#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:50:14 +0300 (Thu, 24 May 2018) $
#$Revision: 815 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000305.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_1000305
loop_
_publ_author_name
'Mills, S.'
'Mumme, G.'
'Grey, I.'
'Bordet, P.'
_publ_section_title
;
 The crystal structure of perhamite Note: H positions unknown Locality:
 Emmons mine, Greenwood, Maine
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              201
_journal_page_last               209
_journal_paper_doi               10.1180/0026461067020324
_journal_volume                  70
_journal_year                    2006
_chemical_compound_source        R110142
_chemical_formula_sum            'Al7.7 Ca2.7 H12.68 O45.862 P4 Si3 Sr0.3'
_chemical_name_mineral           Perhamite
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.021
_cell_length_b                   7.021
_cell_length_c                   20.218
_cell_volume                     863.111
_exptl_crystal_density_diffrn    2.495
_cod_original_formula_sum        'Ca2.7 Sr.3 P4 Al7.7 Si3 O45.862 H12.68'
_cod_database_code               9011829
_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            R110142.rod
_rod_data_source.block           3500000
_rod_database.code               1000305
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 9011829 COD http://www.crystallography.net/cod/9011829.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
186.4334 0.0000000E+00
186.9155 19.29785
187.3976 39.56641
187.8798 60.96338
188.3619 82.92090
188.8440 102.0547
189.3261 113.5039
189.8082 115.7700
190.2903 114.3794
190.7725 112.2305
191.2546 113.7358
191.7367 114.4634
192.2188 104.8135
192.7009 92.28857
193.1830 74.51758
193.6652 51.51660
194.1473 30.49072
194.6294 15.35986
195.1115 5.819824
195.5936 0.9082030
196.0757 5.044434
196.5579 6.508301
197.0400 4.606934
197.5221 0.8242190
198.0042 7.375977
198.4863 13.74854
198.9684 19.90332
199.4506 27.44238
199.9327 36.82715
200.4148 47.22607
200.8969 56.70068
201.3790 65.29590
201.8611 72.94775
202.3433 80.11621
202.8254 87.01709
203.3075 91.14795
203.7896 91.59570
204.2717 89.72461
204.7538 89.28906
205.2360 90.83789
205.7181 91.37793
206.2002 88.02539
206.6823 79.60010
207.1644 75.07715
207.6465 77.30029
208.1287 83.45215
208.6108 85.23291
209.0929 81.72607
209.5750 76.23438
210.0571 70.29150
210.5392 63.47559
211.0214 58.33984
211.5035 55.94531
211.9856 55.24023
212.4677 51.97607
212.9498 44.99023
213.4319 38.61523
213.9140 36.95557
214.3962 41.31055
214.8783 43.81445
215.3604 43.66602
215.8425 39.54004
216.3246 36.78418
216.8067 37.57764
217.2889 38.08887
217.7710 35.36426
218.2531 27.33838
218.7352 21.89062
219.2173 19.97266
219.6994 20.95117
220.1816 22.01660
220.6637 22.58301
221.1458 23.93408
221.6279 27.56787
222.1100 36.02246
222.5921 39.80371
223.0743 36.91309
223.5564 28.78760
224.0385 21.92188
224.5206 16.95605
225.0027 12.67041
225.4848 7.943848
