#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:57:27 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1020 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000476.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_1000476
loop_
_publ_author_name
'Tait, K. T.'
'Yang, H.'
'Downs, R. T.'
'Li, C.'
'Pinch, W. W.'
_publ_section_title
;
 The crystal structure of esperite, with a revised chemical formula,
 PbCa2(ZnSiO4)3, isostructural with beryllonite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              699
_journal_page_last               705
_journal_paper_doi               10.2138/am.2010.3415
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source        '3 Franklin, New Jersey, USA'
_chemical_formula_sum            'Ca2 O12 Pb Si3 Zn3'
_chemical_name_mineral           Esperite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.050
_cell_angle_gamma                90
_cell_length_a                   8.7889
_cell_length_b                   8.2685
_cell_length_c                   15.2535
_cell_volume                     1108.487
_exptl_crystal_density_diffrn    4.553
_cod_original_formula_sum        'Pb Ca2 Zn3 Si3 O12'
_cod_database_code               9016115
_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            R100219.rod
_rod_data_source.block           3500000
_rod_database.code               1000476
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 9016115 COD http://www.crystallography.net/cod/9016115.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
136.8363 0.0000000E+00
137.3184 0.6125790
137.8005 2.5460001E-03
138.2826 0.6111570
138.7648 1.169967
139.2469 1.274865
139.7290 1.021420
140.2111 1.379230
140.6932 2.162540
141.1753 2.796355
141.6575 2.725650
142.1396 1.642844
142.6217 0.6766340
143.1038 1.6098000E-02
143.5859 0.4496490
144.0681 0.3051090
144.5502 0.8672310
145.0323 2.218508
145.5144 2.704018
145.9965 1.510195
146.4786 0.6929340
146.9608 0.7642730
147.4429 1.862804
147.9250 3.310177
148.4071 5.676640
148.8892 8.184484
149.3713 9.613832
149.8535 8.673180
150.3356 7.946823
150.8177 8.209555
151.2998 10.10535
151.7819 11.59796
152.2640 12.69780
152.7462 13.40015
153.2283 13.67163
153.7104 12.63994
154.1925 11.89174
154.6746 12.02701
155.1567 13.54224
155.6389 15.14600
156.1210 16.44544
156.6031 17.71416
157.0852 19.63475
157.5673 22.00629
158.0495 25.28295
158.5316 29.84765
159.0137 36.98753
159.4958 43.62625
159.9779 49.06219
160.4600 53.42084
160.9422 57.11242
161.4243 60.71373
161.9064 63.44209
162.3885 64.75911
162.8706 64.30324
163.3527 62.70733
163.8349 59.37850
164.3170 54.77152
164.7991 51.05985
165.2812 48.73495
165.7633 47.99442
166.2454 49.04070
166.7276 52.72793
167.2097 57.50234
167.6918 62.88409
168.1739 68.74879
168.6560 74.49905
169.1381 81.31002
169.6203 87.68134
170.1024 90.26432
170.5845 89.18023
171.0666 84.63837
171.5487 74.47369
172.0309 59.33060
172.5130 45.06527
172.9951 35.70461
173.4772 29.82496
173.9593 25.23080
174.4414 21.44007
174.9236 18.30076
175.4057 15.76362
175.8878 13.79497
176.3699 12.26755
176.8520 11.15152
177.3341 10.37205
177.8163 9.771854
178.2984 9.460171
178.7805 9.228058
179.2626 8.752102
179.7447 8.025173
180.2268 7.170067
180.7090 6.075993
181.1911 4.902378
181.6732 4.169363
182.1553 4.527185
182.6374 5.433130
183.1195 5.628195
183.6017 4.997341
184.0838 4.184793
184.5659 3.749826
185.0480 3.708759
185.5301 4.157303
186.0123 5.619734
186.4944 7.654758
186.9765 8.593582
