#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:33:06 +0300 (Thu, 24 May 2018) $
#$Revision: 715 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000221.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_1000221
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 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            R060242.rod
_rod_data_source.block           3500000
_rod_database.code               1000221
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
166.2601 0.0000000E+00
166.7422 3.173128
167.2243 4.409835
167.7064 2.340651
168.1885 3.278339
168.6707 5.636113
169.1528 6.719653
169.6349 6.574134
170.1170 8.003671
170.5991 9.075740
171.0812 8.847504
171.5634 8.655072
172.0455 9.714133
172.5276 11.34626
173.0097 14.09592
173.4918 14.05622
173.9739 14.04070
174.4561 12.98135
174.9382 12.34936
175.4203 11.71381
175.9024 9.171374
176.3845 6.704836
176.8666 4.670052
177.3488 3.160860
177.8309 1.837362
178.3130 0.6691940
178.7951 0.5275960
179.2772 2.388698
179.7593 5.327959
180.2415 5.259933
180.7236 3.296080
181.2057 0.3775040
181.6878 3.740523
182.1699 3.580145
182.6520 0.2965890
183.1342 3.085217
183.6163 5.433006
184.0984 6.458188
184.5805 4.850126
185.0626 0.4717200
185.5447 7.011026
186.0269 10.18967
186.5090 10.11118
186.9911 10.17466
187.4732 13.32676
187.9553 18.92084
188.4374 23.59180
188.9196 26.63710
189.4017 28.71859
189.8838 31.20889
190.3659 34.17297
190.8480 37.40968
191.3301 40.67422
191.8123 44.06645
192.2944 48.12875
192.7765 52.98354
193.2586 58.58607
193.7407 64.76430
194.2228 71.58153
194.7050 78.55443
195.1871 84.91447
195.6692 90.64745
196.1513 97.57102
196.6334 106.3620
197.1155 116.5037
197.5977 125.9887
198.0798 134.4745
198.5619 143.4773
199.0440 154.4686
199.5261 167.5892
200.0082 180.9639
200.4904 194.2401
200.9725 207.4582
201.4546 221.1954
201.9367 235.3291
202.4188 250.3282
202.9009 266.7524
203.3831 284.8965
203.8652 302.7963
204.3473 319.4473
204.8294 335.1490
205.3115 353.6362
205.7936 375.5653
206.2758 398.8700
206.7579 421.2552
207.2400 442.0678
207.7221 463.9406
208.2042 487.5658
208.6863 513.0466
209.1685 539.3420
209.6506 566.8665
210.1327 594.9569
210.6148 622.7405
211.0969 649.5469
211.5790 677.5084
212.0612 707.5171
212.5433 739.3685
213.0254 771.0460
213.5075 802.3373
213.9896 833.8513
214.4717 866.0709
214.9538 899.7455
215.4360 932.7502
215.9181 964.8707
216.4002 995.7958
216.8823 1026.062
217.3644 1055.737
217.8465 1084.652
218.3287 1112.919
218.8108 1140.437
219.2929 1167.869
219.7750 1196.434
220.2571 1226.797
220.7392 1252.993
221.2214 1274.211
221.7035 1292.340
222.1856 1310.390
222.6677 1329.437
223.1498 1345.973
223.6319 1359.089
224.1141 1368.050
224.5962 1372.244
225.0783 1370.564
225.5604 1365.054
226.0425 1358.598
226.5246 1352.572
227.0068 1342.941
227.4889 1328.501
227.9710 1308.532
228.4531 1287.173
228.9352 1265.203
229.4173 1241.193
229.8995 1213.577
230.3816 1180.996
230.8637 1146.476
231.3458 1111.033
231.8279 1074.081
232.3100 1036.807
232.7922 998.9157
233.2743 961.1572
233.7564 923.9232
234.2385 887.2981
234.7206 851.4504
235.2027 816.4631
235.6849 782.3768
236.1670 748.8680
236.6491 715.7727
237.1312 683.3369
