#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 14:00:14 +0300 (Thu, 26 Apr 2018) $
#$Revision: 589 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000129.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_1000129
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 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            R110142.rod
_rod_data_source.block           3500000
_rod_database.code               1000129
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
94.49622 0.0000000E+00
94.97833 4.495972
95.46045 10.62433
95.94257 18.07068
96.42468 20.88470
96.90680 15.95337
97.38892 11.69727
97.87103 11.10034
98.35315 13.24878
98.83527 16.08508
99.31738 16.04852
99.79950 12.95508
100.2816 9.804382
100.7637 7.066833
101.2458 4.755371
101.7280 2.574402
102.2101 0.4197390
102.6922 0.6079710
103.1743 0.7052610
103.6564 0.2341310
104.1385 0.9301760
104.6207 2.760376
105.1028 5.513184
105.5849 7.914185
106.0670 9.203308
106.5491 9.764709
107.0313 9.825745
107.5134 9.191956
107.9955 8.352661
108.4776 8.097656
108.9597 8.904846
109.4418 8.908752
109.9240 6.303101
110.4061 3.356689
110.8882 1.750854
111.3703 2.077759
111.8524 3.519348
112.3345 4.221252
112.8167 2.857300
113.2988 2.607910
113.7809 5.177979
114.2630 9.562317
114.7451 13.87610
115.2272 16.61273
115.7094 17.68378
116.1915 18.15472
116.6736 19.01154
117.1557 19.67664
117.6378 19.82074
118.1199 20.09070
118.6021 20.64545
119.0842 21.27533
119.5663 22.10193
120.0484 23.12354
120.5305 24.58221
121.0126 26.01184
121.4948 27.47894
121.9769 29.08215
122.4590 30.09918
122.9411 29.16699
123.4232 26.86401
123.9053 24.95776
124.3875 24.72174
124.8696 25.38055
125.3517 24.62927
125.8338 21.36700
126.3159 17.72559
126.7980 15.01434
127.2802 13.21191
127.7623 12.20233
128.2444 12.27045
128.7265 13.58929
129.2086 14.18842
129.6907 13.15289
130.1729 11.88452
130.6550 11.19769
131.1371 11.10168
131.6192 10.87024
132.1013 9.368286
132.5834 5.497681
133.0656 2.479736
133.5477 0.5463260
134.0298 0.7901610
134.5119 1.850464
134.9940 2.749939
135.4761 3.464478
135.9583 3.924500
136.4404 4.645142
136.9225 4.399658
137.4046 2.406494
137.8867 0.4606320
138.3688 3.128357
138.8510 5.227905
139.3331 6.554382
139.8152 6.340027
140.2973 3.804810
140.7794 1.238953
141.2615 0.6058960
141.7437 1.745361
142.2258 2.251099
142.7079 1.972107
143.1900 1.102966
143.6721 0.1382450
144.1542 1.109619
144.6364 2.185242
145.1185 2.414063
145.6006 1.607483
146.0827 1.143127
146.5648 2.427368
147.0469 4.221802
147.5291 5.201599
148.0112 4.709839
148.4933 3.348022
148.9754 2.395325
149.4575 1.794617
149.9396 1.796143
150.4218 2.677063
150.9039 4.036865
151.3860 5.350220
151.8681 6.300415
152.3502 7.752197
152.8323 9.289429
153.3145 11.13257
153.7966 12.83777
154.2787 14.32959
154.7608 15.61023
155.2429 16.66772
155.7250 17.44275
156.2072 17.87958
156.6893 18.85687
157.1714 21.14880
157.6535 23.15979
158.1356 23.61493
158.6177 22.90546
159.0999 22.86823
159.5820 25.47217
160.0641 31.34076
160.5462 35.09180
161.0283 35.01306
161.5104 34.19977
161.9926 35.08032
162.4747 37.95465
162.9568 41.34192
163.4389 43.61694
163.9210 44.84064
164.4031 46.30652
164.8853 48.43854
165.3674 50.87579
