#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 14:01:57 +0300 (Thu, 26 Apr 2018) $
#$Revision: 615 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000153.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_1000153
loop_
_publ_author_name
'Moore, P. B.'
'Davis, A. M.'
'Van Derveer, D. G.'
'Sen Gutpa, P. K.'
_publ_section_title
;
 Joesmithite, a plumbous amphibole revisited and comments on bond valences
 Locality: Langban, Sweden
;
_journal_name_full               'Mineralogy and Petrology'
_journal_page_first              97
_journal_page_last               113
_journal_paper_doi               10.1007/BF01163090
_journal_volume                  48
_journal_year                    1993
_chemical_compound_source        R120157
_chemical_formula_sum
'Be1.694 Ca1.9 Fe2.449 H2 K0.072 Mg2.551 Na0.1 O24 Pb0.928 Si6.306'
_chemical_name_mineral           Joesmithite
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2ya'
_symmetry_space_group_name_H-M   'P 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.95
_cell_angle_gamma                90
_cell_length_a                   9.915
_cell_length_b                   17.951
_cell_length_c                   5.243
_cell_volume                     897.246
_exptl_crystal_density_diffrn    3.889
_cod_original_formula_sum
'(Pb.928 K.072) Mg2.551 Fe2.449 (Ca1.9 Na.1) Si6.306 Be1.694 O24 H2'
_cod_database_code               9012396
_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            R120157.rod
_rod_data_source.block           3500000
_rod_database.code               1000153
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 9012396 COD http://www.crystallography.net/cod/9012396.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
93.97052 0.0000000E+00
94.45264 1.142731
94.93475 1.213135
95.41687 1.226257
95.89898 0.9475400
96.38110 0.8652650
96.86321 1.273346
97.34533 2.050781
97.82745 2.480621
98.30956 2.560669
98.79168 2.216217
99.27380 2.068848
99.75591 2.107605
100.2380 2.216125
100.7201 2.505402
101.2023 3.747772
101.6844 4.353424
102.1665 4.311096
102.6486 4.459106
103.1307 4.349701
103.6128 3.760162
104.0950 2.704987
104.5771 1.739471
105.0592 1.185822
105.5413 0.8794860
106.0234 0.6401060
106.5055 0.4161680
106.9877 0.2355650
107.4698 1.6170000E-03
107.9519 0.7115780
108.4340 1.121185
108.9161 0.7516480
109.3982 0.1959840
109.8804 1.159607
110.3625 1.578003
110.8446 1.272400
111.3267 1.698639
111.8088 3.404327
112.2909 5.320129
112.7731 7.095612
113.2552 8.605255
113.7373 9.827484
114.2194 10.72379
114.7015 11.26031
115.1836 11.43079
115.6658 11.16617
116.1479 10.59219
116.6300 9.732819
117.1121 8.573669
117.5942 7.316132
118.0763 6.507324
118.5584 6.378937
119.0406 6.106903
119.5227 5.259979
120.0048 4.054718
120.4869 3.080627
120.9690 2.619476
121.4511 2.573700
121.9333 2.643066
122.4154 2.908966
122.8975 3.148315
123.3796 3.045227
123.8617 2.525085
124.3438 2.264160
124.8260 2.623901
125.3081 3.403625
125.7902 4.537323
126.2723 6.076447
126.7544 7.857056
127.2365 9.476563
127.7187 10.75787
128.2008 12.19318
128.6829 13.96637
129.1650 15.95218
129.6471 17.99905
130.1292 20.03696
130.6114 22.05624
131.0935 23.89166
131.5756 25.68393
132.0577 27.15225
132.5398 28.12317
133.0219 28.68671
133.5041 29.06165
133.9862 29.44916
134.4683 29.88947
134.9504 30.00995
135.4325 29.98410
135.9146 29.58472
136.3968 28.58914
136.8789 27.01599
