#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:35:58 +0300 (Thu, 26 Apr 2018) $
#$Revision: 492 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000047.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_1000047
loop_
_publ_author_name
'Kampf, A. R.'
'Mills, S. J.'
'Rumsey, M. S.'
'Dini, M.'
'Birch, W. D.'
'Spratt, J.'
'Pluth, J. J.'
'Steele, I. M.'
'Jenkins, R. A.'
'Pinch, W. W.'
_publ_section_title
;
 The heteropolymolybdate family: structural relations, nomenclature scheme
 and new species
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              1175
_journal_page_last               1207
_journal_paper_doi               10.1180/minmag.2012.076.5.09
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source        'Tsumeb, Namibia'
_chemical_formula_sum
'As2 Ca1.928 Fe3 H48.352 Mg Mo8 Na0.072 O61.176'
_chemical_name_mineral           Betpakdalite-CaMg
_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                 131.528
_cell_angle_gamma                90
_cell_length_a                   19.5336
_cell_length_b                   11.0637
_cell_length_c                   15.2559
_cell_volume                     2468.248
_exptl_crystal_density_diffrn    2.981
_cod_original_formula_sum
'Ca1.928 Na.072 Mg Mo8 As2 Fe3 O61.176 H48.352'
_cod_database_code               9014542
_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            R060242.rod
_rod_data_source.block           3500000
_rod_database.code               1000047
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 9014542 COD http://www.crystallography.net/cod/9014542.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
140.3569 0.0000000E+00
140.8390 1.031896
141.3211 2.096351
141.8032 2.776661
142.2853 1.832158
142.7675 1.328597
143.2496 1.494464
143.7317 1.709365
144.2138 3.616201
144.6959 4.772156
145.1780 5.140679
145.6602 5.448316
146.1423 4.711752
146.6244 3.663953
147.1065 1.481199
147.5886 1.438520
148.0707 1.989252
148.5529 1.914477
149.0350 2.195303
149.5171 2.600807
149.9992 2.059240
150.4813 0.7462610
150.9634 1.537209
151.4456 2.415351
151.9277 2.377776
152.4098 1.545989
152.8919 1.002704
153.3740 1.468972
153.8561 2.248119
154.3383 2.652178
154.8204 2.691268
155.3025 2.300918
155.7846 1.764858
156.2667 1.297530
156.7488 0.7884600
157.2310 3.7779999E-03
157.7131 0.7750260
158.1952 1.198482
158.6773 1.100242
159.1594 0.5897800
159.6415 8.0379002E-02
160.1237 0.3908780
160.6058 0.9103780
161.0879 1.722084
161.5700 2.544933
162.0521 2.972214
162.5342 2.724803
163.0164 1.842877
163.4985 0.9476770
163.9806 0.4234220
164.4627 1.349989
164.9448 1.403417
165.4269 0.7673340
165.9091 0.1506400
166.3912 1.159683
166.8733 2.236181
167.3554 2.367780
167.8375 0.8141830
168.3196 0.8816360
168.8018 1.951935
169.2839 2.358698
169.7660 2.342829
170.2481 2.011751
170.7302 1.356390
171.2123 0.6819490
171.6945 0.2752490
172.1766 0.2989430
172.6587 1.883792
173.1408 4.749312
173.6229 7.109974
174.1050 6.383596
174.5872 3.679686
175.0693 2.034325
175.5514 3.264753
176.0335 6.010008
176.5156 7.473495
176.9977 7.082352
177.4799 6.202894
177.9620 5.597385
178.4441 5.257870
178.9262 5.221731
179.4083 5.357227
179.8904 5.744001
180.3726 7.016226
180.8547 10.19953
181.3368 13.07341
181.8189 14.46926
182.3010 14.67828
182.7831 14.55260
183.2653 14.60339
183.7474 14.80093
184.2295 15.62628
184.7116 18.05916
185.1937 20.33670
185.6758 21.75210
186.1580 22.39755
186.6401 22.79319
187.1222 23.37007
187.6043 24.01394