225.9670 1.119141
226.4491 1.356934
226.9312 3.231934
227.4133 12.86963
227.8954 17.57227
228.3775 14.92871
228.8597 10.80762
229.3418 8.797363
229.8239 10.13965
230.3060 10.37354
230.7881 7.848145
231.2702 3.647461
231.7524 3.521484
232.2345 9.226563
232.7166 16.09033
233.1987 21.48584
233.6808 25.41748
234.1629 27.27246
234.6451 25.75830
235.1272 21.93018
235.6093 21.05371
236.0914 25.78125
236.5735 29.83984
237.0556 29.48779
237.5378 22.40137
238.0199 16.28418
238.5020 12.01465
238.9841 9.207520
239.4662 6.075684
239.9483 2.608887
240.4305 0.7524410
240.9126 3.789063
241.3947 6.542969
241.8768 8.479492
242.3589 9.274414
242.8410 9.185059
243.3232 9.440918
243.8053 11.72266
244.2874 12.15234
244.7695 8.169434
245.2516 3.533203
245.7337 11.66309
246.2159 14.33594
246.6980 13.18945
247.1801 13.79834
247.6622 17.62061
248.1443 20.77100
248.6264 20.82471
249.1086 15.00146
249.5907 12.68115
250.0728 14.86572
250.5549 20.50195
251.0370 27.09082
251.5191 35.99121
252.0013 43.97363
252.4834 49.52197
252.9655 51.34424
253.4476 54.12549
253.9297 57.71240
254.4118 62.37402
254.8940 69.10791
255.3761 79.90137
255.8582 89.38867
256.3403 94.27344
256.8224 91.22217
257.3046 94.65381
257.7867 107.3652
258.2688 124.4790
258.7509 136.2700
259.2330 140.3174
259.7151 143.4658
260.1973 148.8413
260.6794 157.6377
261.1615 162.1890
261.6436 160.4482
262.1257 156.2583
262.6078 156.2383
263.0900 161.6816
263.5721 168.5859
264.0542 175.8755
264.5363 183.9087
265.0184 191.8604
265.5005 200.4863
265.9827 208.6626
266.4648 213.7793
266.9469 213.3306
267.4290 217.2534
267.9111 230.5527
268.3932 254.0381
268.8754 271.2285
269.3575 280.8208
269.8396 285.8765
270.3217 289.5767
270.8038 291.5459
271.2859 292.6084
271.7681 292.0811
272.2502 290.0063
272.7323 291.4351
273.2144 297.6279
273.6965 304.5439
274.1786 308.2085
274.6608 308.6309
275.1429 305.9492
275.6250 299.1479
276.1071 289.0156
276.5892 281.0898
277.0714 276.2026
277.5535 271.4692
278.0356 263.9507
278.5177 253.3457
278.9998 242.4902
279.4819 231.2822
279.9641 220.2993
280.4462 214.4092
280.9283 215.3770
281.4104 213.6460
281.8925 198.6572
282.3746 170.2026
282.8568 147.2549
283.3389 134.7681
283.8210 128.4878
284.3031 115.5591
284.7852 95.57861
285.2673 76.45654
285.7495 64.21631
286.2316 58.54443
286.7137 54.09814
287.1958 50.45361
287.6779 47.51611
288.1600 44.76514
288.6422 42.15576
289.1243 40.69775
289.6064 41.89209
290.0885 44.96826
290.5706 45.88037
291.0527 43.66016
291.5349 40.13428
292.0170 38.22949
292.4991 37.71387
292.9812 37.14795
293.4633 35.39551
293.9454 32.88477
294.4276 31.21484
294.9097 30.63330
295.3918 30.28369
295.8739 28.76758
296.3560 26.43506
296.8381 24.82422
297.3203 24.05322
297.8024 24.65625
298.2845 28.88184
298.7666 37.15088
299.2487 44.62842
299.7308 45.44092
300.2130 41.54395
300.6951 38.35449
301.1772 38.19385
301.6593 39.69580
302.1414 41.82910
302.6235 44.75488
303.1057 47.33447
303.5878 46.78955
304.0699 44.70557
304.5520 44.14307