137.3610 25.13046
137.8431 23.16843
138.3252 21.04953
138.8073 19.34247
139.2895 18.36467
139.7716 17.69624
140.2537 16.78760
140.7358 15.46545
141.2179 14.13547
141.7000 13.43607
142.1821 13.30743
142.6643 13.13455
143.1464 12.54393
143.6285 11.67914
144.1106 11.06924
144.5927 10.93439
145.0748 10.99150
145.5570 10.92593
146.0391 10.73738
146.5212 10.64111
147.0033 10.88039
147.4854 11.50298
147.9675 12.05553
148.4497 12.20879
148.9318 12.43515
149.4139 12.97798
149.8960 13.88831
150.3781 15.06470
150.8602 16.36766
151.3424 17.88486
151.8245 19.51137
152.3066 20.96747
152.7887 22.52316
153.2708 24.43259
153.7529 26.78175
154.2351 29.44449
154.7172 32.05345
155.1993 34.89275
155.6814 37.26761
156.1635 39.02441
156.6456 40.35136
157.1278 41.52003
157.6099 42.68771
158.0920 43.70334
158.5741 43.88521
159.0562 43.23003
159.5383 41.92596
160.0205 39.70218
160.5026 36.83441
160.9847 33.89059
161.4668 31.14311
161.9489 28.60207
162.4310 26.35101
162.9131 24.42896
163.3953 22.73907
163.8774 21.24525
164.3595 19.94583
164.8416 18.87398
165.3237 18.18359
165.8058 17.67528
166.2880 16.94736
166.7701 15.67834
167.2522 14.50641
167.7343 14.25467
168.2164 15.12570
168.6985 15.88695
169.1807 15.72403
169.6628 15.06302
170.1449 14.33072
170.6270 13.59869
171.1091 12.93761
171.5912 12.54379
172.0734 12.52125
172.5555 12.60092
173.0376 12.63672
173.5197 12.69073
174.0018 12.86037
174.4839 13.22977
174.9661 13.76131
175.4482 14.22566
175.9303 14.68594
176.4124 14.98714
176.8945 15.02208
177.3766 14.87563
177.8588 14.69017
178.3409 14.56094
178.8230 14.48940
179.3051 14.48874
179.7872 14.72375
180.2693 14.86884
180.7515 14.70137
181.2336 14.33571
181.7157 14.09966
182.1978 14.32176
182.6799 15.10078
183.1620 15.33809
183.6441 14.71986
184.1263 13.97469
184.6084 13.45267
185.0905 13.15324
185.5726 12.86546
186.0547 12.39174
186.5368 11.69753
187.0190 11.08170
187.5011 10.59439
187.9832 10.15457
188.4653 9.652283
188.9474 9.088821
189.4296 8.653687
189.9117 8.644058
190.3938 9.039856
190.8759 9.124268
191.3580 8.424789
191.8401 7.561432
192.3223 7.341263
192.8044 7.957932
193.2865 8.674072
193.7686 8.745621
194.2507 8.334473
194.7328 7.827423
195.2150 7.247971
195.6971 6.662643
196.1792 6.190170
196.6613 5.829102
197.1434 5.614227
197.6255 5.641922
198.1077 5.829819
198.5898 5.978165
199.0719 6.056915
199.5540 6.028824
200.0361 5.674591
200.5182 4.624359
201.0004 3.768066
201.4825 3.769516
201.9646 4.340790
202.4467 4.767715
202.9288 4.448898
203.4109 3.440796
203.8930 2.727753
204.3752 2.579391
204.8573 2.477417
205.3394 2.263016
205.8215 1.941071
206.3036 1.551392
206.7857 1.111710
207.2679 0.6168060
207.7500 0.1772310
208.2321 0.4427030
208.7142 0.7823490
209.1963 0.4088900
209.6784 0.4332580
210.1606 1.104477
210.6427 0.9754490
211.1248 8.8486001E-02
211.6069 0.7391970
212.0890 0.7181240
212.5711 0.5658870
213.0533 0.4416660
213.5354 0.3706820
214.0175 0.3432460
214.4996 0.3701480
214.9817 0.4877930
215.4638 0.3660890
215.9460 0.3246610
216.4281 0.9053650
216.9102 0.9523930
217.3923 0.5331730
217.8744 3.7505999E-02
218.3565 0.2132260
218.8387 0.3207090
219.3208 5.1529001E-02
219.8029 1.454956
220.2850 2.874634
220.7671 3.708725
221.2492 3.928436
221.7314 3.835007
222.2135 3.633667
222.6956 3.353043
223.1777 3.313904
223.6598 3.655243
224.1419 4.044754
224.6240 4.288696
225.1062 4.391006
225.5883 4.451859
