#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:59:44 +0300 (Thu, 26 Apr 2018) $
#$Revision: 581 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000123.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_1000123
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 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            R110061.rod
_rod_data_source.block           3500000
_rod_database.code               1000123
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
156.2072 0.0000000E+00
156.6893 0.1315310
157.1714 3.521179
157.6535 7.358704
158.1356 9.159912
158.6177 8.969360
159.0999 8.223480
159.5820 8.297150
160.0641 9.346527
160.5462 9.587891
161.0283 7.800690
161.5104 6.040558
161.9926 5.952667
162.4747 7.765961
162.9568 10.44678
163.4389 13.22653
163.9210 16.06155
164.4031 18.24423
164.8853 18.90845
165.3674 19.08142
165.8495 20.25394
166.3316 22.71637
166.8137 26.02057
167.2958 30.24506
167.7780 35.10037
168.2601 39.41364
168.7422 42.33575
169.2243 43.49875
169.7064 46.05475
170.1885 51.97360
170.6707 57.51541
171.1528 60.46130
171.6349 61.14648
172.1170 60.72449
172.5991 60.17416
173.0812 59.56488
173.5634 57.64331
174.0455 53.16150
174.5276 48.25320
175.0097 43.75262
175.4918 39.62906
175.9739 35.45557
176.4561 30.61639
176.9382 24.41144
177.4203 19.62296
177.9024 17.20245
178.3845 15.26944
178.8666 12.88309
179.3488 9.936523
179.8309 6.830719
180.3130 4.011200
180.7951 0.7185060
181.2772 0.1777040
181.7593 3.697327
182.2415 8.120972
182.7236 9.656982
183.2057 7.614014
183.6878 4.121246
184.1699 2.352356
184.6520 3.096954
185.1342 4.359924
185.6163 6.811493
186.0984 9.499054
186.5805 11.05362
187.0626 10.98645
187.5447 10.72269
188.0269 13.18295
188.5090 19.23157
188.9911 24.13318
189.4732 26.41306
189.9553 26.87115
190.4374 27.35257
190.9196 28.78210
191.4017 30.33368
191.8838 31.08548
192.3659 31.21814
192.8480 32.38403
193.3301 35.86545
193.8123 40.14774
194.2944 41.88333
194.7765 39.09311
195.2586 34.78128
195.7407 33.27338
196.2228 34.10995
196.7050 34.97717
197.1871 34.98868
197.6692 34.62018
198.1513 34.18860
198.6334 33.61194
199.1155 33.13693
199.5977 32.77298
200.0798 32.53726
200.5619 32.55966
201.0440 33.26199
201.5261 34.87418
202.0082 35.69495
202.4904 34.52921
202.9725 33.20660
203.4546 32.42868
203.9367 32.36423
204.4188 33.00983
204.9009 34.78262
205.3831 38.66785
205.8652 40.54935
206.3473 38.61182
206.8294 36.08322
207.3115 34.68011
207.7936 34.73041
208.2758 35.58829
208.7579 36.28909
209.2400 36.17029
209.7221 37.39166
210.2042 41.47653
210.6863 45.45468
211.1685 47.37732
211.6506 46.87323
212.1327 44.95523
212.6148 43.00302
213.0969 40.88998
213.5790 39.09088
214.0612 38.36749
214.5433 37.69849
215.0254 36.66925
215.5075 35.15503
215.9896 33.06772
216.4718 30.15021
216.9539 25.46115
217.4360 22.34494
217.9181 22.32974
218.4002 23.16940
218.8823 22.53751
219.3645 19.86819
219.8466 16.41492
220.3287 13.84604
220.8108 12.29657
221.2929 10.74344
221.7750 8.778870
222.2572 6.845764
222.7393 5.716187
223.2214 5.676147
223.7035 5.697937
224.1856 4.207397
224.6677 1.339172
225.1499 1.110229
225.6320 2.517670
226.1141 3.263824
226.5962 3.865387
227.0783 4.300507
227.5604 4.893494
228.0426 6.201782