237.6133 651.8459
238.0954 620.5170
238.5776 591.5113
239.0597 565.5868
239.5418 543.2316
240.0239 520.6762
240.5060 496.9746
240.9881 473.7726
241.4703 453.2397
241.9524 436.1882
242.4345 420.6529
242.9166 406.5453
243.3987 393.8930
243.8808 381.1154
244.3630 367.4185
244.8451 354.1837
245.3272 343.1157
245.8093 334.8535
246.2914 327.5924
246.7735 321.0483
247.2557 315.2698
247.7378 309.3177
248.2199 302.6827
248.7020 296.2740
249.1841 291.0382
249.6662 286.9230
250.1484 284.0610
250.6305 282.9060
251.1126 283.6248
251.5947 283.2685
252.0768 281.6753
252.5589 280.1091
253.0411 279.8239
253.5232 281.0334
254.0053 282.3949
254.4874 283.7289
254.9695 285.0268
255.4516 286.7586
255.9338 288.8527
256.4159 291.5097
256.8980 295.1665
257.3801 300.5618
257.8622 305.2517
258.3444 308.8020
258.8265 311.3640
259.3086 313.7526
259.7907 315.4181
260.2728 317.5019
260.7549 321.0225
261.2371 326.0798
261.7192 332.3200
262.2013 339.8639
262.6834 348.6562
263.1655 357.6558
263.6476 366.1131
264.1298 375.6599
264.6119 388.4669
265.0940 406.0394
265.5761 421.4594
266.0582 432.7680
266.5403 440.8586
267.0225 451.4747
267.5046 465.6326
267.9867 480.1592
268.4688 492.5968
268.9509 502.5433
269.4330 512.5286
269.9152 522.8466
270.3973 533.4528
270.8794 543.7406
271.3615 552.8876
271.8436 562.2766
272.3257 572.7028
272.8079 584.3473
273.2900 596.7516
273.7721 610.3561
274.2542 624.5950
274.7363 637.8107
275.2184 649.6199
275.7006 661.6529
276.1827 674.8480
276.6648 689.4512
277.1469 703.9691
277.6290 718.3334
278.1111 732.5385
278.5933 746.4997
279.0754 760.3179
279.5575 773.9779
280.0396 787.8940
280.5217 801.9485
281.0038 814.4027
281.4860 825.0223
281.9681 834.2211
282.4502 842.8531
282.9323 850.9510
283.4144 857.6967
283.8965 862.6242
284.3787 865.7505
284.8608 867.9249
285.3429 869.4042
285.8250 869.2801
286.3071 866.1097
286.7892 859.9313
287.2714 851.9009
287.7535 842.5704
288.2356 831.7482
288.7177 819.2025
289.1998 804.9146
289.6819 788.5542
290.1641 769.2333
290.6462 747.1909
291.1283 724.1464
291.6104 701.0197
292.0925 677.3909
292.5746 652.7048
293.0568 626.8082
293.5389 600.1945
294.0210 573.5671
294.5031 546.8192
294.9852 519.8415
295.4673 492.6168
295.9495 465.2981
296.4316 438.7788
296.9137 413.1484
297.3958 387.9460
297.8779 362.4199
298.3600 337.1828
298.8422 313.1391
299.3243 290.5904
299.8064 269.2036
300.2885 248.4736
300.7706 228.4791
301.2527 208.9962
301.7349 190.0664
302.2170 171.6488
302.6991 153.7986
303.1812 135.5693
303.6633 119.3049
304.1454 109.3007
304.6276 103.9511
305.1097 97.27639
305.5918 84.72270
306.0739 69.25354
306.5560 54.35805
307.0381 40.23187
307.5203 27.31359
308.0024 15.99461
308.4845 6.122211
308.9666 2.663160
309.4487 10.28383
309.9308 17.07050
310.4130 23.28000
310.8951 28.75260
311.3772 23.49471
311.8593 20.09386
312.3414 17.74563
312.8235 15.13100
313.3057 10.91556
313.7878 6.840948
314.2699 4.207476
314.7520 3.157499
315.2341 1.968290
315.7162 0.7090510
316.1984 3.933741
316.6805 6.437634
317.1626 7.333754
317.6447 8.066673
318.1268 9.080177
318.6089 10.18980
319.0911 11.36135
319.5732 13.41662
320.0553 15.26466
320.5374 16.12744
321.0195 14.57619
321.5016 13.11487
321.9838 12.38830