187.4586 8.161634
187.9407 7.493275
188.4228 8.249691
188.9050 10.31611
189.3871 12.61346
189.8692 14.89813
190.3513 17.03455
190.8334 18.23923
191.3155 18.31354
191.7977 17.86000
192.2798 17.75345
192.7619 17.99205
193.2440 18.38254
193.7261 19.12890
194.2082 20.13869
194.6904 20.32643
195.1725 19.62376
195.6546 18.08618
196.1367 15.58940
196.6188 12.04082
197.1009 8.680786
197.5831 6.019299
198.0652 3.971794
198.5473 2.659243
199.0294 2.371353
199.5115 2.630287
199.9937 2.519154
200.4758 2.024883
200.9579 1.268112
201.4400 6.2435001E-02
201.9221 1.658222
202.4042 2.531660
202.8864 2.280449
203.3685 1.365715
203.8506 0.9126660
204.3327 1.053776
204.8148 1.140831
205.2969 0.7797780
205.7791 9.6767001E-02
206.2612 0.9273570
206.7433 1.682121
207.2254 2.371441
207.7075 2.995880
208.1896 3.519108
208.6718 4.089108
209.1539 4.795837
209.6360 5.642982
210.1181 6.539661
210.6002 7.399662
211.0823 8.348896
211.5645 9.925117
212.0466 12.56063
212.5287 14.81975
213.0108 15.77924
213.4929 15.04781
213.9750 14.61949
214.4572 14.73446
214.9393 15.16707
215.4214 15.17426
215.9035 14.47159
216.3856 13.92258
216.8678 13.91331
217.3499 14.34756
217.8320 15.70351
218.3141 18.39509
218.7962 21.89554
219.2783 24.45086
219.7605 25.58703
220.2426 26.59641
220.7247 28.16518
221.2068 30.49200
221.6889 32.73952
222.1710 34.60394
222.6532 36.42391
223.1353 39.37517
223.6174 44.35439
224.0995 49.02539
224.5816 52.12263
225.0637 53.03900
225.5459 53.87862
226.0280 54.08252
226.5101 54.38924
226.9922 57.26076
227.4743 64.09346
227.9564 71.31844
228.4386 77.29736
228.9207 81.40774
229.4028 85.61646
229.8849 90.58260
230.3670 95.52933
230.8492 98.34679
231.3313 98.42801
231.8134 97.27003
232.2955 95.42921
232.7776 92.68374
233.2597 89.89771
233.7419 87.43579
234.2240 84.83601
234.7061 80.84026
235.1882 74.69935
235.6703 68.33463
236.1524 62.43946
236.6346 56.98928
237.1167 52.10042
237.5988 47.62069
238.0809 43.73034
238.5630 40.92678
239.0451 39.98088
239.5273 38.99219
240.0094 37.23335
240.4915 34.61924
240.9736 31.33587
241.4557 26.81121
241.9378 21.84769
242.4200 18.19646
242.9021 16.48878
243.3842 15.05233
243.8663 13.25116
244.3484 10.90128
244.8306 8.697517
245.3127 6.504215
245.7948 4.544407
246.2769 3.267357
246.7590 2.858753
247.2411 2.842716
247.7233 3.190655
248.2054 4.159271
248.6875 4.510170
249.1696 4.027065
249.6517 3.071968
250.1338 2.221725
250.6160 1.540230
251.0981 0.8414840
251.5802 1.5530000E-02
252.0623 1.036507
252.5444 1.709217
253.0265 1.849941
253.5087 1.732841
253.9908 1.809525
254.4729 2.391930
254.9550 2.498127
255.4371 1.600990
255.9192 0.4773790
256.4014 1.679222
256.8835 1.589108
257.3656 1.072655
257.8477 1.180702
258.3298 2.109703
258.8120 3.157021
259.2941 4.131332
259.7762 4.960102
260.2583 5.660992
260.7404 6.314354
261.2225 7.155361
261.7047 8.378777
262.1868 10.04019
262.6689 11.66383
263.1510 13.32895
263.6331 15.06880
264.1152 15.97930
264.5974 15.67046
265.0795 15.12309
265.5616 15.25809
266.0437 16.18975
266.5258 17.45691
267.0079 19.08582
267.4901 21.02871
267.9722 22.70540
268.4543 24.08318
268.9364 25.30167
269.4185 26.45372
269.9006 27.51823
270.3828 28.59862
270.8649 29.68729
271.3470 30.81211
271.8291 32.05235
272.3112 33.31423
272.7933 34.97891
273.2755 37.46320
273.7576 40.91917
274.2397 44.11679
274.7218 46.82447
275.2039 49.20473
275.6860 51.70815
276.1682 54.34677
276.6503 57.15354
277.1324 60.34626
277.6145 63.96933
278.0966 67.03945
278.5787 69.48282
279.0609 71.33414