228.5247 8.032227
229.0068 9.618164
229.4889 10.84058
229.9710 11.58600
230.4531 11.47275
230.9353 10.15402
231.4174 8.602783
231.8995 7.625458
232.3816 7.036743
232.8637 6.334930
233.3458 4.837402
233.8280 2.993958
234.3101 2.477966
234.7922 4.274719
235.2743 5.791992
235.7564 5.462708
236.2385 3.835052
236.7207 1.949860
237.2028 0.1559140
237.6849 1.439941
238.1670 2.327087
238.6491 2.050507
239.1312 1.652039
239.6134 1.690338
240.0955 1.971893
240.5776 2.188202
241.0597 2.065643
241.5418 1.751709
242.0239 2.006256
242.5061 2.934296
242.9882 4.450470
243.4703 6.947510
243.9524 9.866699
244.4345 12.40527
244.9166 14.07529
245.3988 15.05121
245.8809 16.17175
246.3630 18.20038
246.8451 19.29794
247.3272 18.19080
247.8093 16.23914
248.2915 15.19235
248.7736 16.01776
249.2557 18.33307
249.7378 20.63702
250.2199 24.04242
250.7020 25.91531
251.1842 24.94885
251.6663 22.62814
252.1484 20.64001
252.6305 19.79083
253.1126 19.80353
253.5947 19.79889
254.0769 20.42410
254.5590 20.17807
255.0411 18.10983
255.5232 15.47363
256.0053 13.86761
256.4874 13.96252
256.9695 14.82037
257.4517 14.17474
257.9338 9.964844
258.4159 6.625610
258.8980 4.519348
259.3801 3.145020
259.8622 1.950745
260.3444 0.7478030
260.8265 0.2576600
261.3086 0.6433720
261.7907 0.4239500
262.2728 0.7725220
262.7549 0.6825560
263.2371 2.355988
263.7192 2.452301
264.2013 0.5292660
264.6834 2.186554
265.1655 3.865021
265.6476 3.874969
266.1298 4.309906
266.6119 5.867035
267.0940 7.508942
267.5761 8.006836
268.0582 7.173157
268.5403 6.189362
269.0225 6.455261
269.5046 8.309204
269.9867 10.15280
270.4688 12.04053
270.9509 13.84991
271.4330 15.40094
271.9152 16.68585
272.3973 18.01862
272.8794 19.84665
273.3615 22.19775
273.8436 23.63474
274.3257 22.56363
274.8079 21.68362
275.2900 23.46396
275.7721 27.90295
276.2542 32.81281
276.7363 36.67780
277.2184 39.51831
277.7006 42.48645
278.1827 45.40018
278.6648 48.57300
279.1469 52.02637
279.6290 55.80450
280.1111 60.41214
280.5933 66.56342
281.0754 73.70773
281.5575 79.79388
282.0396 83.62039
282.5217 87.67361
283.0038 93.58203
283.4860 101.1739
283.9681 109.5072
284.4502 118.7053
284.9323 127.9070
285.4144 135.4200
285.8965 140.8199
286.3787 145.5062
286.8608 150.5523
287.3429 155.6217
287.8250 159.3783
288.3071 160.9955
288.7892 161.7886
289.2714 163.4219
289.7535 165.7911
290.2356 169.0011
290.7177 173.6358
291.1998 179.2333
291.6819 184.4418
292.1641 188.6841
292.6462 192.6400
293.1283 197.2322
293.6104 202.4832
294.0925 208.1153
294.5746 213.6003
295.0568 219.4285
295.5389 226.5122
296.0210 234.8837
296.5031 244.4633
296.9852 255.5275
297.4673 267.8107
297.9495 281.0165
298.4316 296.1843
298.9137 311.7187
299.3958 324.7487
299.8779 334.6956
300.3600 344.7855
300.8422 358.5104
301.3243 373.6164
301.8064 385.9716
302.2885 394.7874
302.7706 400.5251
303.2527 403.4104
303.7349 403.3706
304.2170 401.8051
304.6991 400.8848
305.1812 397.7800
305.6633 388.2156
306.1454 370.0360
306.6276 349.4131
307.1097 330.8494
307.5918 314.3623
308.0739 299.7575
308.5560 287.7391
309.0381 277.2646
309.5203 267.2589
310.0024 257.7167
310.4845 247.9615
310.9666 236.9889
311.4487 225.2196
311.9308 214.9500
312.4130 207.1802
312.8951 200.3499
313.3772 193.0999
