_database_code               9016010
_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            R110061.rod
_rod_data_source.block           3500000
_rod_database.code               1000299
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 9016010 COD http://www.crystallography.net/cod/9016010.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
158.4706 0.0000000E+00
158.9528 2.0812999E-02
159.4349 0.3451540
159.9170 0.3855510
160.3991 0.1042630
160.8812 1.995125
161.3633 5.236000
161.8455 8.082893
162.3276 9.688400
162.8097 10.79220
163.2918 11.88759
163.7739 12.86391
164.2560 14.05186
164.7382 15.40394
165.2203 17.00291
165.7024 19.20692
166.1845 22.39481
166.6666 26.17110
167.1487 30.07990
167.6309 33.18883
168.1130 37.30053
168.5951 43.79204
169.0772 52.43304
169.5593 61.68596
170.0414 70.01764
170.5236 78.65799
171.0057 88.96263
171.4878 102.0823
171.9699 116.6427
172.4520 132.2703
172.9341 148.8539
173.4163 164.0770
173.8984 176.9948
174.3805 187.4270
174.8626 194.7679
175.3447 199.8596
175.8268 201.4236
176.3090 197.4121
176.7911 187.8492
177.2732 175.2787
177.7553 159.2059
178.2374 140.6162
178.7195 122.9912
179.2017 107.4745
179.6838 93.71173
180.1659 81.57382
180.6480 70.90997
181.1301 61.61942
181.6122 53.50422
182.0944 46.50355
182.5765 40.63614
183.0586 35.96284
183.5407 32.36015
184.0228 29.40751
184.5049 27.12515
184.9871 25.39493
185.4692 24.23241
185.9513 23.56348
186.4334 23.12045
186.9155 22.72378
187.3976 22.43568
187.8798 22.48606
188.3619 22.89816
188.8440 23.56247
189.3261 24.26237
189.8082 25.02032
190.2903 26.09483
190.7725 27.64030
191.2546 29.63935
191.7367 31.99895
192.2188 34.87384
192.7009 37.72649
193.1830 39.59081
193.6652 40.46643
194.1473 40.93877
194.6294 41.52975
195.1115 42.33060
195.5936 42.84966
196.0757 43.14818
196.5579 43.49889
197.0400 43.86789
197.5221 44.25708
198.0042 44.75291
198.4863 45.36368
198.9684 46.05106
199.4506 46.83409
199.9327 47.63638
200.4148 48.76605
200.8969 50.81786
201.3790 53.83584
201.8611 56.94128
202.3433 59.83503
202.8254 62.55707
203.3075 65.14449
203.7896 67.61304
204.2717 69.90947
204.7538 71.75027
205.2360 72.98950
205.7181 74.30369
206.2002 76.32797
206.6823 79.30779
207.1644 81.35946
207.6465 82.21103
208.1287 82.10751
208.6108 81.71364
209.0929 80.93590
209.5750 80.11977
210.0571 79.52853
210.5392 79.07625
211.0214 78.87035
211.5035 78.89295
211.9856 79.28286
212.4677 80.57339
212.9498 83.06826
213.4319 85.88126
213.9140 88.57018
214.3962 91.22523
214.8783 93.91549
215.3604 96.90581
215.8425 99.89978
216.3246 101.6334
216.8067 102.2700
217.2889 101.5164
217.7710 99.01369
218.2531 94.28068
218.7352 89.21786
219.2173 83.99310
219.6994 78.48348
220.1816 72.31242
220.6637 64.93305
221.1458 57.65726
221.6279 51.42633
222.1100 46.52808
222.5921 41.75775
223.0743 36.91710
223.5564 32.12313
224.0385 27.64565
224.5206 23.43906
225.0027 19.76443
225.4848 16.85616
225.9670 14.99736
226.4491 13.28238
226.9312 11.65432
227.4133 10.11936
227.8954 8.640358
228.3775 7.298141
228.8597 5.934113
229.3418 4.431976
229.8239 2.632874
230.3060 1.055267
230.7881 0.3057100
231.2702 1.424500
231.7524 2.055969
232.2345 1.878242
232.7166 1.667465
233.1987 1.936493
233.6808 3.083649
234.1629 3.822716
234.6451 3.960472
235.1272 3.625610
235.6093 3.364243
236.0914 3.148026
236.5735 3.043648
237.0556 3.105125
237.5378 3.424683
238.0199 3.714081
238.5020 4.005127
238.9841 4.255013
239.4662 4.264015
239.9483 3.871742
240.4305 3.451790
240.9126 3.226685
241.3947 3.395042
241.8768 3.317123
242.3589 2.946968
242.8410 2.316002
243.3232 1.494804
243.8053 0.3875580
244.2874 0.7736280
244.7695 1.895912
245.2516 3.123978
245.7337 3.970596
246.2159 4.171951
246.6980 4.013451
247.1801 4.411835
247.6622 5.547112
248.1443 6.969345
248.6264 8.467834
249.1086 10.06348
249.5907 11.70243
250.0728 13.36720
250.5549 15.07958
251.0370 16.95901
251.5191 19.30950
252.0013 21.35487
252.4834 22.76910
252.9655 23.41487
253.4476 23.73400
253.9297 23.62534
254.4118 23.23581
254.8940 22.99446