322.4659 12.17788
322.9480 11.53819
323.4301 10.06611
323.9122 8.207840
324.3943 6.239748
324.8765 4.528708
325.3586 2.454120
325.8407 0.4239600
326.3228 3.723410
326.8049 6.495465
327.2870 7.646533
327.7692 9.107325
328.2513 11.73070
328.7334 7.927873
329.2155 4.256939
329.6976 2.239322
330.1797 1.303565
330.6619 0.6709960
331.1440 1.009292
331.6261 0.7445550
332.1082 0.6024500
332.5903 3.081366
333.0724 5.977006
333.5546 9.391235
334.0367 13.15511
334.5188 17.05041
335.0009 21.18215
335.4830 25.30555
335.9651 29.33372
336.4473 33.30864
336.9294 37.27047
337.4115 41.33040
337.8936 45.14765
338.3757 48.17701
338.8578 50.16570
339.3399 52.99384
339.8221 57.34173
340.3042 62.49415
340.7863 65.70045
341.2684 66.75853
341.7505 67.28859
342.2326 68.62988
342.7148 70.74503
343.1969 71.18458
343.6790 69.39223
344.1611 66.57065
344.6432 64.67108
345.1253 63.67257
345.6075 63.07755
346.0896 62.70264
346.5717 62.51135
347.0538 62.08119
347.5359 61.21820
348.0180 61.11143
348.5002 63.81184
348.9823 68.67582
349.4644 73.03936
349.9465 75.48459
350.4286 77.06870
350.9107 79.85982
351.3929 83.82097
351.8750 87.74540
352.3571 90.51853
352.8392 92.62585
353.3213 94.90601
353.8034 97.54475
354.2856 100.5447
354.7677 104.4647
355.2498 108.9711
355.7319 112.7628
356.2140 114.3330
356.6961 115.1183
357.1783 116.8432
357.6604 120.3155
358.1425 123.0976
358.6246 123.1544
359.1067 121.4386
359.5888 119.8536
360.0710 119.9446
360.5531 119.8084
361.0352 118.1087
361.5173 114.5414
361.9994 111.0446
362.4815 108.8206
362.9637 106.8735
363.4458 104.1393
363.9279 99.39375
364.4100 94.76645
364.8921 91.18573
365.3742 88.55003
365.8564 85.46033
366.3385 81.28612
366.8206 76.67584
367.3027 71.69121
367.7848 67.29890
368.2669 61.26685
368.7491 52.60855
369.2312 42.90043
369.7133 34.72613
370.1954 28.60924
370.6775 23.50108
371.1596 19.21850
371.6418 16.32349
372.1239 12.62576
372.6060 7.470913
373.0881 2.005362
373.5702 2.091660
374.0523 4.227224
374.5345 6.663027
375.0166 10.47034
375.4987 15.56871
375.9808 17.32772
376.4629 14.58441
376.9450 11.05212
377.4272 10.36576
377.9093 12.90162
378.3914 14.71418
378.8735 14.91908
379.3556 13.87593
379.8377 12.38908
380.3199 10.52454
380.8020 8.268669
381.2841 5.678928
381.7662 2.652115
382.2483 1.024601
382.7304 5.459888
383.2126 10.40342
383.6947 15.77622
384.1768 21.54660
384.6589 27.40749
385.1410 32.98489
385.6231 38.78069
386.1053 46.04909
386.5874 55.30003
387.0695 65.15432
387.5516 74.27574
388.0337 83.25144
388.5158 93.14393
388.9980 104.8757
389.4801 117.0428
389.9622 128.2936
390.4443 138.8411
390.9264 149.6666
391.4085 160.7360
391.8907 172.4016
392.3728 185.1404
392.8549 199.1988
393.3370 213.4216
393.8191 227.1867
394.3012 240.6680
394.7834 254.1649
395.2655 268.0696
395.7476 281.7148
396.2297 294.6790
396.7118 306.8144
397.1939 319.2350
397.6761 333.0750
398.1582 346.7581
398.6403 358.9730
399.1224 368.6460
399.6045 377.9792
400.0866 387.1468
400.5688 396.1833
401.0509 404.9422
401.5330 413.7242
402.0151 422.0216
402.4972 429.6711
402.9793 436.9081
403.4615 442.9289
403.9436 447.3438
404.4257 450.8565
404.9078 454.6798
405.3899 459.1241
405.8720 462.7860
406.3542 465.3179
