#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:38:16 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1203 $
#$URL: svn://172.16.1.111/rod/cif/1/00/06/1000617.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_1000617
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        '4 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 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            R100219.rod
_rod_data_source.block           3500000
_rod_database.code               1000617
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
152.3164 0.0000000E+00
152.7985 0.1741940
153.2806 0.1433110
153.7627 1.6998000E-02
154.2448 0.4038090
154.7269 2.138580
155.2091 5.419983
155.6912 10.01169
156.1733 16.01208
156.6554 23.33530
157.1375 31.51089
157.6196 39.93655
158.1018 48.37115
158.5839 58.07663
159.0660 72.13843
159.5481 85.25406
160.0302 94.33557
160.5123 98.49551
160.9945 98.59512
161.4766 96.04636
161.9587 89.03342
162.4408 81.67624
162.9229 72.31598
163.4050 63.77115
163.8871 58.12085
164.3693 56.00238
164.8514 57.35959
165.3335 62.69144
165.8156 73.61649
166.2977 85.46857
166.7798 100.0646
167.2620 116.2613
167.7441 131.5755
168.2262 146.5970
168.7083 158.6973
169.1904 159.3630
169.6725 147.0733
170.1547 130.4058
170.6368 109.9512
171.1189 86.74979
171.6010 65.16757
172.0831 46.82611
172.5652 32.22351
173.0474 20.65173
173.5295 12.54373
174.0116 6.704010
174.4937 2.761139
174.9758 1.143341
175.4579 0.9220890
175.9401 1.609344
176.4222 2.665253
176.9043 3.532928
177.3864 4.733292
177.8685 5.782730
178.3506 5.987350
178.8328 5.405182
179.3149 5.908234
179.7970 11.20531
180.2791 17.02980
180.7612 18.87434
181.2433 14.64642
181.7255 7.637650
182.2076 5.275589
182.6897 10.99242
183.1718 15.28052
183.6539 14.95457
184.1360 12.86223
184.6181 12.10968
185.1003 14.25224
185.5824 18.27887
186.0645 20.60495
186.5466 20.50464
187.0287 19.31714
187.5108 15.66705
187.9930 11.46536
188.4751 9.205231
188.9572 10.35486
189.4393 14.28934
189.9214 17.56314
190.4035 20.41235
190.8857 22.33801
191.3678 22.90625
191.8499 22.49069
192.3320 21.68842
192.8141 20.83203
193.2962 19.90555
193.7784 18.76669
194.2605 17.85352
194.7426 16.34821
195.2247 13.59894
195.7068 9.958557
196.1889 6.356598
196.6711 3.261841
197.1532 0.7352290
197.6353 1.201691
198.1174 2.381012
198.5995 3.190002
199.0816 3.867035
199.5638 4.398834
200.0459 4.604584
200.5280 4.277283
201.0101 3.661194
201.4922 3.477814
201.9743 4.251190
202.4565 4.943268
202.9386 4.528687
203.4207 2.994904
203.9028 1.507782
204.3849 0.9362790
204.8670 0.6869200
205.3492 0.1050420
205.8313 1.841309
206.3134 3.795807
206.7955 4.957031
207.2776 5.147644
207.7597 5.451508
208.2419 6.466248
208.7240 7.817383
209.2061 9.186523
209.6882 10.48920
210.1703 12.05878
210.6524 13.62045
211.1346 15.27127
211.6167 16.64743
212.0988 17.69144
212.5809 18.40573
213.0630 18.63043
213.5451 18.20941
214.0273 17.62076
214.5094 18.04886
214.9915 20.26544
215.4736 22.12961
215.9557 22.82553
216.4378 23.19122
216.9200 24.02487
217.4021 25.67096
217.8842 28.00037
218.3663 30.63113
218.8484 33.55374
219.3305 36.85794
219.8127 40.95929
220.2948 45.26004
220.7769 49.11426
221.2590 52.22672
221.7411 54.83289
222.2232 57.61627
222.7054 60.09048
223.1875 63.42505
223.6696 68.15768
224.1517 73.61896
224.6338 79.03165