188.0864 25.39046
188.5685 28.21949
189.0507 31.07650
189.5328 33.31899
190.0149 34.87784
190.4970 35.96388
190.9791 36.76232
191.4612 36.96572
191.9434 37.93454
192.4255 39.98790
192.9076 42.45628
193.3897 45.05728
193.8718 47.68007
194.3539 50.16187
194.8361 52.27732
195.3182 53.84868
195.8003 55.49286
196.2824 57.24452
196.7645 59.05169
197.2466 60.70587
197.7288 62.15292
198.2109 63.48280
198.6930 65.83694
199.1751 69.29671
199.6572 73.05356
200.1393 77.24528
200.6215 81.57324
201.1036 85.59131
201.5857 89.13506
202.0678 92.64222
202.5499 96.65995
203.0320 101.1010
203.5142 106.0112
203.9963 111.7365
204.4784 117.9475
204.9605 123.8110
205.4426 129.0796
205.9247 134.0500
206.4069 138.9442
206.8890 143.7931
207.3711 148.6554
207.8532 153.4959
208.3353 158.3339
208.8174 163.3660
209.2996 168.5345
209.7817 173.9566
210.2638 179.6899
210.7459 185.6775
211.2280 191.8430
211.7101 198.3397
212.1923 205.1245
212.6744 211.1478
213.1565 215.8827
213.6386 220.1134
214.1207 223.9911
214.6028 227.6248
215.0850 231.3986
215.5671 235.7443
216.0492 240.8067
216.5313 245.6098
217.0134 250.4529
217.4955 254.8042
217.9777 258.2766
218.4598 260.9566
218.9419 263.3334
219.4240 265.9030
219.9061 268.7695
220.3882 271.3117
220.8704 273.4702
221.3525 275.3967
221.8346 277.3203
222.3167 279.1057
222.7988 280.3626
223.2809 280.6277
223.7631 279.6801
224.2452 278.5312
224.7273 277.3477
225.2094 275.8670
225.6915 273.9293
226.1736 271.5286
226.6558 268.7889
227.1379 265.8996
227.6200 263.0016
228.1021 259.3011
228.5842 254.6581
229.0663 249.5091
229.5485 244.0813
230.0306 238.4247
230.5127 232.4464
230.9948 226.0230
231.4769 218.9600
231.9590 212.5416
232.4412 207.3121
232.9233 202.2580
233.4054 196.6781
233.8875 190.5702
234.3696 184.2812
234.8517 178.1091
235.3339 172.0538
235.8160 166.6535
236.2981 162.1576
236.7802 158.1072
237.2623 154.2739
237.7444 150.6360
238.2266 147.1372
238.7087 143.9384
239.1908 140.9539
239.6729 137.0079
240.1550 130.7052
240.6371 124.3819
241.1193 120.2675
241.6014 118.4099
242.0835 117.5611
242.5656 117.1597
243.0477 117.0600
243.5298 116.7143
244.0120 115.9771
244.4941 115.0829
244.9762 114.1006
245.4583 113.0032
245.9404 112.2878
246.4225 112.4060
246.9047 113.1742
247.3868 114.2004
247.8689 115.6697
248.3510 116.9779
248.8331 117.3406
249.3152 116.6731
249.7974 115.9929
250.2795 115.8478
250.7616 116.0244
251.2437 116.2760
251.7258 116.6285
252.2079 116.8233
252.6901 116.4443
253.1722 115.4263
253.6543 114.3825
254.1364 113.4360
254.6185 112.7032
255.1006 112.3831
255.5828 112.6274
256.0649 113.0091
256.5470 113.0530
257.0291 112.5092
257.5112 111.5410
257.9933 109.7602
258.4755 107.9004
258.9576 106.5969
259.4397 106.1108
259.9218 106.0007
260.4039 105.7249
260.8860 105.2187
261.3682 104.9258
261.8503 105.6179
262.3324 106.1289
262.8145 105.4329
263.2966 103.3926
263.7787 101.2114
264.2609 100.4183
264.7430 101.3387
265.2251 101.8094
265.7072 100.4445
266.1893 99.33720
266.6714 99.89607
267.1536 102.1061
267.6357 104.5977
268.1178 105.7785
268.5999 105.3287
269.0820 105.4621
269.5641 107.2245
270.0463 108.8508
270.5284 109.4311
271.0105 109.0670
271.4926 108.5249
271.9747 108.4789
272.4568 108.9535
272.9390 109.6879
273.4211 110.5986
273.9032 111.8757
274.3853 114.1338
274.8674 116.9218
275.3495 119.0759
275.8317 119.5253
276.3138 118.2437
276.7959 117.1934
277.2780 116.1265
277.7601 115.5850
278.2422 116.1366
278.7244 117.3349
279.2065 118.3573
279.6886 118.6353