313.8593 185.4768
314.3414 177.9958
314.8235 170.9976
315.3057 164.3118
315.7878 157.1392
316.2699 148.8964
316.7520 141.5274
317.2341 136.9570
317.7162 134.3195
318.1984 131.8963
318.6805 129.2710
319.1626 126.4369
319.6447 122.9424
320.1268 118.3853
320.6089 115.1432
321.0911 116.0449
321.5732 118.7321
322.0553 119.8320
322.5374 117.9074
323.0195 115.3731
323.5016 114.7898
323.9838 116.1639
324.4659 117.6980
324.9480 118.1197
325.4301 118.8717
325.9122 121.9934
326.3943 128.0906
326.8765 134.0403
327.3586 137.2773
327.8407 138.2826
328.3228 139.5178
328.8049 141.1401
329.2870 143.7866
329.7692 148.0350
330.2513 153.7728
330.7334 160.2937
331.2155 168.8377
331.6976 177.7650
332.1797 182.5901
332.6619 181.6479
333.1440 179.9715
333.6261 182.1362
334.1082 186.7776
334.5903 190.8366
335.0724 193.7313
335.5546 195.3708
336.0367 195.2228
336.5188 193.1347
337.0009 190.8706
337.4830 188.9508
337.9651 187.7167
338.4473 188.0346
338.9294 191.4254
339.4115 194.1317
339.8936 192.5780
340.3758 187.2660
340.8579 181.9809
341.3400 178.0266
341.8221 174.8428
342.3042 171.5647
342.7863 168.2025
343.2685 164.6494
343.7506 160.4067
344.2327 155.9454
344.7148 152.6052
345.1969 150.9739
345.6790 149.6847
346.1612 147.3038
346.6433 143.9775
347.1254 139.8550
347.6075 133.7763
348.0896 127.5055
348.5717 123.6254
349.0539 122.4013
349.5360 121.6628
350.0181 120.0929
350.5002 117.6536
350.9823 114.5294
351.4644 109.8240
351.9466 105.2288
352.4287 101.7771
352.9108 99.39780
353.3929 97.70367
353.8750 96.61038
354.3571 96.03244
354.8393 95.81210
355.3214 96.27591
355.8035 96.34146
356.2856 95.38104
356.7677 93.80804
357.2498 92.45288
357.7320 91.60703
358.2141 90.70605
358.6962 88.96027
359.1783 86.33646
359.6604 83.11417
360.1425 78.33432
360.6247 73.55978
361.1068 70.64490
361.5889 69.60272
362.0710 68.59033
362.5531 65.98312
363.0352 61.78857
363.5174 58.29047
363.9995 56.43753
364.4816 54.25946
364.9637 50.33026
365.4458 45.40787
365.9279 41.21164
366.4101 38.65509
366.8922 37.20682
367.3743 35.15295
367.8564 32.29874
368.3385 29.60468
368.8206 26.66061
369.3028 23.82260
369.7849 21.71066
370.2670 20.49347
370.7491 19.57361
371.2312 18.03271
371.7133 15.23895
372.1955 13.80273
372.6776 14.86893
373.1597 16.10303
373.6418 15.87820
374.1239 14.54810
374.6060 12.84830
375.0882 11.13300
375.5703 9.424805
376.0524 9.089417
376.5345 12.15909
377.0166 14.49277
377.4987 14.72278
377.9809 13.73959
378.4630 12.84494
378.9451 12.63696
379.4272 11.56335
379.9093 12.32846
380.3914 10.46286
380.8736 9.373718
381.3557 9.083344
381.8378 9.506256
382.3199 10.95627
382.8020 13.29300
383.2841 15.53616
383.7663 16.37119
384.2484 15.42609
384.7305 15.43814
385.2126 16.44147
385.6947 18.28326
386.1768 21.73557
386.6590 25.90775
387.1411 29.21198
387.6232 30.65070
388.1053 30.64526
388.5874 30.44653
389.0695 29.14655
389.5517 29.51923
390.0338 34.04449
390.5159 39.20764
390.9980 41.14902
391.4801 38.86639
391.9622 35.86902
392.4444 36.89853
392.9265 42.49371
393.4086 47.12930
393.8907 49.80795
394.3728 51.59650
394.8549 52.88712
395.3371 53.79474
395.8192 54.56302
396.3013 55.41461
396.7834 56.24445
397.2655 56.60849
397.7477 56.28549
398.2298 56.10211
398.7119 57.04169
399.1940 58.19409