225.1159 84.06824
225.5980 88.88196
226.0802 93.92203
226.5623 98.10059
227.0444 103.8457
227.5265 113.2425
228.0086 123.7729
228.4907 132.1423
228.9729 136.9625
229.4550 139.0596
229.9371 140.3723
230.4192 141.8621
230.9013 141.2159
231.3834 136.8356
231.8656 130.3404
232.3477 124.1505
232.8298 119.2164
233.3119 114.8542
233.7940 109.4464
234.2761 102.5812
234.7583 95.97165
235.2404 89.67865
235.7225 83.98175
236.2046 79.49234
236.6867 76.57657
237.1688 74.48196
237.6510 72.07205
238.1331 69.49997
238.6152 66.12192
239.0973 61.25192
239.5794 55.39340
240.0615 49.60968
240.5437 44.09738
241.0258 39.10028
241.5079 34.97571
241.9900 31.64151
242.4721 28.82516
242.9542 26.56647
243.4364 24.77063
243.9185 23.07407
244.4006 21.17767
244.8827 19.81253
245.3648 20.28027
245.8469 22.27585
246.3290 23.34030
246.8112 21.49475
247.2933 17.74582
247.7754 15.19949
248.2575 14.68277
248.7396 14.70026
249.2217 14.16168
249.7039 13.16782
250.1860 12.02353
250.6681 10.89517
251.1502 9.755493
251.6323 8.398590
252.1144 6.539673
252.5966 4.906982
253.0787 3.803864
253.5608 3.194855
254.0429 3.024475
254.5250 3.500610
255.0071 4.529236
255.4893 5.727295
255.9714 7.385864
256.4535 8.578156
256.9356 8.501007
257.4177 7.700470
257.8998 7.218506
258.3820 7.746246
258.8641 9.098145
259.3462 10.50629
259.8283 11.87726
260.3104 13.36346
260.7925 15.38199
261.2747 17.59106
261.7568 19.36417
262.2389 20.21918
262.7210 20.41110
263.2031 20.69424
263.6852 21.07669
264.1674 21.57098
264.6495 22.04587
265.1316 22.64218
265.6137 23.48657
266.0958 24.62610
266.5779 26.07654
267.0601 27.87772
267.5422 30.04666
268.0243 32.57510
268.5064 36.05698
268.9885 39.52173
269.4706 41.94617
269.9528 42.99768
270.4349 43.35596
270.9170 44.27295
271.3991 45.79749
271.8812 47.86084
272.3633 50.10724
272.8455 52.99442
273.3276 57.14648
273.8097 62.59515
274.2918 68.47437
274.7739 73.36334
275.2560 76.35706
275.7382 80.32346
276.2202 86.46112
276.7024 92.48416
277.1845 96.87695
277.6666 99.50882
278.1487 101.3629
278.6308 103.7549
279.1129 107.3151
279.5951 109.0906
280.0772 108.5675
280.5593 107.0788
281.0414 105.1589
281.5235 102.9109
282.0056 100.2550
282.4878 97.09457
282.9699 93.36115
283.4520 89.49005
283.9341 84.18588
284.4162 79.97104
284.8983 79.03061
285.3805 80.22699
285.8626 80.45447
286.3447 77.14157
286.8268 70.38034
287.3089 65.10864
287.7910 61.21487
288.2732 58.76999
288.7553 58.49939
289.2374 59.69345
289.7195 61.18863
290.2016 62.32697
290.6837 63.10172
291.1659 63.49490
291.6480 63.19287
292.1301 62.86502
292.6122 62.39871
293.0943 62.02277
293.5764 62.28284
294.0586 63.47360
294.5407 64.93457
295.0228 64.87906
295.5049 61.11310
295.9870 58.47263
296.4691 57.89316
296.9513 58.19244
297.4334 58.02466
297.9155 56.96909
298.3976 55.70712
298.8797 55.39203
299.3618 56.64120
299.8440 57.79169
300.3261 58.45197
300.8082 59.24060
301.2903 61.04486
301.7724 63.86884
302.2545 66.52890
302.7367 67.62885
303.2188 66.74710
303.7009 65.65900
304.1830 64.92075
304.6651 63.54059
305.1472 60.86523
305.6294 56.90955
306.1115 52.08148
306.5936 46.71768
307.0757 40.78961
307.5578 34.10068
308.0399 24.85223
308.5221 16.72260
309.0042 11.74460
309.4863 9.255188
309.9684 7.529053
310.4505 5.568451
310.9326 3.366516
311.4148 0.8655700
311.8969 2.836761
312.3790 5.758789
312.8611 7.488098
313.3432 8.113800