165.8495 53.16693
166.3316 55.36511
166.8137 57.12311
167.2958 57.96387
167.7780 58.05237
168.2601 57.92242
168.7422 57.52039
169.2243 57.06500
169.7064 57.39655
170.1885 59.04810
170.6707 60.91766
171.1528 62.48120
171.6349 63.74023
172.1170 64.62708
172.5991 64.75439
173.0812 64.03656
173.5634 64.10229
174.0455 65.88800
174.5276 67.87640
175.0097 69.59076
175.4918 70.94342
175.9739 71.95148
176.4561 72.34998
176.9382 71.50922
177.4203 72.31390
177.9024 76.01282
178.3845 80.17627
178.8666 83.54962
179.3488 85.95837
179.8309 88.02948
180.3130 90.59241
180.7951 93.99622
181.2772 97.07147
181.7593 99.29456
182.2415 101.5670
182.7236 104.6595
183.2057 108.7093
183.6878 113.1406
184.1699 117.0931
184.6520 120.2416
185.1342 123.5496
185.6163 127.3588
186.0984 131.2248
186.5805 134.6193
187.0626 137.3624
187.5447 139.7385
188.0269 142.3772
188.5090 145.6414
188.9911 147.8829
189.4732 148.5026
189.9553 147.8745
190.4374 146.5645
190.9196 144.6207
191.4017 142.1666
191.8838 139.5051
192.3659 136.7601
192.8480 133.2595
193.3301 128.0833
193.8123 121.7674
194.2944 116.2374
194.7765 112.3239
195.2586 109.2443
195.7407 106.0153
196.2228 102.5320
196.7050 99.11407
197.1871 95.96918
197.6692 93.08539
198.1513 90.42047
198.6334 87.87488
199.1155 85.60614
199.5977 83.83911
200.0798 82.60547
200.5619 81.65778
201.0440 80.64374
201.5261 79.46356
202.0082 78.92615
202.4904 80.13635
202.9725 81.22620
203.4546 81.18170
203.9367 79.92145
204.4188 78.09491
204.9009 76.32654
205.3831 74.41040
205.8652 73.19916
206.3473 73.44690
206.8294 73.78601
207.3115 73.44202
207.7936 72.29742
208.2758 70.72437
208.7579 69.17297
209.2400 67.40369
209.7221 66.23230
210.2042 66.59277
210.6863 66.80841
211.1685 65.33960
211.6506 62.06396
212.1327 58.43781
212.6148 56.62445
213.0969 58.01044
213.5790 58.40393
214.0612 57.20111
214.5433 55.46741
215.0254 54.01996
215.5075 53.05603
215.9896 52.22833
216.4717 51.08588
216.9539 49.55096
217.4360 47.76617
217.9181 45.53339
218.4002 43.14813
218.8823 40.64551
219.3644 38.03546
219.8466 35.93286
220.3287 35.60034
220.8108 37.59570
221.2929 38.10065
221.7750 35.30933
222.2571 31.25275
222.7393 28.54462
223.2214 27.83765
223.7035 27.84076
224.1856 27.03589
224.6677 25.50342
225.1498 23.89594
225.6320 21.90210
226.1141 20.05188
226.5962 19.60931
227.0783 21.30719
227.5604 22.84637
228.0425 21.06488
228.5247 16.82202
229.0068 13.65106
229.4889 13.84985
229.9710 16.00543
230.4531 16.81726
230.9352 15.43713
231.4174 13.81439
231.8995 13.68506
232.3816 14.55377
232.8637 15.07959
233.3458 14.44641
233.8279 12.95483
234.3101 11.56573
234.7922 10.40656
235.2743 9.186707
235.7564 7.195129
236.2385 5.014526
236.7206 3.902893
237.2028 5.196167
237.6849 8.175415
238.1670 9.757935
238.6491 9.486267
239.1312 8.333679
239.6133 6.113525
240.0955 3.499878
240.5776 1.651184
241.0597 1.514160
241.5418 2.624756
242.0239 2.688416
242.5060 0.7694700
242.9882 0.9647220
243.4703 2.043518
243.9524 2.526062
244.4345 2.483215
244.9166 1.897949
245.3987 0.8858640
245.8809 7.8739999E-03
246.3630 0.4210210
246.8451 1.140625
247.3272 2.711609
247.8093 4.533203
248.2914 5.763123
248.7736 5.911011
249.2557 5.283569
249.7378 5.140381
250.2199 6.049316