399.6761 58.18259
400.1582 56.21994
400.6404 54.01318
401.1225 53.55832
401.6046 54.72614
402.0867 55.43777
402.5688 55.02252
403.0509 53.89694
403.5331 52.43762
404.0152 50.63077
404.4973 49.17728
404.9794 48.79810
405.4615 48.85471
405.9436 48.18362
406.4258 46.61078
406.9079 44.72855
407.3900 43.01602
407.8721 41.40796
408.3542 39.55008
408.8363 36.42917
409.3185 33.95120
409.8006 34.28903
410.2827 36.52585
410.7648 37.39389
411.2469 35.28992
411.7290 31.34915
412.2112 28.08829
412.6933 25.85205
413.1754 23.33539
413.6575 19.35211
414.1396 15.49875
414.6217 13.79633
415.1039 14.45535
415.5860 15.66623
416.0681 15.63571
416.5502 14.21735
417.0323 13.08398
417.5144 12.87149
417.9966 12.24234
418.4787 10.02072
418.9608 7.057312
419.4429 5.137421
419.9250 5.235474
420.4071 6.493896
420.8893 6.533112
421.3714 4.617157
421.8535 2.498810
422.3356 0.7905880
422.8177 3.558563
423.2998 3.794647
423.7820 1.689880
424.2641 0.2612920
424.7462 0.8641660
425.2283 5.411469
425.7104 7.987091
426.1925 6.969849
426.6747 5.597321
427.1568 4.339050
427.6389 3.435608
428.1210 3.428864
428.6031 4.783661
429.0852 6.325287
429.5674 4.980621
430.0495 0.7526250
430.5316 3.968994
431.0137 0.3016660
431.4958 5.376465
431.9779 6.669540
432.4601 4.052353
432.9422 1.030762
433.4243 0.2310490
433.9064 1.228470
434.3885 2.321701
434.8706 3.701553
435.3528 4.556702
435.8349 3.812164
436.3170 2.287506
436.7991 1.429611
437.2812 2.160080
437.7633 2.862228
438.2455 1.448517
438.7276 1.672638
439.2097 3.557724
439.6918 2.955063
440.1739 1.028015
440.6560 0.6971740
441.1382 2.282471
441.6203 3.436371
442.1024 4.296951
442.5845 4.562546
443.0666 3.541870
443.5487 1.277878
444.0309 1.004669
444.5130 2.480545
444.9951 3.151733
445.4772 3.213684
445.9593 2.244354
446.4414 1.259094
446.9236 0.1633760
447.4057 0.6405330
447.8878 0.4422610
448.3699 0.9848630
448.8520 3.063934
449.3341 5.018951
449.8163 7.161835
450.2984 8.169174
450.7805 7.060745
451.2626 5.899780
451.7447 5.849319
452.2268 6.674347
452.7090 7.503952
453.1911 7.759354
453.6732 7.563660
454.1553 7.448822
454.6374 7.613602
455.1195 7.501266
455.6017 6.511597
456.0838 5.570007
456.5659 5.518906
457.0480 6.480042
457.5301 7.886063
458.0122 9.366974
458.4944 10.91423
458.9765 11.75746
459.4586 11.17128
459.9407 10.94812
460.4228 12.28607
460.9049 14.53343
461.3871 16.56970
461.8692 18.05453
462.3513 19.08846
462.8334 19.93723
463.3155 20.57155
463.7976 20.08240
464.2798 17.19092
464.7619 14.25740
465.2440 14.94868
465.7261 19.35789
466.2082 22.25194
466.6903 20.31392
467.1725 16.75897
467.6546 15.48215
468.1367 16.73251
468.6188 18.89943
469.1009 21.22519
469.5830 23.49646
470.0652 24.70146
470.5473 23.64078
471.0294 23.16609
471.5115 24.74785
471.9936 27.00630
472.4757 28.01456
472.9579 27.34781
473.4400 26.25385
473.9221 26.21596
474.4042 27.41226
474.8863 28.63069
475.3684 29.89557
475.8506 31.21518
476.3327 32.65271
476.8148 34.06570
477.2969 35.22369
477.7790 36.01631
478.2611 36.45892
478.7433 36.43130
479.2254 35.53293
479.7075 35.33327
480.1896 36.31580
480.6717 37.64536
481.1538 39.29391
481.6360 41.20915
482.1181 42.92169
482.6002 44.04758
483.0823 44.47003
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