#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:41:00 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1223 $
#$URL: svn://172.16.1.111/rod/cif/1/00/06/1000635.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_1000635
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            R060552.rod
_rod_data_source.block           3500000
_rod_database.code               1000635
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
104.3898 0.0000000E+00
104.8719 0.7133790
105.3540 1.953400
105.8361 3.847412
106.3182 5.382080
106.8004 6.643951
107.2825 7.112946
107.7646 7.006531
108.2467 6.505493
108.7288 5.845947
109.2109 5.019470
109.6931 6.030273
110.1752 6.677612
110.6573 5.876709
111.1394 3.690857
111.6215 1.442474
112.1036 1.7761000E-02
112.5858 0.4676210
113.0679 0.5159000
113.5500 0.1889040
114.0321 1.342529
114.5142 2.558990
114.9964 3.755249
115.4785 5.494934
115.9606 6.351532
116.4427 6.829346
116.9248 8.647766
117.4069 12.45425
117.8891 17.82916
118.3712 24.53204
118.8533 34.04666
119.3354 42.51273
119.8175 46.83392
120.2996 47.20520
120.7818 45.06903
121.2639 40.94189
121.7460 34.68536
122.2281 27.95645
122.7102 19.39014
123.1923 11.65671
123.6745 6.460754
124.1566 4.010132
124.6387 3.102753
125.1208 1.976563
125.6029 0.1685490
126.0850 0.8000180
126.5672 0.4522400
127.0493 0.3908690
127.5314 1.058044
128.0135 1.432495
128.4956 1.742981
128.9777 2.654541
129.4599 4.045746
129.9420 5.828064
130.4241 8.550354
130.9062 11.60538
131.3883 14.14023
131.8704 15.65680
132.3526 16.19604
132.8347 16.39703
133.3168 16.45331
133.7989 16.15973
134.2810 15.12177
134.7632 13.50143
135.2453 12.11789
135.7274 11.45551
136.2095 11.50421
136.6916 11.90512
137.1737 12.44571
137.6559 13.44696
138.1380 15.55450
138.6201 19.06021
139.1022 22.35175
139.5843 23.90857
140.0664 24.74747
140.5486 26.30002
141.0307 28.97739
141.5128 32.87579
141.9949 38.60516
142.4770 46.83319
142.9591 54.94257
143.4413 62.18793
143.9234 68.93536
144.4055 74.87482
144.8876 80.33060
145.3697 85.74341
145.8518 89.79538
146.3340 92.11996
146.8161 92.15005
147.2982 90.09863
147.7803 86.05750
148.2624 79.77100
148.7445 70.49362
149.2267 57.02850
149.7088 45.99356
150.1909 37.62112
150.6730 30.83588
151.1551 25.34198
151.6372 20.94504
152.1194 17.33536
152.6015 14.03964
153.0836 10.88010
153.5657 9.066498
154.0478 9.074524
154.5299 9.906525
155.0121 10.78586
155.4942 11.55380
155.9763 12.36142
156.4584 13.50455
156.9405 14.99136
157.4226 16.41995
157.9048 17.32883
158.3869 18.15387
158.8690 19.85687
159.3511 22.79208
159.8332 26.35287
160.3153 30.12988
160.7975 34.20599
161.2796 37.26160
161.7617 38.24170
162.2438 37.78384
162.7259 36.71506
163.2081 34.27484
163.6902 32.22385
164.1723 32.18030
164.6544 34.27142
165.1365 36.81143
165.6186 37.46933
166.1008 35.36581
166.5829 35.40897
167.0650 38.97519
167.5471 44.51489
168.0292 51.91525
168.5113 60.96857
168.9935 70.33926
169.4756 78.24310
169.9577 86.32394
170.4398 89.11972
170.9219 85.38367
171.4040 77.79501
171.8862 67.59123
172.3683 55.40831
172.8504 42.43787
173.3325 31.39571
173.8146 23.07938
174.2967 16.25703
174.7789 11.29950
175.2610 7.673782
175.7431 4.884201
176.2252 2.698654
176.7073 1.044312
