#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:36:17 +0300 (Thu, 26 Apr 2018) $
#$Revision: 497 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000051.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_1000051
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        '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            R060295.rod
_rod_data_source.block           3500000
_rod_database.code               1000051
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
111.6215 0.0000000E+00
112.1036 9.9120997E-02
112.5858 0.2935790
113.0679 6.411682
113.5500 20.69067
114.0321 39.62946
114.5142 63.50146
114.9964 92.20026
115.4785 120.2778
115.9606 142.6713
116.4427 160.0627
116.9248 168.8663
117.4069 163.3501
117.8891 148.4637
118.3712 134.2673
118.8533 123.0644
119.3354 111.9890
119.8175 97.76520
120.2996 81.27673
120.7818 66.70911
121.2639 57.02673
121.7460 51.52234
122.2281 48.54944
122.7102 49.35712
123.1923 52.81775
123.6745 58.91669
124.1566 67.02478
124.6387 76.25067
125.1208 86.01288
125.6029 98.28174
126.0850 107.0346
126.5672 113.1837
127.0493 116.1715
127.5314 115.9512
128.0135 113.7024
128.4956 111.6255
128.9777 107.9331
129.4599 94.40344
129.9420 80.62549
130.4241 66.94379
130.9062 54.92975
131.3883 46.52063
131.8704 43.68890
132.3526 45.30597
132.8347 45.52844
133.3168 44.86078
133.7989 43.20764
134.2810 39.82611
134.7632 35.23267
135.2453 31.45831
135.7274 29.63782
136.2095 29.57843
136.6916 29.95923
137.1737 30.72614
137.6559 31.88324
138.1380 33.48975
138.6201 35.60516
139.1022 37.48694
139.5843 38.63306
140.0664 39.19153
140.5486 39.38995
141.0307 40.05438
141.5128 40.39044
141.9949 37.85052
142.4770 31.20874
142.9591 23.40527
143.4413 14.98663
143.9234 6.538940
144.4055 1.036377
144.8876 7.155762
145.3697 11.81573
145.8518 14.92542
146.3340 15.97659
146.8161 15.75528
147.2982 13.81061
147.7803 10.60223
148.2624 7.186920
148.7445 4.622681
149.2267 3.211243
149.7088 1.488861
150.1909 0.7478330
150.6730 3.043121
151.1551 4.834381
151.6372 6.234283
152.1194 8.075562
152.6015 11.38876
153.0836 16.80048
153.5657 22.26044
154.0478 28.06674
154.5299 33.75909
155.0121 39.03952
155.4942 43.88455
155.9763 47.91800
156.4584 50.31198
156.9405 51.25955
157.4226 50.88513
157.9048 47.89240
158.3869 43.55420
158.8690 40.77875
159.3511 40.83133
159.8332 41.91367
160.3153 41.57990
160.7975 39.79153
161.2796 38.13019
161.7617 38.04913
162.2438 39.33966
162.7259 39.42755
163.2081 36.72128
163.6902 33.42453
164.1723 30.94766
164.6544 29.41064
165.1365 28.65112
165.6186 28.48932
166.1008 28.92621
166.5829 29.94571
167.0650 31.73834
167.5471 33.97055
168.0292 36.59940
168.5113 39.58978
168.9935 42.70145
169.4756 47.04434
169.9577 50.83081
170.4398 54.65652
170.9219 57.90042
171.4040 61.46863
171.8862 66.34073
172.3683 72.83365
172.8504 80.20950
173.3325 86.77942
173.8146 92.08792