280.1707 118.2227
280.6528 117.6717
281.1349 116.5771
281.6171 115.7953
282.0992 116.1822
282.5813 116.8589
283.0634 116.4795
283.5455 114.2165
284.0276 110.4595
284.5098 106.9660
284.9919 103.9966
285.4740 100.9985
285.9561 97.92331
286.4382 94.77849
286.9203 91.54922
287.4025 88.24673
287.8846 84.91197
288.3667 81.68808
288.8488 78.83818
289.3309 75.70290
289.8130 72.18917
290.2952 68.44100
290.7773 64.66666
291.2594 60.92979
291.7415 56.94178
292.2236 52.11420
292.7057 45.59089
293.1879 39.67891
293.6700 34.48580
294.1521 29.74326
294.6342 25.28066
295.1163 21.06463
295.5984 17.20617
296.0806 13.93728
296.5627 11.70845
297.0448 8.761134
297.5269 4.285738
298.0090 0.1175180
298.4911 3.359766
298.9733 5.497420
299.4554 7.360729
299.9375 9.813190
300.4196 9.735867
300.9017 7.000756
301.3839 4.817678
301.8660 3.201681
302.3481 2.496782
302.8302 2.400867
303.3123 2.116114
303.7944 0.9617200
304.2766 1.014927
304.7587 2.135704
305.2408 1.756006
305.7229 1.295774
306.2050 1.015207
306.6871 0.9212010
307.1693 1.031286
307.6514 1.380095
308.1335 1.850306
308.6156 1.889695
309.0977 1.099501
309.5798 0.3179330
310.0620 0.2147550
310.5441 0.7550440
311.0262 1.679928
311.5083 3.141207
311.9904 4.893506
312.4725 6.373241
312.9547 7.111954
313.4368 8.247312
313.9189 9.903510
314.4010 8.024052
314.8831 5.736987
315.3652 3.243197
315.8474 0.8507610
316.3295 0.9600660
316.8116 1.899191
317.2937 3.001534
317.7758 3.867264
318.2579 5.171504
318.7401 7.531346
319.2222 10.84813
319.7043 14.44873
320.1864 17.70517
320.6685 20.58700
321.1506 23.30629
321.6328 25.77138
322.1149 28.18827
322.5970 30.70367
323.0791 33.25478
323.5612 35.56281
324.0433 37.37180
324.5255 38.81647
325.0076 41.34618
325.4897 46.18105
325.9718 50.73260
326.4539 54.67282
326.9360 58.03099
327.4182 60.80428
327.9003 62.98915
328.3824 64.84322
328.8645 67.11220
329.3466 70.50969
329.8287 73.37389
330.3109 74.94862
330.7930 76.35196
331.2751 78.79617
331.7572 82.55092
332.2393 86.70939
332.7214 89.81216
333.2036 91.13051
333.6857 93.06049
334.1678 95.48044
334.6499 98.48138
335.1320 102.3638
335.6141 106.9744
336.0963 111.7023
336.5784 115.9260
337.0605 119.6102
337.5426 123.1570
338.0247 126.6739
338.5068 129.9619
338.9890 132.9218
339.4711 135.6031
339.9532 138.0990
340.4353 140.4994
340.9174 142.7591
341.3995 144.6393
341.8817 145.9472
342.3638 147.0504
342.8459 147.8462
343.3280 148.5357
343.8101 149.4026
344.2922 150.5677
344.7744 151.8113
345.2565 152.6257
345.7386 152.7222
346.2207 152.9397
346.7028 153.5301
347.1849 154.1194
347.6671 154.3498
348.1492 154.2021
348.6313 154.0174
349.1134 154.1700
349.5955 154.6593
350.0776 155.4953
350.5598 157.2084
351.0419 158.8006
351.5240 159.7692
352.0061 160.2394
352.4882 160.6645
352.9703 161.4051
353.4525 162.4186
353.9346 163.2371
354.4167 163.6075
354.8988 164.1251
355.3809 165.3183
355.8630 166.6239
356.3452 167.1678
356.8273 166.6590
357.3094 165.2480
357.7915 163.0462
358.2736 159.8072
358.7557 156.8962
359.2379 155.0371
359.7200 153.2970
360.2021 150.9891
360.6842 147.9576
361.1663 144.4542
361.6484 140.5841
362.1306 136.2891
362.6127 132.1088
363.0948 128.3626
363.5769 124.6760
364.0590 120.9869
364.5411 117.1770
365.0233 112.9372
365.5054 107.7805
365.9875 101.9512
366.4696 96.53487
366.9517 91.47706
367.4338 87.06122
367.9160 83.60136
368.3981 80.76022
368.8802 78.15874
369.3623 75.90509
369.8444 73.45602
370.3265 69.86419
370.8087 64.99401
371.2908 60.16771
371.7729 55.92675
372.2550 52.18167