305.0341 47.98389
305.5162 52.07520
305.9984 51.49121
306.4805 46.79004
306.9626 41.75732
307.4447 37.32812
307.9268 34.63770
308.4089 35.88281
308.8911 44.76904
309.3732 52.90479
309.8553 52.38379
310.3374 45.17529
310.8195 37.87451
311.3016 34.04541
311.7838 31.91699
312.2659 29.63916
312.7480 26.12012
313.2301 24.12402
313.7122 26.11572
314.1943 30.80811
314.6765 35.45508
315.1586 41.29053
315.6407 44.99219
316.1228 43.49609
316.6049 35.02930
317.0870 27.46582
317.5692 26.52637
318.0513 28.17139
318.5334 26.73486
319.0155 15.74121
319.4976 5.296387
319.9797 0.1938480
320.4619 0.2148440
320.9440 1.909180
321.4261 7.551270
321.9082 13.74512
322.3903 17.63477
322.8724 16.52734
323.3546 14.99512
323.8367 14.48682
324.3188 14.92725
324.8009 14.07422
325.2830 10.67676
325.7651 6.532715
326.2473 2.844727
326.7294 0.2524410
327.2115 2.607422
327.6936 3.946289
328.1757 4.231445
328.6578 3.818359
329.1400 2.432129
329.6221 0.2939450
330.1042 2.807617
330.5863 9.850586
331.0684 12.84277
331.5505 8.211426
332.0327 3.9551001E-02
332.5148 2.370605
332.9969 4.179688
333.4790 11.73340
333.9611 17.31738
334.4432 19.67334
334.9254 24.36914
335.4075 32.96484
335.8896 42.12793
336.3717 47.17285
336.8538 46.59570
337.3359 44.84277
337.8180 42.83887
338.3001 40.71533
338.7823 41.74121
339.2644 47.63916
339.7465 54.14062
340.2286 56.44189
340.7107 53.63721
341.1928 49.19629
341.6750 43.27246
342.1571 37.25000
342.6392 36.59229
343.1213 42.40088
343.6034 48.93359
344.0855 50.49268
344.5677 46.54492
345.0498 43.86670
345.5319 43.75830
346.0140 46.41699
346.4961 52.03125
346.9782 60.13965
347.4604 67.88330
347.9425 73.15674
348.4246 77.11768
348.9067 84.36377
349.3888 95.51855
349.8709 107.4912
350.3531 117.0776
350.8352 124.7954
351.3173 132.3315
351.7994 139.5903
352.2815 147.5293
352.7636 157.7119
353.2458 169.8198
353.7279 183.0640
354.2100 196.7539
354.6921 211.0405
355.1742 226.2827
355.6563 243.6475
356.1385 261.0020
356.6206 276.8477
357.1027 291.1694
357.5848 303.5693
358.0669 312.6597
358.5490 320.4893
359.0312 329.4980
359.5133 341.8833
359.9954 352.0181
360.4775 356.4214
360.9596 356.3682
361.4417 354.4336
361.9239 350.1587
362.4060 345.8247
362.8881 342.8770
363.3702 341.6147
363.8523 340.2202
364.3344 337.9150
364.8166 334.8687
365.2987 331.5039
365.7808 325.9570
366.2629 322.3672
366.7450 323.3188
367.2271 328.7559
367.7093 331.4375
368.1914 327.1372
368.6735 321.8408
369.1556 319.4121
369.6377 323.2808
370.1198 325.7939
370.6020 326.9058
371.0841 326.3916
371.5662 323.4243
372.0483 316.3511
372.5304 308.7192
373.0125 302.3027
373.4947 298.6724
373.9768 291.5288
374.4589 279.7427
374.9410 265.2778
375.4231 251.0547
375.9052 236.5273
376.3874 223.9409
376.8695 214.6343
377.3516 208.5547
377.8337 202.2603
378.3158 195.7388
378.7979 189.3804
379.2801 184.8179
379.7622 182.3618
380.2443 175.0532
380.7264 159.2588
381.2085 139.5728
381.6906 128.2798
382.1728 125.4067
382.6549 126.0679
383.1370 129.0503
383.6191 133.0234