174.2967 96.93460
174.7789 101.5013
175.2610 105.5783
175.7431 108.5993
176.2252 110.2570
176.7073 111.2456
177.1894 113.9259
177.6716 120.1976
178.1537 125.6378
178.6358 129.5267
179.1179 132.0158
179.6000 133.2569
180.0821 133.0829
180.5643 132.0050
181.0464 131.6956
181.5285 132.9903
182.0106 133.7092
182.4927 133.1871
182.9748 131.3603
183.4570 127.7872
183.9391 121.6997
184.4212 113.9156
184.9033 106.5446
185.3854 99.65649
185.8675 93.09265
186.3497 86.55963
186.8318 80.03088
187.3139 74.18228
187.7960 69.07056
188.2781 64.94836
188.7602 62.45996
189.2424 62.15958
189.7245 62.57758
190.2066 61.79764
190.6887 59.53839
191.1708 57.02878
191.6530 54.11026
192.1351 51.38760
192.6172 49.52240
193.0993 48.83936
193.5814 48.84088
194.0635 48.45798
194.5457 47.14575
195.0278 46.61261
195.5099 47.72040
195.9920 49.42233
196.4741 50.65021
196.9562 50.90408
197.4384 50.57828
197.9205 50.92532
198.4026 53.44421
198.8847 54.47885
199.3668 52.74902
199.8489 49.65811
200.3311 46.89178
200.8132 45.32629
201.2953 44.37039
201.7774 41.79785
202.2595 35.30017
202.7416 29.27658
203.2238 24.36621
203.7059 20.34174
204.1880 16.82965
204.6701 13.66779
205.1522 10.97049
205.6343 8.891632
206.1165 7.836334
206.5986 6.848541
207.0807 5.127533
207.5628 3.315399
208.0449 2.760986
208.5270 4.274719
209.0092 7.212250
209.4913 9.044281
209.9734 9.182617
210.4555 9.232849
210.9376 9.598907
211.4197 10.28110
211.9019 11.37698
212.3840 13.01926
212.8661 14.99088
213.3482 16.79160
213.8303 18.76666
214.3124 20.06885
214.7946 19.62140
215.2767 17.78925
215.7588 16.65210
216.2409 17.46625
216.7230 19.31927
217.2052 20.44980
217.6873 20.70581
218.1694 20.51346
218.6515 19.98914
219.1336 19.15192
219.6157 18.54904
220.0979 18.36597
220.5800 18.57358
221.0621 19.18179
221.5442 20.27020
222.0263 21.44415
222.5084 22.34766
222.9906 22.97610
223.4727 23.46051
223.9548 23.89453
224.4369 24.14917
224.9190 24.06540
225.4011 23.60187
225.8833 22.99561
226.3654 22.51160
226.8475 22.17453
227.3296 21.84674
227.8117 21.57684
228.2938 21.25226
228.7760 20.69992
229.2581 19.90524
229.7402 19.17554
230.2223 18.93414
230.7044 19.32562
231.1865 19.75513
231.6687 20.32248
232.1508 20.79794
232.6329 20.87827
233.1150 20.57431
233.5971 20.32660
234.0792 20.83545
234.5614 22.55695
235.0435 23.91916
235.5256 24.87854
236.0077 25.54330
236.4898 25.83133
236.9719 25.79883
237.4541 25.72836
237.9362 26.03107
238.4183 26.93964
238.9004 27.65817
239.3825 28.29688
239.8646 28.70328
240.3468 28.73126
240.8289 28.38483
241.3110 27.79202
241.7931 27.02725
242.2752 25.76062
242.7573 25.41162
243.2395 26.03134
243.7216 27.36179
244.2037 29.74054
244.6858 32.95648
245.1679 35.95953
245.6501 37.46445
246.1322 36.86359
246.6143 37.12735
247.0964 39.33832
247.5785 41.50146
248.0606 41.88141
248.5428 40.51746
249.0249 39.14496
249.5070 39.59958
249.9891 42.29147
250.4712 43.95154