279.5430 72.63150
280.0251 73.33282
280.5072 73.71759
280.9893 74.17057
281.4715 74.68523
281.9536 73.80975
282.4357 71.13069
282.9178 67.72688
283.3999 65.57664
283.8820 64.75392
284.3642 63.80686
284.8463 61.99594
285.3284 59.37749
285.8105 56.68718
286.2926 53.85595
286.7747 51.13420
287.2569 48.73649
287.7390 46.67301
288.2211 45.24559
288.7032 44.87457
289.1853 45.28948
289.6674 45.16754
290.1496 44.42259
290.6317 43.70749
291.1138 43.93588
291.5959 44.96344
292.0780 45.73562
292.5602 45.62377
293.0423 45.13382
293.5244 45.84205
294.0065 47.80287
294.4886 49.63578
294.9707 49.88336
295.4529 48.91859
295.9350 48.08508
296.4171 47.77224
296.8992 47.73862
297.3813 47.47232
297.8634 47.01159
298.3456 46.79107
298.8277 47.32856
299.3098 48.34204
299.7919 49.14271
300.2740 49.39365
300.7561 49.71841
301.2383 51.20906
301.7204 53.61969
302.2025 55.72891
302.6846 56.33243
303.1667 56.28617
303.6488 57.11317
304.1310 59.37610
304.6131 61.45897
305.0952 62.00036
305.5773 61.09637
306.0594 59.01536
306.5415 56.04323
307.0237 51.89144
307.5058 45.65085
307.9879 36.94294
308.4700 28.44958
308.9521 21.89183
309.4343 16.95187
309.9164 12.85625
310.3985 9.637653
310.8806 6.924011
311.3627 4.364334
311.8448 1.906403
312.3270 8.6212002E-02
312.8091 1.081223
313.2912 1.487427
313.7733 1.815033
314.2554 2.525341
314.7375 3.141754
315.2197 3.474445
315.7018 3.520191
316.1839 3.245773
316.6660 2.023422
317.1481 0.7892000
317.6302 0.3596310
318.1124 1.832439
318.5945 3.002300
319.0766 3.020142
319.5587 2.117039
320.0408 1.103745
320.5229 1.1139000E-02
321.0051 0.9666100
321.4872 1.689682
321.9693 1.916553
322.4514 2.287277
322.9335 3.259407
323.4156 4.436890
323.8978 5.056217
324.3799 4.095146
324.8620 3.329639
325.3441 3.487835
325.8262 4.970158
326.3083 6.263832
326.7905 6.993484
327.2726 7.562199
327.7547 8.454529
328.2368 9.849121
328.7189 11.40622
329.2010 13.04385
329.6832 14.72887
330.1653 16.69826
330.6474 19.19646
331.1295 21.80059
331.6116 24.17205
332.0938 25.97634
332.5759 28.10275
333.0580 30.78491
333.5401 33.94200
334.0222 36.70809
334.5043 38.66674
334.9865 40.83913
335.4686 43.95338
335.9507 48.48291
336.4328 52.59280
336.9149 55.74849
337.3970 58.69846
337.8792 63.35354
338.3613 70.12491
338.8434 77.60628
339.3255 85.39675
339.8076 93.61122
340.2898 101.4362
340.7719 108.8407
341.2540 116.0308
341.7361 123.3088
342.2182 130.4803
342.7003 138.3937
343.1825 147.2477
343.6646 157.0784
344.1467 167.5272
344.6288 178.6734
345.1109 190.4845
345.5930 203.1096
346.0752 216.4141
346.5573 230.5325
347.0394 245.3806
347.5215 261.2567
348.0036 279.6547
348.4857 300.4586
348.9679 321.8759
349.4500 342.6999
349.9321 363.3112
350.4142 384.8845
350.8963 408.0408
351.3784 431.3250
351.8606 453.2203
352.3427 473.4470
352.8248 491.4274
353.3069 508.3679
353.7890 522.0486
354.2711 529.9910
354.7533 532.0660
355.2354 528.0035
355.7175 516.3744
356.1996 498.5073
356.6817 476.7388
357.1638 450.0455
357.6460 421.3390
358.1281 392.1051
358.6102 362.4746
359.0923 332.5352
359.5744 301.0301
360.0565 270.2336
360.5387 242.3096
361.0208 218.1483
361.5029 196.3802
361.9850 177.1041
362.4671 160.0609
362.9492 144.4731
363.4314 130.0556
363.9135 116.8653
364.3956 105.0667
364.8777 94.77969
365.3598 85.59207
365.8419 77.50307
366.3241 70.43005
366.8062 64.31206
367.2883 59.56131
367.7704 55.35615
368.2526 51.63011
368.7347 48.47972
369.2168 45.13233
369.6989 41.21593
370.1810 37.28331
370.6631 33.70535
371.1453 30.31510