313.8253 7.547394
314.3075 5.660248
314.7896 3.097656
315.2717 1.510956
315.7538 1.371887
316.2359 1.523010
316.7180 2.038635
317.2001 2.741058
317.6823 3.648560
318.1644 4.722992
318.6465 5.409760
319.1286 4.821777
319.6107 2.216766
320.0928 9.4116002E-02
320.5750 1.518311
321.0571 2.694519
321.5392 3.093658
322.0213 2.859863
322.5034 3.065063
322.9855 4.974579
323.4677 9.063324
323.9498 11.34888
324.4319 10.31668
324.9140 9.158813
325.3961 9.480103
325.8782 11.09161
326.3604 13.01260
326.8425 14.55878
327.3246 15.78857
327.8067 17.42218
328.2888 19.55582
328.7709 21.92761
329.2531 24.80310
329.7352 27.81342
330.2173 30.21497
330.6994 31.61200
331.1815 32.56299
331.6636 34.60980
332.1458 38.72681
332.6279 42.80841
333.1100 46.54218
333.5921 50.30988
334.0742 54.44174
334.5563 59.01373
335.0385 64.11642
335.5206 69.90540
336.0027 76.93427
336.4848 83.24780
336.9669 88.19577
337.4490 93.07782
337.9312 98.77216
338.4133 105.3120
338.8954 112.1240
339.3775 118.6685
339.8596 124.9177
340.3417 131.4536
340.8239 137.8686
341.3060 144.9095
341.7881 152.3801
342.2702 160.7156
342.7523 170.8975
343.2344 183.6283
343.7166 198.2731
344.1987 211.6116
344.6808 220.0570
345.1629 231.4158
345.6450 246.8146
346.1271 265.2324
346.6093 285.7498
347.0914 307.8352
347.5735 331.4595
348.0556 356.2260
348.5377 383.2553
349.0198 409.6887
349.5020 434.9481
349.9841 460.1190
350.4662 486.4967
350.9483 513.6891
351.4304 539.7437
351.9125 562.8245
352.3947 583.4422
352.8768 598.3596
353.3589 608.4907
353.8410 611.7544
354.3231 606.8734
354.8052 594.3813
355.2874 575.0533
355.7695 549.0037
356.2516 517.0284
356.7337 482.8751
357.2158 444.0529
357.6979 406.3012
358.1800 370.3049
358.6621 336.0751
359.1443 303.5073
359.6264 272.4043
360.1085 243.6046
360.5906 218.5636
361.0727 198.1714
361.5548 178.9370
362.0370 160.0607
362.5191 142.7155
363.0012 127.8257
363.4833 115.2836
363.9654 104.4115
364.4475 94.49524
364.9297 85.50836
365.4118 77.96722
365.8939 72.81750
366.3760 68.17908
366.8581 63.49536
367.3402 58.73029
367.8224 53.79358
368.3045 48.37329
368.7866 42.98175
369.2687 39.46893
369.7508 38.86713
370.2329 37.36713
370.7151 32.98309
371.1972 27.65338
371.6793 23.16663
372.1614 20.12335
372.6435 18.07361
373.1256 16.32098
373.6078 14.73773
374.0899 14.00153
374.5720 15.40924
375.0541 16.61914
375.5362 15.57312
376.0183 12.43689
376.5005 9.339905
376.9826 7.834656
377.4647 7.693909
377.9468 7.451721
378.4289 6.624451
378.9110 6.297607
379.3932 7.687805
379.8753 10.04608
380.3574 11.91296
380.8395 12.24261
381.3216 12.43896
381.8037 14.57697
382.2859 18.69464
382.7680 22.26459
383.2501 24.04413
383.7322 24.71240
384.2143 25.42877
384.6964 26.17554
385.1786 27.07703
385.6607 28.28015
386.1428 29.68530
386.6249 30.97736
387.1070 32.00708
387.5891 33.09949
388.0713 34.30914
388.5534 35.64581
389.0355 38.49756
389.5176 43.80316
389.9997 50.34540
390.4818 56.83783
390.9640 63.27667
391.4461 70.41974
391.9282 78.74432
392.4103 88.27679
392.8924 98.74945
393.3745 108.8998
393.8567 121.2529
394.3388 137.9314
394.8209 157.3739
395.3030 176.6337
395.7851 194.9138
396.2672 211.9871
396.7494 227.9483
397.2315 244.0922
397.7136 255.3276
398.1957 262.5955
398.6778 264.1893
399.1599 257.8889
399.6420 243.9964
400.1241 225.1714
400.6063 203.3412
401.0884 178.3215
401.5705 153.9736