226.0704 4.503128
226.5525 4.557724
227.0346 4.712692
227.5167 5.019424
227.9989 5.368561
228.4810 5.726364
228.9631 6.109024
229.4452 6.388214
229.9273 6.348694
230.4094 6.100647
230.8916 5.981674
231.3737 6.170914
231.8558 6.460068
232.3379 6.546188
232.8200 6.371033
233.3021 6.309525
233.7843 6.737564
234.2664 7.421219
234.7485 8.000656
235.2306 8.274155
235.7127 8.498169
236.1948 9.064331
236.6770 10.05489
237.1591 11.05269
237.6412 11.91229
238.1233 12.64708
238.6054 13.22517
239.0875 13.57474
239.5697 13.84325
240.0518 14.22607
240.5339 14.68810
241.0160 15.40208
241.4981 16.73723
241.9802 18.21870
242.4624 19.38712
242.9445 20.06291
243.4266 20.42856
243.9087 20.75032
244.3908 20.97063
244.8729 21.30843
245.3550 21.98903
245.8372 22.71802
246.3193 23.26894
246.8014 23.56862
247.2835 23.62927
247.7656 23.40465
248.2477 22.69414
248.7299 22.18616
249.2120 22.35544
249.6941 22.54691
250.1762 22.18451
250.6583 21.10385
251.1404 19.69646
251.6226 18.62852
252.1047 18.14088
252.5868 17.46356
253.0689 16.42484
253.5510 15.27347
254.0331 14.12474
254.5153 13.03085
254.9974 12.04109
255.4795 11.19400
255.9616 10.37473
256.4437 10.00520
256.9258 10.57594
257.4080 11.16469
257.8901 11.11049
258.3722 10.32445
258.8543 9.226913
259.3364 8.373779
259.8185 7.828842
260.3007 7.401062
260.7828 6.972641
261.2649 6.705292
261.7470 6.810211
262.2291 7.247925
262.7112 7.717773
263.1934 7.853302
263.6755 7.505188
264.1576 7.361298
264.6397 7.728317
265.1218 8.004456
265.6039 7.750443
266.0861 7.016510
266.5682 6.225769
267.0503 5.822708
267.5324 5.866302
268.0145 5.941132
268.4966 6.247086
268.9788 6.390228
269.4609 6.086884
269.9430 5.429596
270.4251 4.701035
270.9072 4.118729
271.3893 3.690735
271.8715 3.258286
272.3536 2.624878
272.8357 2.169312
273.3178 2.347946
273.7999 2.900269
274.2820 3.022690
274.7642 2.069168
275.2463 0.1856540
275.7284 0.7302860
276.2105 1.6113000E-02
276.6926 0.7172850
277.1747 0.7454070
277.6568 0.3017270
278.1389 0.1100010
278.6211 0.2098690
279.1032 8.8134997E-02
279.5853 0.1283420
280.0674 0.6371610
280.5495 0.9228060
281.0316 0.5875090
281.5138 6.4285003E-02
281.9959 0.4725650
282.4780 0.3789980
282.9601 3.6621001E-02
283.4422 0.3258210
283.9243 0.5136720
284.4065 0.5654910
284.8886 0.3538820
285.3707 3.0594001E-02
285.8528 0.1414640
286.3349 5.5847000E-02
286.8170 7.8552000E-02
287.2992 0.1584630
287.7813 0.9675750
288.2634 1.448853
288.7455 1.172882
289.2276 0.6106410
289.7097 0.3389280
290.1919 0.4921420
290.6740 0.8291020
291.1561 1.057068
291.6382 1.148865
292.1203 1.352448
292.6024 1.731598
293.0846 2.208420
293.5667 2.812225
294.0488 3.540054
294.5309 4.066635
295.0130 3.989944
295.4951 3.302200
295.9773 3.142242
296.4594 3.937256
296.9415 4.997894
297.4236 5.934143
297.9057 6.704224
298.3878 7.170776
298.8700 7.092728
299.3521 6.606033
299.8342 6.585205
300.3163 7.414612
300.7984 8.349548
301.2805 9.059738
301.7627 9.530060
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302.7269 9.426849
303.2090 8.929718
303.6911 8.927750
304.1732 9.765915
304.6554 10.52597
305.1375 10.68054
305.6196 10.42255
306.1017 10.30585
306.5838 10.59819
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308.5123 10.44586
308.9944 9.894989
309.4765 9.325516
309.9586 8.860962
310.4408 8.497330
310.9229 8.326569
311.4050 8.645584
311.8871 9.487778
312.3692 10.00664
312.8513 9.863815
313.3335 9.391495