371.6274 27.62914
372.1095 25.92480
372.5916 25.02782
373.0737 23.80228
373.5558 22.12299
374.0380 20.34973
374.5201 18.64843
375.0022 16.92580
375.4843 15.62220
375.9664 14.76909
376.4485 14.13829
376.9307 13.25873
377.4128 12.11190
377.8949 11.11065
378.3770 10.48202
378.8591 10.15438
379.3412 9.677776
379.8234 9.049694
380.3055 8.294758
380.7876 7.091099
381.2697 5.508148
381.7518 5.068577
382.2339 6.637707
382.7161 9.236847
383.1982 10.29824
383.6803 9.875732
384.1624 9.812775
384.6445 12.03306
385.1266 15.64129
385.6088 18.39509
386.0909 19.86723
386.5730 20.70071
387.0551 21.00582
387.5372 21.15289
388.0193 22.22678
388.5015 25.29357
388.9836 29.30319
389.4657 33.20737
389.9478 36.94638
390.4299 40.69405
390.9120 44.22663
391.3942 47.95284
391.8763 52.32762
392.3584 57.64033
392.8405 63.51684
393.3226 69.54420
393.8047 75.88718
394.2869 83.30106
394.7690 92.41512
395.2511 102.4627
395.7332 113.0216
396.2154 124.1525
396.6975 135.4804
397.1796 148.1474
397.6617 160.8902
398.1438 171.4627
398.6259 181.0088
399.1081 187.0884
399.5902 189.2870
400.0723 187.7864
400.5544 181.2267
401.0365 167.2231
401.5186 149.8597
402.0008 132.4099
402.4829 113.9780
402.9650 96.89975
403.4471 81.27498
403.9292 67.14491
404.4113 55.10086
404.8935 45.34942
405.3756 37.01897
405.8577 29.56939
406.3398 22.96429
406.8219 18.13467
407.3040 15.38213
407.7862 13.83852
408.2683 12.50341
408.7504 11.39888
409.2325 9.776192
409.7146 6.999878
410.1967 3.614716
410.6789 1.342785
411.1610 0.2096020
411.6431 0.4999120
412.1252 1.360352
412.6073 2.280048
413.0894 2.965958
413.5716 3.295948
414.0537 3.488819
414.5358 3.938824
415.0179 4.502243
415.5000 4.722122
415.9821 3.980309
416.4643 2.966839
416.9464 2.492516
417.4285 2.659668
417.9106 2.733471
418.3927 1.961182
418.8748 0.9179690
419.3570 0.3001820
419.8391 1.105389
420.3212 1.636948
420.8033 0.9957160
421.2854 0.5998990
421.7675 2.118122
422.2497 3.276115
422.7318 4.253201
423.2139 5.021557
423.6960 5.104012
424.1781 6.020580
424.6602 8.668224
425.1424 12.04963
425.6245 14.65107
426.1066 15.31454
426.5887 16.61157
427.0709 19.14179
427.5530 22.90422
428.0351 26.88477
428.5172 31.11773
428.9993 35.58599
429.4814 40.34701
429.9636 45.50840
430.4457 50.63241
430.9278 55.91496
431.4099 60.91098
431.8920 65.07497
432.3741 68.64777
432.8563 69.75559
433.3384 67.03458
433.8205 60.89265
434.3026 53.83515
434.7847 45.68541
435.2668 37.76497
435.7490 31.16438
436.2311 25.83409
436.7132 21.90111
437.1953 19.65357
437.6774 18.44129
438.1595 17.40141
438.6417 16.60198
439.1238 16.32541
439.6059 16.99263
440.0880 18.14110
440.5701 19.26194
441.0522 20.28647
441.5344 21.50380
442.0165 22.96806
442.4986 24.78095
442.9807 27.10257
443.4628 30.09496
443.9449 33.50111
444.4271 37.19243
444.9092 41.17849
445.3913 45.60778
445.8734 50.22048
446.3555 55.38021
446.8376 61.25116
447.3198 67.93460
447.8019 75.20556
448.2840 82.54978
448.7661 90.63354
449.2482 100.4040
449.7303 111.9780
450.2125 124.6837
450.6946 138.8391
451.1767 154.4512
451.6588 169.4083
452.1409 183.3758
452.6230 197.7340
453.1052 213.4148
453.5873 230.6471
454.0694 248.0222
454.5515 265.4319
455.0337 282.8747
455.5158 299.6961
455.9979 316.1091
456.4800 333.0262
456.9621 350.2456
457.4442 368.5829
457.9264 389.7416
458.4085 413.6326
458.8906 441.0414
459.3727 472.5022
459.8548 507.7525
460.3369 545.5642
460.8191 585.7514
461.3012 629.3442
461.7833 678.8577
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