177.1894 0.2684780
177.6716 1.047058
178.1537 1.779373
178.6358 2.739563
179.1179 3.714447
179.6000 4.277359
180.0821 4.158051
180.5643 3.547455
181.0464 3.056854
181.5285 2.602829
182.0106 2.369995
182.4927 2.807800
182.9748 3.688507
183.4570 3.924728
183.9391 2.733978
184.4212 0.6322630
184.9033 1.083466
185.3854 2.527344
185.8675 3.283371
186.3497 2.511383
186.8318 0.1562500
187.3139 1.575958
187.7960 1.588577
188.2781 0.4205320
188.7602 1.613510
189.2424 4.810516
189.7245 8.068832
190.2066 9.804779
190.6887 9.598755
191.1708 9.347656
191.6530 9.458313
192.1351 9.943390
192.6172 11.07332
193.0993 13.08226
193.5814 15.24341
194.0635 15.97601
194.5457 14.51797
195.0278 13.11095
195.5099 12.36208
195.9920 11.84776
196.4741 11.12343
196.9562 9.977432
197.4384 8.595566
197.9205 7.519241
198.4026 6.874756
198.8847 6.431320
199.3668 6.080429
199.8489 5.913315
200.3311 6.236923
200.8132 7.237671
201.2953 8.519699
201.7774 8.501190
202.2595 4.445053
202.7416 2.109711
203.2238 2.977448
203.7059 5.724594
204.1880 8.693420
204.6701 11.06435
205.1522 12.76410
205.6343 13.36063
206.1165 11.50656
206.5986 10.21480
207.0807 10.20761
207.5628 11.19933
208.0449 12.71021
208.5270 14.55437
209.0092 16.62665
209.4913 18.56494
209.9734 20.51003
210.4555 22.20346
210.9376 23.90729
211.4197 25.34737
211.9019 25.44763
212.3840 22.99377
212.8661 19.47514
213.3482 19.03430
213.8303 23.29816
214.3124 27.75061
214.7946 29.60898
215.2767 29.32274
215.7588 29.32365
216.2409 30.92499
216.7230 33.27821
217.2052 34.70258
217.6873 34.73343
218.1694 34.78325
218.6515 36.10147
219.1336 38.63928
219.6157 40.93369
220.0979 42.10342
220.5800 42.98143
221.0621 44.56903
221.5442 47.11569
222.0263 49.78815
222.5084 51.54077
222.9906 52.24062
223.4727 53.57965
223.9548 57.10374
224.4369 60.85349
224.9190 63.27927
225.4011 64.07108
225.8833 64.22238
226.3654 64.59222
226.8475 64.96127
227.3296 66.62883
227.8117 71.41797
228.2938 76.61191
228.7760 80.52618
229.2581 82.83107
229.7402 84.26939
230.2223 85.82790
230.7044 87.67560
231.1865 89.09834
231.6687 90.41023
232.1508 91.00079
232.6329 90.29774
233.1150 88.25604
233.5971 85.46240
234.0792 82.88963
234.5614 81.28886
235.0435 77.87306
235.5256 71.12451
236.0077 63.92178
236.4898 57.82452
236.9719 53.21846
237.4541 49.69661
237.9362 46.74799
238.4183 44.37759
238.9004 42.81689
239.3825 43.34335
239.8646 43.58661
240.3468 41.85562
240.8289 37.98114
241.3110 33.10040
241.7931 28.50841
242.2752 24.08669
242.7573 20.71355
243.2395 18.36214
243.7216 16.79353
244.2037 16.14214
244.6858 16.22528
245.1679 16.39377
245.6501 16.08406
246.1322 15.23970
246.6143 14.44162
247.0964 13.14923
247.5785 12.22102
248.0606 12.65634
248.5428 14.30995
249.0249 15.75461
249.5070 15.51123
249.9891 13.23434
250.4712 11.56961
250.9533 11.24338
251.4355 10.93102
251.9176 9.326447
252.3997 6.542404
252.8818 4.208176
253.3639 3.828293
253.8460 5.494202
254.3282 6.682938
254.8103 7.564499
255.2924 8.038605
255.7745 7.563477
256.2566 6.232742
256.7387 5.007294
257.2209 4.456543
257.7030 4.682343
258.1851 5.273804
258.6672 5.998749
259.1493 7.257706
259.6314 9.671326
260.1136 13.01224
260.5957 15.88387
261.0778 17.57603
261.5599 18.15536