250.7020 6.761108
251.1841 6.910461
251.6663 6.847290
252.1484 6.992798
252.6305 7.551331
253.1126 8.419128
253.5947 9.289001
254.0768 10.72858
254.5590 11.41394
255.0411 10.33490
255.5232 8.831543
256.0053 8.487549
256.4874 9.970459
256.9695 12.57013
257.4517 14.56671
257.9338 14.97656
258.4159 15.94983
258.8980 18.08069
259.3801 20.52991
259.8622 22.42096
260.3444 23.45050
260.8265 23.94373
261.3086 24.48999
261.7907 24.92804
262.2728 25.71588
262.7549 27.43481
263.2371 29.31281
263.7192 30.27673
264.2013 30.08521
264.6834 29.64508
265.1655 30.22931
265.6476 32.35590
266.1298 34.37256
266.6119 35.96729
267.0940 37.60236
267.5761 39.91620
268.0582 43.04718
268.5403 46.19556
269.0225 48.45398
269.5046 49.62524
269.9867 50.22864
270.4688 49.64117
270.9509 48.95502
271.4330 49.12524
271.9152 50.34430
272.3973 52.00439
272.8794 53.68494
273.3615 55.36584
273.8436 56.31848
274.3257 55.77722
274.8079 55.11670
275.2900 55.97766
275.7721 58.26215
276.2542 59.69373
276.7363 58.24963
277.2184 54.23407
277.7006 51.22113
278.1827 49.77698
278.6648 48.82996
279.1469 48.19067
279.6290 47.76044
280.1111 46.58075
280.5933 43.70068
281.0754 39.72394
281.5575 36.84534
282.0396 36.08392
282.5217 35.18591
283.0038 32.41144
283.4860 28.12555
283.9681 24.21478
284.4502 21.58588
284.9323 19.83521
285.4144 17.92212
285.8965 15.59418
286.3787 13.69855
286.8608 13.22321
287.3429 13.69287
287.8250 13.22870
288.3071 10.82532
288.7892 7.758118
289.2714 5.916016
289.7535 5.396851
290.2356 5.039917
290.7177 4.112122
291.1998 2.925903
291.6819 2.399780
292.1641 2.967407
292.6462 3.782959
293.1283 3.922180
293.6104 3.464355
294.0925 2.833008
294.5746 1.917969
295.0568 0.9901120
295.5389 0.6897580
296.0210 1.253479
296.5031 1.962280
296.9852 2.238770
297.4673 2.178345
297.9495 1.959473
298.4316 1.078308
298.9137 0.2885740
299.3958 1.069824
299.8779 3.815552
300.3600 6.362000
300.8422 7.097046
301.3243 6.644348
301.8064 5.935791
302.2885 4.855103
302.7706 3.922241
303.2527 3.869080
303.7349 4.749023
304.2170 5.565125
304.6991 5.550964
305.1812 5.364136
305.6633 5.988831
306.1454 7.829895
306.6276 9.784119
307.1097 11.07538
307.5918 11.70184
308.0739 11.47198
308.5560 9.558105
309.0381 7.439453
309.5203 7.097900
310.0024 8.786255
310.4845 10.04987
310.9666 8.619629
311.4487 5.123657
311.9308 2.728271
312.4130 2.360107
312.8951 2.849487
313.3772 3.183533
313.8593 3.378784
314.3414 3.546814
314.8235 3.855042
315.3057 4.171509
315.7878 4.132935
316.2699 3.653137
316.7520 2.950806
317.2341 1.964294
317.7162 0.8794560
318.1984 0.1380620
318.6805 0.2388920
319.1626 0.6260990
319.6447 0.1937870
320.1268 1.313232
320.6089 2.333740
321.0911 1.316895
321.5732 0.5637820
322.0553 1.660095
322.5374 1.387390
323.0195 0.6714480
323.5016 0.5424800
323.9838 1.004272
324.4659 1.165894
324.9480 0.4413450
325.4301 0.5866700
325.9122 1.268372
326.3943 1.597717
326.8765 1.489197
327.3586 0.3874510
327.8407 1.408813
328.3228 2.070068
328.8049 0.5834350
329.2870 1.348083
329.7692 1.917297
330.2513 1.237854
330.7334 0.4549560
331.2155 0.1617430
331.6976 0.4643550
332.1797 0.1725460
332.6619 2.254639
333.1440 4.036560
333.6261 3.558289
334.1082 1.637878
334.5903 0.1403810