255.3761 23.33766
255.8582 23.05200
256.3403 21.45837
256.8224 18.00180
257.3046 15.10564
257.7867 12.97240
258.2688 11.29046
258.7509 9.464020
259.2330 7.406227
259.7151 5.412567
260.1973 3.508110
260.6794 1.612030
261.1615 0.3400570
261.6436 8.9988999E-02
262.1257 7.4492998E-02
262.6078 0.2393340
263.0900 0.5765080
263.5721 1.117561
264.0542 2.008835
264.5363 3.405060
265.0184 4.098953
265.5005 3.902451
265.9827 3.237160
266.4648 2.683891
266.9469 2.288887
267.4290 1.883766
267.9111 1.405319
268.3932 0.8517840
268.8754 0.3616030
269.3575 4.9605999E-02
269.8396 0.3658370
270.3217 1.344139
270.8038 3.077866
271.2859 4.603546
271.7681 5.615196
272.2502 6.123085
272.7323 6.531883
273.2144 6.745888
273.6965 7.032021
274.1786 7.713326
274.6608 8.866524
275.1429 10.04232
275.6250 11.11230
276.1071 12.10047
276.5892 13.20981
277.0714 14.37997
277.5535 15.78564
278.0356 17.58018
278.5177 19.76932
278.9998 22.29770
279.4819 25.22694
279.9641 28.48020
280.4462 31.48923
280.9283 34.14937
281.4104 37.05656
281.8925 40.65237
282.3746 44.93423
282.8568 49.95004
283.3389 55.79800
283.8210 62.31363
284.3031 69.08891
284.7852 76.16404
285.2673 83.42648
285.7495 90.87669
286.2316 98.51984
286.7137 106.5298
287.1958 115.2353
287.6779 123.8715
288.1600 131.0088
288.6422 136.6277
289.1243 140.8134
289.6064 143.1726
290.0885 144.0265
290.5706 144.5628
291.0527 144.7960
291.5349 144.8071
292.0170 144.7314
292.4991 144.6163
292.9812 144.7195
293.4633 144.6724
293.9454 144.8812
294.4276 146.8619
294.9097 150.8413
295.3918 155.7619
295.8739 159.8525
296.3560 163.4995
296.8381 168.7700
297.3203 177.0036
297.8024 187.4232
298.2845 198.1992
298.7666 209.2067
299.2487 221.8729
299.7308 238.7460
300.2130 258.8467
300.6951 279.0445
301.1772 298.4779
301.6593 317.0789
302.1414 335.2725
302.6235 352.8570
303.1057 369.0602
303.5878 385.2228
304.0699 399.2283
304.5520 406.8267
305.0341 406.2215
305.5162 399.0847
305.9984 385.6138
306.4805 366.4217
306.9626 344.7890
307.4447 321.0624
307.9268 296.9396
308.4089 274.8503
308.8911 255.0487
309.3732 237.9658
309.8553 224.2216
310.3374 213.6006
310.8195 205.1338
311.3016 199.8002
311.7838 195.7286
312.2659 191.1755
312.7480 185.6337
313.2301 180.0497
313.7122 175.4138
314.1943 171.0925
314.6765 165.8495
315.1586 158.9232
315.6407 151.0731
316.1228 142.5728
316.6049 133.3979
317.0870 124.0067
317.5692 114.3761
318.0513 104.7719
318.5334 95.62425
319.0155 86.57124
319.4976 78.38063
319.9797 71.48283
320.4619 65.91240
320.9440 61.33334
321.4261 58.03729
321.9082 55.52164
322.3903 53.31769
322.8724 50.96481
323.3546 49.40410
323.8367 49.04236
324.3188 49.84277
324.8009 50.98746
325.2830 52.19226
325.7651 53.79189
326.2473 56.00211
326.7294 59.91296
327.2115 63.18768
327.6936 64.90245
328.1757 65.52850
328.6578 67.52623
329.1400 71.81317
329.6221 76.73653
330.1042 81.66087
330.5863 86.60681
331.0684 91.51489
331.5505 95.83095
332.0327 100.1796
332.5148 105.9838
332.9969 114.2390
333.4790 122.6302
333.9611 130.4597
334.4432 137.5189
334.9254 144.9065
335.4075 152.9340
335.8896 160.9252
336.3717 167.8266
336.8538 173.1185
337.3359 178.4720
337.8180 184.7097
338.3001 191.7666
338.7823 196.5787
339.2644 198.8091
339.7465 199.3953
340.2286 198.9836
340.7107 197.4428
341.1928 195.8180
341.6750 194.5763
342.1571 193.3453
342.6392 190.4660
343.1213 185.6540
343.6034 180.5999
344.0855 176.4624
344.5677 173.2430
345.0498 170.1288
345.5319 167.1178
346.0140 164.0598
346.4961 160.6523
346.9782 156.9179
347.4604 153.0056
347.9425 148.7733
348.4246 144.4014
348.9067 140.8243
349.3888 138.1954
349.8709 135.8360
350.3531 133.0245
350.8352 129.8086
351.3173 126.3827
351.7994 122.5142
352.2815 118.5592
352.7636 114.9463
353.2458 111.6745
353.7279 109.0329
354.2100 107.3841
354.6921 106.5118
355.1742 106.0643
355.6563 106.0604
356.1385 106.2874
356.6206 106.5362
357.1027 106.8314
357.5848 107.2909
358.0669 108.0863
358.5490 109.0308
359.0312 109.9975
359.5133 111.0990
359.9954 111.9281
360.4775 112.3262
360.9596 112.2863