262.0420 18.16548
262.5241 16.75000
263.0063 15.90889
263.4884 17.51965
263.9705 21.27374
264.4526 24.50461
264.9347 25.73416
265.4168 25.78436
265.8990 26.41588
266.3811 27.97049
266.8632 29.50674
267.3453 30.10123
267.8274 29.91377
268.3095 30.27066
268.7917 31.96315
269.2738 34.16290
269.7559 35.57971
270.2380 35.99564
270.7201 36.65210
271.2022 38.59879
271.6844 41.67451
272.1665 44.67484
272.6486 47.19025
273.1307 49.60800
273.6128 52.37874
274.0949 55.51608
274.5771 58.58128
275.0592 61.01204
275.5413 63.01923
276.0234 65.90187
276.5055 70.50031
276.9876 75.18036
277.4698 78.80038
277.9519 81.44406
278.4340 83.58353
278.9161 85.42780
279.3982 86.98302
279.8803 88.27885
280.3625 89.13513
280.8446 89.99788
281.3267 91.66956
281.8088 93.59680
282.2909 94.44055
282.7730 93.05128
283.2552 90.03769
283.7373 87.50143
284.2194 85.94278
284.7015 83.88753
285.1836 80.16254
285.6658 75.63916
286.1479 71.57907
286.6300 68.57779
287.1121 66.38516
287.5942 64.65919
288.0764 63.88052
288.5585 62.39497
289.0406 58.67628
289.5227 54.37695
290.0048 51.33398
290.4869 50.28522
290.9691 50.31717
291.4512 49.80295
291.9333 48.42935
292.4154 47.52850
292.8975 47.67538
293.3796 48.28711
293.8618 49.07767
294.3439 49.97226
294.8260 50.75246
295.3081 51.29767
295.7902 51.76772
296.2723 51.23654
296.7545 47.88278
297.2366 44.64594
297.7187 43.24026
298.2008 43.79443
298.6829 45.30804
299.1650 47.10852
299.6472 49.32529
300.1293 50.59750
300.6114 49.14905
301.0935 48.24030
301.5756 49.63965
302.0577 52.95544
302.5399 56.62253
303.0220 59.60831
303.5041 61.90067
303.9862 63.30832
304.4683 63.99649
304.9504 63.42575
305.4326 61.19565
305.9147 57.68192
306.3968 53.56390
306.8789 49.29959
307.3610 44.71777
307.8431 38.97009
308.3253 30.73538
308.8074 23.44684
309.2895 18.21277
309.7716 14.22629
310.2537 10.62637
310.7358 7.027496
311.2180 3.571381
311.7001 0.4063420
312.1822 3.114044
312.6643 4.837738
313.1464 2.800781
313.6285 2.5238000E-02
314.1107 1.239838
314.5928 0.1975710
315.0749 1.997864
315.5570 3.978699
316.0391 5.877441
316.5212 7.053986
317.0034 7.379639
317.4855 7.016983
317.9676 5.533081
318.4497 3.169006
318.9318 1.071014
319.4139 0.7030640
319.8961 2.333710
320.3782 3.019836
320.8603 1.695068
321.3424 0.3670040
321.8245 9.7321004E-02
322.3066 0.4805300
322.7888 0.3628230
323.2709 1.342438
323.7530 4.315277
324.2351 6.031616
324.7172 5.365479
325.1993 4.986328
325.6815 5.620605
326.1636 7.043884
326.6457 9.017944
327.1278 11.50580
327.6099 14.24817
328.0920 16.63080
328.5742 18.54755
329.0563 20.31796
329.5384 21.47253
330.0205 22.82474
330.5026 25.24100
330.9847 28.97388
331.4669 33.21909
331.9490 36.98947
332.4311 40.31271
332.9132 43.03516
333.3953 43.68024
333.8774 44.80206
334.3596 47.95584
334.8417 53.14664
335.3238 59.19943
335.8059 65.23648
336.2880 71.27612
336.7701 76.91696
337.2523 81.29248
337.7344 86.27945
338.2165 93.07733
338.6986 101.1219
339.1807 109.1724
339.6628 116.6144
340.1450 123.4396
340.6271 129.4652
341.1092 133.8598
341.5913 139.0713
342.0735 146.5979
342.5556 155.1709
343.0377 163.0553
343.5198 169.3090
344.0019 175.5527
344.4840 184.7336
344.9662 197.6985
345.4483 210.1322
345.9304 218.8181