335.0724 0.4230350
335.5546 1.029907
336.0367 0.3235470
336.5188 3.860962
337.0009 7.007385
337.4830 8.049927
337.9651 7.764221
338.4473 7.633423
338.9294 7.881775
339.4115 8.208252
339.8936 8.179932
340.3757 7.922546
340.8578 8.379517
341.3400 10.21362
341.8221 12.41663
342.3042 13.43500
342.7863 13.09119
343.2684 12.81360
343.7505 13.43127
344.2327 14.59705
344.7148 15.47681
345.1969 15.83716
345.6790 16.11249
346.1611 16.90643
346.6432 18.17517
347.1254 19.27985
347.6075 19.26306
348.0896 19.22479
348.5717 20.92535
349.0538 24.60144
349.5359 28.37665
350.0181 30.93286
350.5002 32.43573
350.9823 33.82782
351.4644 35.02582
351.9465 36.07019
352.4286 36.84863
352.9108 37.51794
353.3929 38.70648
353.8750 40.80688
354.3571 43.45270
354.8392 45.70361
355.3214 47.24054
355.8035 49.31378
356.2856 52.78589
356.7677 56.92792
357.2498 60.50153
357.7319 63.16162
358.2141 65.26093
358.6962 67.15424
359.1783 68.77130
359.6604 70.58270
360.1425 72.34253
360.6246 74.54321
361.1068 78.05316
361.5889 82.83313
362.0710 87.38751
362.5531 90.55145
363.0352 92.26831
363.5173 93.20148
363.9995 92.36835
364.4816 91.80133
364.9637 92.58997
365.4458 94.42737
365.9279 96.49652
366.4100 98.40137
366.8922 100.1792
367.3743 101.9131
367.8564 102.9752
368.3385 104.8652
368.8206 108.7787
369.3027 113.1932
369.7849 116.2966
370.2670 117.5876
370.7491 117.8729
371.2312 118.2331
371.7133 118.7816
372.1954 119.0156
372.6776 118.9208
373.1597 118.5577
373.6418 118.0363
374.1239 117.3035
374.6060 116.0958
375.0881 114.0846
375.5703 111.3229
376.0524 109.3292
376.5345 109.2603
377.0166 108.6240
377.4987 106.7120
377.9808 103.8455
378.4630 100.5579
378.9451 97.20294
379.4272 93.83978
379.9093 90.55469
380.3914 87.83124
380.8735 84.26007
381.3557 78.62738
381.8378 73.04468
382.3199 69.25549
382.8020 67.34967
383.2841 65.97858
383.7662 63.65302
384.2484 60.17169
384.7305 57.24188
385.2126 55.34454
385.6947 53.63995
386.1768 51.98029
386.6589 50.25421
387.1411 48.25421
387.6232 45.99371
388.1053 43.50766
388.5874 40.58276
389.0695 36.72723
389.5516 33.32651
390.0338 30.69766
390.5159 28.41199
390.9980 26.26089
391.4801 24.31476
391.9622 22.60681
392.4443 21.09326
392.9265 19.69958
393.4086 18.04562
393.8907 15.87546
394.3728 13.84579
394.8549 12.37775
395.3370 11.38016
395.8192 10.49918
396.3013 9.715851
396.7834 8.870789
397.2655 7.187134
397.7476 4.072479
398.2297 1.675995
398.7119 1.785736
399.1940 3.079803
399.6761 3.909729
400.1582 3.723541
400.6403 3.276154
401.1224 3.504730
401.6046 4.341187
402.0867 4.627533
402.5688 3.873596
403.0509 2.550873
403.5330 1.047607
404.0151 0.6625370
404.4973 1.818604
404.9794 1.726990
405.4615 0.9672240
405.9436 0.5085450
406.4257 0.4689330
406.9078 0.6884160
407.3900 1.278503
407.8721 2.060577
408.3542 2.191101
408.8363 0.8893430
409.3184 0.4375920
409.8005 0.7477720
410.2827 0.2910460
410.7648 8.1789996E-03
411.2469 0.3271790
411.7290 0.9105530
412.2111 0.7705690
412.6932 0.4980470
413.1754 1.369476
413.6575 1.331543
414.1396 0.9094240
414.6217 0.7683110
415.1038 0.9772030
415.5859 0.9153140
416.0681 0.1446840
416.5502 2.358368
417.0323 3.788696
417.5144 3.874084
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