250.9533 44.16284
251.4355 43.56039
251.9176 42.38602
252.3997 40.77768
252.8818 39.13562
253.3639 37.78461
253.8460 36.74298
254.3282 35.79651
254.8103 35.19131
255.2924 34.30682
255.7745 32.61560
256.2566 30.22940
256.7387 27.84647
257.2209 25.97290
257.7030 24.57367
258.1851 23.03833
258.6672 20.82846
259.1493 18.97577
259.6314 18.53964
260.1136 19.34164
260.5957 19.84348
261.0778 18.99252
261.5599 17.19626
262.0420 15.87564
262.5241 15.17233
263.0063 14.79077
263.4884 14.61523
263.9705 14.62769
264.4526 14.67963
264.9347 14.82553
265.4168 14.86227
265.8990 14.43237
266.3811 13.31494
266.8632 12.22791
267.3453 11.78320
267.8274 11.88702
268.3095 11.72659
268.7917 10.40894
269.2738 9.308807
269.7559 10.35187
270.2380 13.94592
270.7201 17.63501
271.2022 19.81943
271.6844 20.63107
272.1665 20.89166
272.6486 20.45322
273.1307 19.86847
273.6128 19.58426
274.0949 19.60999
274.5771 20.05136
275.0592 21.02853
275.5413 22.49759
276.0234 24.27597
276.5055 26.66644
276.9876 28.91434
277.4698 30.65475
277.9519 31.86096
278.4340 32.42139
278.9161 31.98163
279.3982 30.76538
279.8803 29.80441
280.3625 29.41003
280.8446 28.85895
281.3267 27.67432
281.8088 26.02896
282.2909 24.29529
282.7730 22.51120
283.2552 20.80106
283.7373 19.68375
284.2194 19.56610
284.7015 19.27383
285.1836 17.95880
285.6658 16.18530
286.1479 14.79666
286.6300 14.23618
287.1121 14.23590
287.5942 14.20624
288.0764 14.08829
288.5585 14.09778
289.0406 14.45407
289.5227 14.91235
290.0048 15.13351
290.4869 14.92612
290.9691 14.70197
291.4512 15.31094
291.9333 17.13397
292.4154 18.57883
292.8975 19.11255
293.3796 19.19211
293.8618 18.93179
294.3439 18.36606
294.8260 17.99225
295.3081 18.77121
295.7902 21.15887
296.2723 22.52252
296.7545 21.93558
297.2366 20.50516
297.7187 18.45798
298.2008 15.96243
298.6829 13.56860
299.1650 12.08096
299.6472 11.65802
300.1293 10.56552
300.6114 8.057465
301.0935 5.405243
301.5756 3.035156
302.0577 0.9969480
302.5399 0.7764590
303.0220 2.301880
303.5041 3.581360
303.9862 4.726440
304.4683 5.831024
304.9504 6.651764
305.4326 6.942078
305.9147 6.913361
306.3968 7.012817
306.8789 7.655243
307.3610 8.546692
307.8431 8.292419
308.3253 5.877380
308.8074 3.889771
309.2895 3.059082
309.7716 2.981110
310.2537 3.365570
310.7358 4.178101
311.2180 4.946167
311.7001 4.484894
312.1822 2.091522
312.6643 5.3099999E-03
313.1464 1.572052
313.6285 2.587158
314.1107 2.602997
314.5928 1.568024
315.0749 0.6020200
315.5570 1.535034
316.0391 5.024963
316.5212 8.007874
317.0034 9.603210
317.4855 11.06451
317.9676 13.07828
318.4497 15.68286
318.9318 18.46677
319.4139 20.89185
319.8961 22.85019
320.3782 25.49924
320.8603 29.78436
321.3424 33.89230
321.8245 37.10388
322.3066 39.57074
322.7888 41.79538
323.2709 44.05688
323.7530 46.36887
324.2351 48.72894
324.7172 50.91302
325.1993 53.53299
325.6815 56.85858
326.1636 60.70178
326.6457 64.82166
327.1278 69.06641