313.8156 8.925293
314.2977 8.505402
314.7798 8.165222
315.2619 7.934967
315.7440 7.819687
316.2262 7.814606
316.7083 8.056305
317.1904 8.311310
317.6725 8.307831
318.1546 8.065842
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319.6010 8.950333
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320.5652 9.500336
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321.5294 8.915543
322.0115 8.155289
322.4937 7.605057
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323.9400 7.854645
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324.9042 7.685287
325.3864 7.821182
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326.3506 8.337631
326.8327 8.570633
327.3148 8.763657
327.7969 8.884811
328.2791 8.926666
328.7612 8.961258
329.2433 9.079285
329.7254 9.162186
330.2075 9.019714
330.6896 8.619888
331.1718 8.192429
331.6539 7.933075
332.1360 7.859146
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333.1002 8.510620
333.5823 8.976730
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335.9929 8.393356
336.4750 8.363998
336.9572 8.125961
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337.9214 7.724884
338.4035 7.613480
338.8856 7.368713
339.3677 6.893555
339.8499 6.266159
340.3320 5.754654
340.8141 5.395950
341.2962 5.020844
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343.7068 3.055405
344.1889 3.022934
344.6710 3.418320
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345.6353 2.925461
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349.0101 1.140884
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360.5808 1.087158
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362.0272 0.4387820
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364.9199 0.7749180
365.4020 0.7558900
365.8841 3.8437001E-02
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368.2947 0.8571780
368.7768 1.663544
369.2589 1.939606
369.7411 1.458908
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370.7053 0.5910800
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372.6338 1.766800
373.1159 1.979401
373.5980 1.818756
374.0801 1.775101
374.5622 1.963196
375.0443 2.130966
375.5265 2.190308
376.0086 2.177353
376.4907 2.126587
376.9728 2.026108
377.4549 1.964005
377.9370 2.184921
378.4192 2.827652
378.9013 3.358688
379.3834 3.565521
379.8655 3.646271
380.3476 3.756760
380.8297 3.927353
381.3119 4.052185
381.7940 4.010635
382.2761 3.805740
382.7582 3.561432
383.2403 3.166046
383.7224 2.898926
384.2046 3.026581
384.6867 3.445892
385.1688 3.783081
385.6509 3.774750
386.1330 3.554626
386.6151 3.396210
387.0973 3.280045
387.5794 3.298676
388.0615 3.687302
388.5436 4.196091
389.0257 4.423737
389.5078 4.125320
389.9900 3.839584
390.4721 4.225342
390.9542 5.164856
391.4363 5.704803
391.9184 5.442886
392.4005 4.744812
392.8827 4.030807
393.3648 3.268173
393.8469 2.789734
394.3290 2.821808
394.8111 3.190262
395.2932 3.715515
395.7754 4.404129
396.2575 4.954712
396.7396 5.060318
397.2217 4.745728
397.7038 4.495132
398.1859 4.341827
398.6681 4.236496
399.1501 4.165558
399.6323 4.125748
400.1144 4.105377
400.5965 4.111084
401.0786 4.109924
401.5607 4.019791
402.0428 3.703735
402.5250 3.578400
403.0071 3.916458
403.4892 4.384827
403.9713 4.611038
404.4534 4.510178
404.9355 4.199890
405.4177 3.772736
405.8998 3.153763
406.3819 2.838928
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