372.7371 48.63874
373.2192 45.25840
373.7014 42.06153
374.1835 38.92219
374.6656 35.84225
375.1477 33.10184
375.6298 30.65681
376.1119 28.81887
376.5941 28.29315
377.0762 28.80989
377.5583 28.76128
378.0404 27.05984
378.5225 24.65835
379.0046 22.96468
379.4868 22.10390
379.9689 21.46751
380.4510 20.64306
380.9331 19.73264
381.4152 19.03525
381.8973 18.65595
382.3795 18.40678
382.8616 18.07800
383.3437 17.74759
383.8258 17.76046
384.3079 18.31584
384.7900 19.19258
385.2722 19.93661
385.7543 20.47067
386.2364 21.16006
386.7185 22.09456
387.2006 23.24045
387.6827 24.67228
388.1649 26.42391
388.6470 28.14020
389.1291 29.41269
389.6112 30.14394
390.0933 31.02926
390.5754 32.43861
391.0576 33.69446
391.5397 34.30477
392.0218 34.40615
392.5039 34.34198
392.9860 34.17932
393.4681 34.15870
393.9503 35.57984
394.4324 40.21553
394.9145 43.96380
395.3966 45.71048
395.8787 46.49819
396.3608 47.59259
396.8430 49.38428
397.3251 51.33204
397.8072 52.42838
398.2893 52.15281
398.7714 52.57688
399.2535 54.38984
399.7357 56.13732
400.2178 56.91454
400.6999 56.92944
401.1820 56.86100
401.6641 57.25066
402.1462 58.08759
402.6284 58.73270
403.1105 59.11437
403.5926 59.40630
404.0747 59.48715
404.5568 59.56995
405.0389 60.05837
405.5211 61.09083
406.0032 62.06780
406.4853 61.88412
406.9674 60.18197
407.4495 58.44474
407.9316 56.37436
408.4138 54.63306
408.8959 53.90312
409.3780 54.05014
409.8601 54.23348
410.3422 53.87822
410.8243 53.00486
411.3065 52.04535
411.7886 51.01993
412.2707 49.89058
412.7528 48.50333
413.2349 47.05243
413.7170 45.84790
414.1992 45.06948
414.6813 44.41584
415.1634 43.48061
415.6455 42.24944
416.1276 41.04628
416.6097 39.98516
417.0919 38.97873
417.5740 38.04260
418.0561 37.18353
418.5382 36.00958
419.0203 33.75077
419.5024 31.12621
419.9846 29.89028
420.4667 30.45708
420.9488 31.37175
421.4309 31.72732
421.9130 31.50443
422.3951 30.64816
422.8773 28.26665
423.3594 26.02084
423.8415 25.29227
424.3236 25.73120
424.8057 26.00492
425.2878 25.53172
425.7700 24.60214
426.2521 23.78688
426.7342 23.06466
427.2163 22.47739
427.6984 22.18187
428.1805 21.93488
428.6627 21.44942
429.1448 20.69739
429.6269 19.86855
430.1090 19.06563
430.5911 18.25229
431.0732 18.09226
431.5554 19.60126
432.0375 20.52193
432.5196 19.74084
433.0017 17.91994
433.4838 16.17862
433.9659 15.04262
434.4481 14.24448
434.9302 13.13267
435.4123 11.17663
435.8944 9.921092
436.3765 9.921405
436.8586 10.11772
437.3408 9.893162
437.8229 9.187829
438.3050 8.222622
438.7871 7.099026
439.2692 5.844470
439.7513 4.965793
440.2335 4.884158
440.7156 4.570320
441.1977 3.329728
441.6798 1.848778
442.1619 1.102990
442.6440 1.492565
443.1262 2.221354
443.6083 2.145831
444.0904 1.193934
444.5725 0.3197940
445.0546 0.3272160
445.5367 0.7987230
446.0189 1.176233
446.5010 1.441900
446.9831 1.473904
447.4652 0.9303040
447.9473 0.1928530
448.4294 2.7997000E-02
448.9116 0.5044890
449.3937 1.113564
449.8758 1.687714
450.3579 2.142392
450.8400 2.312115
451.3221 2.079130
451.8043 1.783117
452.2864 1.473347
452.7685 1.241040
453.2506 1.288640
453.7327 1.679940
454.2148 2.305692
454.6970 3.137527
455.1791 2.026635
455.6612 1.245637
456.1433 1.576278
456.6254 1.838811
457.1075 0.9961250
457.5897 0.5651220
458.0718 1.611697
458.5539 1.424985
459.0360 0.4055250
459.5181 0.1924520
460.0002 0.1074440
460.4824 0.2140840
460.9645 4.8300001E-04
461.4466 0.3392060
461.9287 0.7691340
462.4108 1.207373
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