346.4125 227.6922
346.8946 239.6833
347.3767 255.3231
347.8589 272.6120
348.3410 289.4547
348.8231 305.9644
349.3052 324.0572
349.7873 344.6450
350.2694 366.4109
350.7516 388.7203
351.2337 411.4182
351.7158 433.5424
352.1979 455.8329
352.6800 477.3143
353.1621 494.6814
353.6443 507.7901
354.1264 516.8076
354.6085 522.4294
355.0906 524.3159
355.5727 521.2170
356.0548 512.8719
356.5370 499.2615
357.0191 479.3671
357.5012 452.8865
357.9833 423.7220
358.4654 391.6473
358.9475 358.9331
359.4297 328.3637
359.9118 300.2163
360.3939 273.3182
360.8760 246.0883
361.3581 219.2046
361.8402 195.6361
362.3224 176.8786
362.8045 160.6750
363.2866 144.3282
363.7687 127.9770
364.2508 113.5339
364.7329 102.2375
365.2151 93.11795
365.6972 84.55847
366.1793 76.35352
366.6614 68.93463
367.1435 62.89291
367.6256 57.93497
368.1078 53.16641
368.5899 48.54337
369.0720 43.98257
369.5541 39.04727
370.0362 33.77802
370.5183 29.51993
371.0005 27.32690
371.4826 26.57404
371.9647 25.68436
372.4468 24.70914
372.9289 23.38364
373.4110 21.41803
373.8932 19.06357
374.3753 16.78409
374.8574 14.70819
375.3395 13.04892
375.8216 12.36435
376.3037 12.88773
376.7859 12.62216
377.2680 10.11166
377.7501 7.354156
378.2322 6.357178
378.7143 7.209015
379.1964 8.413208
379.6786 8.766846
380.1607 8.383698
380.6428 8.871307
381.1249 11.05637
381.6070 13.08353
382.0891 14.08118
382.5713 14.49026
383.0534 15.13293
383.5355 16.36273
384.0176 18.04379
384.4997 19.93088
384.9818 22.55356
385.4640 24.48474
385.9461 25.35770
386.4282 25.73215
386.9103 25.46857
387.3924 24.85934
387.8745 25.36871
388.3567 28.87125
388.8388 36.09238
389.3209 40.98541
389.8030 41.29611
390.2851 42.00507
390.7672 44.99945
391.2494 49.85321
391.7315 55.45886
392.2136 61.17630
392.6957 67.08377
393.1778 73.31522
393.6599 78.77747
394.1421 86.32465
394.6242 97.09808
395.1063 109.4333
395.5884 121.6916
396.0706 133.5452
396.5527 145.7166
397.0348 159.7710
397.5169 176.7137
397.9990 191.2013
398.4811 204.1781
398.9633 213.5547
399.4454 219.0105
399.9275 220.1038
400.4096 215.9696
400.8917 205.5005
401.3738 189.5979
401.8560 171.7961
402.3381 151.0218
402.8202 130.4011
403.3023 109.1660
403.7844 89.23264
404.2665 72.76224
404.7487 60.46454
405.2308 50.74335
405.7129 41.89703
406.1950 33.85281
406.6771 27.07932
407.1592 22.29242
407.6414 18.28299
408.1235 13.97482
408.6056 9.518250
409.0877 5.824402
409.5698 3.633881
410.0519 2.555725
410.5341 1.796814
411.0162 1.452759
411.4983 0.9929500
411.9804 6.1859000E-02
412.4625 1.199188
412.9446 2.673065
413.4268 4.781525
413.9089 6.359283
414.3910 6.008698
414.8731 4.145050
415.3552 2.843384
415.8373 2.954224
416.3195 3.581665
416.8016 3.305298
417.2837 2.080688
417.7658 1.114288
418.2479 0.9105530
418.7300 1.031647
419.2122 1.056580
419.6943 0.9262700
420.1764 0.5771480
420.6585 4.8126001E-02
421.1406 0.9541020
421.6227 2.009735
422.1049 3.627258
422.5870 4.945404
423.0691 5.217224
423.5512 5.019684
424.0333 5.367767
424.5154 6.659088
424.9976 8.702820
425.4797 11.16159
425.9618 14.27139
426.4439 17.35901
426.9260 20.06079
427.4081 23.03436
427.8903 26.85474
428.3724 31.46487
428.8545 36.25253
429.3366 40.62766
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