384.1012 132.9224
384.5833 127.8066
385.0655 119.2651
385.5476 107.2661
386.0297 93.02002
386.5118 81.67334
386.9939 77.72754
387.4760 77.29199
387.9582 75.09082
388.4403 71.04395
388.9224 65.71191
389.4045 58.66260
389.8866 51.03125
390.3687 44.35156
390.8509 40.10010
391.3330 36.40576
391.8151 32.71191
392.2972 28.77344
392.7793 23.37061
393.2614 11.93604
393.7436 1.354492
394.2257 2.928223
394.7078 2.815430
395.1899 7.982910
395.6720 9.043457
396.1541 7.010742
396.6363 3.545410
397.1184 5.600586
397.6005 11.88721
398.0826 11.10254
398.5647 2.013184
399.0468 4.945801
399.5290 10.66211
400.0111 12.78760
400.4932 9.206543
400.9753 10.24756
401.4574 21.45557
401.9395 18.22803
402.4217 4.196777
402.9038 2.919922
403.3859 1.335449
403.8680 5.883789
404.3501 4.474609
404.8322 6.130859
405.3144 10.72656
405.7965 7.013672
406.2786 6.3477002E-02
406.7607 2.166992
407.2428 1.692383
407.7249 4.988281
408.2071 5.316895
408.6892 3.149902
409.1713 0.9316410
409.6534 1.642090
410.1355 2.690918
410.6176 0.7348630
411.0998 7.701660
411.5819 12.76562
412.0640 14.66992
412.5461 14.47363
413.0282 13.01123
413.5103 10.60840
413.9925 9.223145
414.4746 11.22314
414.9567 14.54785
415.4388 15.93262
415.9209 15.04883
416.4030 13.12744
416.8852 10.40430
417.3673 7.519531
417.8494 5.497070
418.3315 6.964844
418.8136 7.715820
419.2957 4.244141
419.7779 2.714355
420.2600 8.855469
420.7421 12.87793
421.2242 14.73926
421.7063 14.11035
422.1884 9.536621
422.6706 4.940918
423.1527 0.7807620
423.6348 2.779785
424.1169 5.421875
424.5990 6.491699
425.0811 7.169922
425.5633 7.001953
426.0454 5.353027
426.5275 6.786621
427.0096 13.79639
427.4917 21.70312
427.9738 26.37549
428.4560 25.23145
428.9381 26.06494
429.4202 30.59473
429.9023 37.37305
430.3844 41.73779
430.8665 43.10205
431.3487 43.60742
431.8308 45.02246
432.3129 47.60889
432.7950 45.66162
433.2771 37.86084
433.7592 29.12305
434.2414 27.08594
434.7235 31.10205
435.2056 32.52686
435.6877 27.45605
436.1698 19.05176
436.6519 13.61084
437.1341 11.12549
437.6162 10.26465
438.0983 12.03174
438.5804 14.34277
439.0625 12.68945
439.5446 5.037109
440.0268 2.164551
440.5089 2.115234
440.9910 2.582520
441.4731 6.578613
441.9552 6.982422
442.4373 6.235840
442.9195 5.624512
443.4016 5.151367
443.8837 4.842285
444.3658 3.279785
444.8479 2.507813
445.3300 4.250488
445.8122 13.24219
446.2943 18.82031
446.7764 16.51514
447.2585 9.382324
447.7406 5.310059
448.2227 6.631836
448.7049 9.338867
449.1870 12.79102
449.6691 17.31836
450.1512 20.80176
450.6333 23.49854
451.1154 25.02979
451.5976 24.60107
452.0797 21.49609
452.5618 19.42773
453.0439 18.89404
453.5260 19.49902
454.0081 20.01855
454.4903 20.32861
454.9724 20.93457
455.4545 22.40283
455.9366 25.06055
456.4187 29.11035
456.9008 34.17041
457.3830 40.21875
457.8651 47.43750
458.3472 55.68164
458.8293 63.67627
459.3114 72.36133
459.7935 80.48828
460.2757 85.73877
460.7578 88.04492
461.2399 89.42578
461.7220 90.40576
462.2041 92.02051
462.6862 95.51855