361.4417 111.7940
361.9239 111.0032
362.4060 109.6445
362.8881 107.6540
363.3702 105.0912
363.8523 101.5456
364.3344 96.36743
364.8166 90.31731
365.2987 84.21045
365.7808 78.30795
366.2629 72.46468
366.7450 66.62508
367.2271 60.78885
367.7093 55.10645
368.1914 49.48634
368.6735 44.08945
369.1556 38.97762
369.6377 33.92438
370.1198 29.58739
370.6020 26.03636
371.0841 23.22398
371.5662 21.04312
372.0483 20.19620
372.5304 19.15497
373.0125 17.15135
373.4947 13.57521
373.9768 10.86955
374.4589 9.323898
374.9410 8.408524
375.4231 7.214767
375.9052 5.499557
376.3874 4.121033
376.8695 3.518448
377.3516 3.675476
377.8337 3.355362
378.3158 2.399567
378.7979 1.301422
379.2801 0.5514680
379.7622 0.1474760
380.2443 0.1203310
380.7264 0.3431240
381.2085 0.4177780
381.6906 2.6860000E-03
382.1728 0.9157100
382.6549 1.907387
383.1370 2.662506
383.6191 3.269089
384.1012 3.987167
384.5833 4.834686
385.0655 5.960381
385.5476 7.678635
386.0297 9.821396
386.5118 11.85363
386.9939 13.31042
387.4760 14.63898
387.9582 16.52238
388.4403 18.96696
388.9224 21.58043
389.4045 24.08552
389.8866 26.58085
390.3687 29.15797
390.8509 31.64973
391.3330 34.28534
391.8151 37.51295
392.2972 41.18803
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393.2614 46.78562
393.7436 48.89701
394.2257 51.83273
394.7078 56.02309
395.1899 60.33726
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398.0826 84.34891
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400.0111 96.08814
400.4932 98.61070
400.9753 101.8484
401.4574 104.3919
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402.4217 107.0329
402.9038 107.1434
403.3859 105.9293
403.8680 104.6708
404.3501 104.0930
404.8322 104.5904
405.3144 104.3828
405.7965 103.3153
406.2786 101.7317
406.7607 100.0880
407.2428 98.33620
407.7249 96.80101
408.2071 95.71240
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411.5819 87.06267
412.0640 85.22831
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413.0282 79.90508
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413.9925 72.65266
414.4746 69.48661
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415.4388 63.31693
415.9209 59.86183
416.4030 56.33144
416.8852 52.74692
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417.8494 45.73628
418.3315 42.66457
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419.2957 35.68452
419.7779 31.34648
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420.7421 25.52092
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423.1527 14.37862
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426.0454 6.257645
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449.6691 0.1459500
450.1512 0.1598740
450.6333 0.4721980
451.1154 0.9107820
451.5976 1.374168
452.0797 1.967712
452.5618 2.199348
453.0439 1.853859
453.5260 1.173218
454.0081 0.8852840
454.4903 1.028328
454.9724 1.311447
455.4545 1.628654
455.9366 1.964676
456.4187 2.214447
456.9008 2.369232
457.3830 2.460365
457.8651 2.441589
458.3472 2.373268
458.8293 2.466949
459.3114 2.830536
459.7935 3.345016
460.2757 3.952309
460.7578 4.614220
461.2399 5.152298
461.7220 5.296501
462.2041 5.352463
462.6862 5.675209
463.1684 6.407623
463.6505 6.989395
464.1326 6.959053
464.6147 6.659325
465.0968 6.530128
465.5789 6.766251
466.0611 7.134506
466.5432 7.632019
467.0253 8.239639
467.5074 8.777328
467.9895 9.012024
468.4716 9.346992
468.9538 10.00991
469.4359 11.29123
469.9180 12.24572
470.4001 12.79812
470.8822 13.08110
471.3643 13.24199
471.8465 13.17080
472.3286 13.30570
472.8107 13.83022
473.2928 14.65592
473.7749 15.24013
474.2570 15.51286
474.7392 15.89867
475.2213 16.85235
475.7034 18.26659
476.1855 19.38155
476.6676 20.07903
477.1497 20.60512
477.6319 21.19278
478.1140 21.86306
478.5961 22.67918
479.0782 23.67811
479.5603 24.83208
480.0424 26.12493
480.5246 27.55762
481.0067 29.08865
481.4888 31.03931
481.9709 32.88479
482.4530 34.00494
482.9352 33.81219
483.4173 34.06955
483.8994 35.88537
484.3815 38.50067
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