406.8363 466.6911
407.3184 466.2174
407.8005 463.5006
408.2826 460.4668
408.7647 459.2057
409.2469 459.5490
409.7290 459.5587
410.2111 459.1372
410.6932 457.8089
411.1753 453.9946
411.6574 447.9799
412.1396 442.1925
412.6217 439.0536
413.1038 437.1204
413.5859 433.4151
414.0680 427.4824
414.5501 420.9629
415.0323 415.4656
415.5144 410.4787
415.9965 404.8677
416.4786 397.3936
416.9607 389.7069
417.4428 382.8092
417.9250 376.7456
418.4071 371.4146
418.8892 367.5981
419.3713 364.0665
419.8534 359.8321
420.3355 354.2961
420.8177 348.5830
421.2998 342.7504
421.7819 336.9908
422.2640 331.5549
422.7461 327.0907
423.2282 322.5754
423.7104 317.5918
424.1925 312.0548
424.6746 306.5498
425.1567 300.5109
425.6388 294.9156
426.1209 290.6356
426.6031 288.7324
427.0852 286.4445
427.5673 283.3803
428.0494 279.5780
428.5315 275.5327
429.0136 271.2963
429.4958 266.7030
429.9779 261.6629
430.4600 256.1134
430.9421 250.3429
431.4242 244.1812
431.9063 237.7375
432.3885 230.9933
432.8706 223.9177
433.3527 217.3159
433.8348 212.4766
434.3169 208.6606
434.7990 202.4349
435.2812 193.6665
435.7633 184.2633
436.2454 175.9179
436.7275 168.5727
437.2096 161.8430
437.6917 155.8873
438.1739 150.0674
438.6560 143.4464
439.1381 136.3937
439.6202 129.8733
440.1023 124.0752
440.5844 119.0169
441.0666 115.2017
441.5487 112.7762
442.0308 109.5119
442.5129 103.2554
442.9950 96.09316
443.4771 90.01743
443.9593 85.97982
444.4414 82.62694
444.9235 79.59625
445.4056 76.94953
445.8877 74.78109
446.3698 73.41328
446.8520 72.22147
447.3341 70.97339
447.8162 69.73482
448.2983 68.19887
448.7804 66.08080
449.2625 63.85143
449.7447 62.18515
450.2268 61.44688
450.7089 60.30859
451.1910 58.27243
451.6731 55.65225
452.1552 54.35201
452.6374 54.80402
453.1195 55.27921
453.6016 54.52573
454.0837 52.63322
454.5658 51.10702
455.0479 50.05206
455.5301 49.51083
456.0122 50.10255
456.4943 51.53275
456.9764 52.13083
457.4585 50.83226
457.9406 48.54446
458.4228 46.43652
458.9049 44.56641
459.3870 43.17628
459.8691 42.52669
460.3512 42.45642
460.8333 43.00980
461.3155 44.63061
461.7976 45.54053
462.2797 43.89287
462.7618 40.81602
463.2439 38.36349
463.7260 37.41390
464.2082 37.72579
464.6903 39.57072
465.1724 42.86282
465.6545 45.85002
466.1366 46.77556
466.6187 47.97044
467.1009 51.13821
467.5830 58.75477
468.0651 65.17664
468.5472 69.50362
469.0293 72.90900
469.5114 77.82744
469.9936 84.90300
470.4757 92.31136
470.9578 99.37796
471.4399 106.0562
471.9220 113.7803
472.4041 122.5008
472.8863 132.2037
473.3684 142.8244
473.8505 154.3177
474.3326 166.6938
474.8147 180.1428
475.2968 194.2033
475.7790 207.8669
476.2611 221.2556
476.7432 235.0091
477.2253 249.2139
477.7074 264.0764
478.1895 280.5683
478.6717 298.6899
479.1538 316.6174
479.6359 332.3004
480.1180 347.2564
480.6001 363.4762
481.0822 382.2951
481.5644 401.2693
482.0465 419.7293
482.5286 437.4292
483.0107 453.7548
483.4928 466.4326
483.9749 479.0458
484.4571 493.5534
484.9392 510.6702
485.4213 526.2917
485.9034 539.9339
486.3855 551.9492
486.8676 562.6355
487.3498 572.0926
487.8319 580.0343
488.3140 586.1241
488.7961 590.7770
489.2782 595.0973
489.7603 599.3225
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