463.1684 100.9731
463.6505 106.5845
464.1326 112.6348
464.6147 117.8608
465.0968 120.9668
465.5789 121.0229
466.0611 119.1348
466.5432 115.1133
467.0253 109.1787
467.5074 103.2358
467.9895 99.93262
468.4716 95.19922
468.9538 86.20947
469.4359 68.16211
469.9180 56.46924
470.4001 53.53027
470.8822 55.04053
471.3643 54.90674
471.8465 53.10400
472.3286 49.18555
472.8107 41.87109
473.2928 32.19287
473.7749 25.95605
474.2570 23.40234
474.7392 22.95605
475.2213 24.16895
475.7034 26.76660
476.1855 28.89941
476.6676 30.40771
477.1497 31.56934
477.6319 32.74170
478.1140 33.63867
478.5961 33.68506
479.0782 30.98730
479.5603 28.66260
480.0424 31.06201
480.5246 37.73535
481.0067 44.86914
481.4888 48.58545
481.9709 52.13184
482.4530 58.53809
482.9352 69.01953
483.4173 80.60645
483.8994 93.38232
484.3815 106.1968
484.8636 117.1831
485.3457 123.9258
485.8279 130.7422
486.3100 138.4692
486.7921 147.2471
487.2742 157.2715
487.7563 168.5884
488.2384 181.4863
488.7206 196.4775
489.2027 215.0972
489.6848 231.5591
490.1669 244.6152
490.6490 256.9653
491.1311 273.3501
491.6133 294.0234
492.0954 316.0806
492.5775 339.2329
493.0596 362.8579
493.5417 384.5942
494.0238 404.2222
494.5060 424.1675
494.9881 445.4150
495.4702 468.0835
495.9523 493.3799
496.4344 521.3394
496.9165 551.2329
497.3987 584.9712
497.8808 619.9453
498.3629 650.6973
498.8450 673.3389
499.3271 692.5859
499.8092 710.6099
500.2914 727.7646
500.7735 743.9609
501.2556 760.2803
501.7377 775.4590
502.2198 789.1641
502.7019 802.6011
503.1841 812.0713
503.6662 816.7031
504.1483 817.4224
504.6304 814.9307
505.1125 805.9678
505.5946 799.3262
506.0768 797.9404
506.5589 799.9971
507.0410 795.7505
507.5231 782.9775
508.0052 769.9194
508.4873 760.2266
508.9695 753.9702
509.4516 751.3564
509.9337 753.0688
510.4158 754.4785
510.8979 748.9541
511.3800 738.1665
511.8622 729.5337
512.3443 725.6465
512.8264 723.2910
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1276.017 27.53711
1276.499 20.06641
1276.981 16.01953
1277.463 15.92969
1277.946 17.15527
1278.428 20.97656
1278.910 22.81152
1279.392 17.28418
1279.874 9.281250
1280.356 3.820313
1280.838 0.9902340
1281.320 2.958008
1281.802 9.007813
1282.285 12.77246
1282.767 8.207031
1283.249 4.009766
1283.731 2.875000
1284.213 3.643555
1284.695 6.007813
1285.177 9.397461
1285.659 11.80078
1286.141 13.04688
1286.624 12.75195
1287.106 5.850586
1287.588 5.787109
1288.070 17.87109
1288.552 28.70312
1289.034 23.24902
1289.516 10.28613
1289.998 10.39648
1290.481 19.57812
1290.963 27.32227
1291.445 32.70215
1291.927 31.79102
1292.409 23.14062
1292.891 13.93457
1293.373 8.099609
1293.855 5.720703
1294.338 9.038086
1294.820 15.21289
1295.302 18.79785
1295.784 19.44238
1296.266 16.31641
1296.748 8.994141
1297.230 5.525391
1297.712 14.46094
1298.194 24.79688
1298.677 28.37402
1299.159 27.50000
1299.641 24.63379
1300.123 19.61914
1300.605 14.86816
1301.087 10.48340
1301.569 7.351563
1302.051 7.182617
1302.533 5.347656
1303.016 0.0000000E+00