402.0526 128.2106
402.5347 105.2550
403.0168 86.49951
403.4990 71.37555
403.9811 59.45459
404.4632 50.60883
404.9453 43.77509
405.4274 36.29828
405.9095 26.51086
406.3917 19.12433
406.8738 15.14996
407.3559 12.72028
407.8380 11.11353
408.3201 9.869568
408.8022 8.090393
409.2844 4.540344
409.7665 0.9850460
410.2486 4.876038
410.7307 6.225464
411.2128 6.786499
411.6949 6.809875
412.1771 6.455811
412.6592 5.927917
413.1413 5.347168
413.6234 4.583008
414.1055 3.128113
414.5876 0.4324950
415.0698 1.306458
415.5519 1.094727
416.0340 4.6691999E-02
416.5161 1.601196
416.9982 3.677307
417.4803 5.059021
417.9625 4.763489
418.4446 2.915405
418.9267 0.1076050
419.4088 4.280640
419.8909 8.399292
420.3730 11.14294
420.8552 12.76227
421.3373 13.56604
421.8194 13.32599
422.3015 12.65881
422.7836 11.86102
423.2657 10.95007
423.7479 11.44440
424.2300 14.46954
424.7121 18.81525
425.1942 22.27271
425.6763 24.43872
426.1584 27.68689
426.6406 33.36377
427.1227 40.70581
427.6048 48.66949
428.0869 57.21503
428.5690 65.50690
429.0511 72.61481
429.5333 78.53864
430.0154 84.86395
430.4975 93.44128
430.9796 100.7035
431.4617 105.8621
431.9438 108.1373
432.4260 105.1761
432.9081 95.46283
433.3902 81.44580
433.8723 68.79889
434.3544 57.10840
434.8365 47.73065
435.3187 41.80280
435.8008 37.45319
436.2829 33.07898
436.7650 28.59180
437.2471 25.08600
437.7292 23.71326
438.2114 24.53314
438.6935 24.90808
439.1756 23.44910
439.6577 23.19238
440.1398 25.32837
440.6219 29.06274
441.1040 33.43060
441.5862 37.92749
442.0683 42.29266
442.5504 45.78918
443.0325 47.54907
443.5146 51.42059
443.9967 58.39417
444.4789 66.64655
444.9610 75.79980
445.4431 85.79395
445.9252 96.40833
446.4073 106.9919
446.8894 117.6456
447.3716 129.8303
447.8537 144.3687
448.3358 159.0255
448.8179 172.5765
449.3000 185.6133
449.7821 198.7463
450.2643 211.8734
450.7464 226.1509
451.2285 242.9974
451.7106 262.0184
452.1927 280.8081
452.6748 298.8840
453.1570 316.3683
453.6391 332.9037
454.1212 348.7643
454.6033 365.4510
455.0854 382.6490
455.5675 401.2001
456.0497 420.8726
456.5318 442.1382
457.0139 467.7051
457.4960 498.5331
457.9781 535.1334
458.4602 579.8010
458.9424 632.8259
459.4245 691.3241
459.9066 754.5314
460.3887 822.9731
460.8708 899.1828
461.3529 982.5621
461.8351 1067.854
462.3172 1152.149
462.7993 1235.352
463.2814 1303.876
463.7635 1364.226
464.2456 1403.714
464.7278 1417.333
465.2099 1408.965
465.6920 1382.104
466.1741 1338.337
466.6562 1282.074
467.1383 1220.203
467.6205 1151.456
468.1026 1078.652
468.5847 999.4571
469.0668 918.5946
469.5489 835.6429
470.0310 752.7004
470.5132 675.0159
470.9953 605.5721
471.4774 543.6116
471.9595 487.6018
472.4416 438.1669
472.9237 392.8685
473.4059 350.9207
473.8880 313.0875
474.3701 280.5375
474.8522 253.6251
475.3343 230.1416
475.8164 209.9706
476.2986 192.4198
476.7807 175.1384
477.2628 157.5933
477.7449 141.4903
478.2270 128.5129
478.7091 118.2142
479.1913 108.3757
479.6734 98.28979
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1242.864 9.2770001E-03
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1263.594 42.66235
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1265.041 42.25830
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1282.397 7.340576
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1284.326 0.5749510
1284.808 0.0000000E+00