327.6099 73.42999
328.0920 78.24774
328.5742 84.43332
329.0563 89.01248
329.5384 89.74457
330.0205 89.71313
330.5026 91.76401
330.9847 96.61023
331.4669 102.1826
331.9490 105.8705
332.4311 107.3116
332.9132 108.7786
333.3953 111.2592
333.8774 113.3517
334.3596 114.0428
334.8417 113.3927
335.3238 112.3871
335.8059 112.2050
336.2880 112.8770
336.7701 112.2861
337.2523 109.6237
337.7344 106.4483
338.2165 103.6255
338.6986 100.8905
339.1807 97.52774
339.6628 92.98380
340.1450 87.50500
340.6271 81.83850
341.1092 75.49963
341.5913 69.98035
342.0735 65.87073
342.5556 62.76959
343.0377 60.41354
343.5198 58.91049
344.0019 57.48502
344.4840 54.49146
344.9662 49.25977
345.4483 45.31656
345.9304 44.96127
346.4125 45.62003
346.8946 45.44675
347.3767 44.14920
347.8589 42.99939
348.3410 43.33377
348.8231 45.11710
349.3052 46.88425
349.7873 48.18503
350.2694 49.75436
350.7516 52.14246
351.2337 55.22748
351.7158 58.42850
352.1979 61.63513
352.6800 64.72067
353.1621 67.07324
353.6443 68.23740
354.1264 69.69598
354.6085 72.62805
355.0906 76.36121
355.5727 79.84326
356.0548 82.59531
356.5370 85.11774
357.0191 88.20325
357.5012 91.91290
357.9833 95.36234
358.4654 98.32361
358.9475 100.6986
359.4297 102.0980
359.9118 102.2105
360.3939 102.6550
360.8760 104.7076
361.3581 108.1552
361.8402 112.1240
362.3224 116.9347
362.8045 121.3569
363.2866 124.1180
363.7687 125.3713
364.2508 125.9849
364.7329 125.7672
365.2151 125.2328
365.6972 125.5814
366.1793 127.2311
366.6614 128.7169
367.1435 128.7201
367.6256 127.5636
368.1078 126.3740
368.5899 125.5356
369.0720 124.4661
369.5541 123.0624
370.0362 121.3385
370.5183 118.5674
371.0005 114.2382
371.4826 108.6051
371.9647 102.4646
372.4468 95.96118
372.9289 88.73984
373.4110 80.20239
373.8932 70.98029
374.3753 62.37656
374.8574 54.73633
375.3395 47.73279
375.8216 40.99463
376.3037 34.47968
376.7859 28.73578
377.2680 23.97726
377.7501 19.89853
378.2322 16.28290
378.7143 13.09909
379.1964 10.35446
379.6786 8.079376
380.1607 6.263794
380.6428 4.602417
381.1249 2.955597
381.6070 1.599731
382.0891 0.8217160
382.5713 0.3782040
383.0534 0.2343140
383.5355 1.255463
384.0176 2.410980
384.4997 3.111664
384.9818 3.001587
385.4640 2.986328
385.9461 2.985321
386.4282 3.145172
386.9103 4.018127
387.3924 5.457825
387.8745 6.235352
388.3567 4.820831
388.8388 0.7052920
389.3209 1.888153
389.8030 1.999451
390.2851 1.853333
390.7672 2.115417
391.2494 2.781677
391.7315 3.717865
392.2136 4.862762
392.6957 6.139526
393.1778 7.212158
393.6599 7.591461
394.1421 8.487457
394.6242 10.28778
395.1063 12.45566
395.5884 14.63620
396.0706 16.69128
396.5527 18.44684
397.0348 19.59799
397.5169 19.93726
397.9990 20.47098
398.4811 20.99219
398.9633 21.90573
399.4454 23.57974
399.9275 25.80658
400.4096 28.13715
400.8917 30.38620
401.3738 32.42743
401.8560 33.55716
402.3381 32.98676
402.8202 33.02451
403.3023 34.91168
403.7844 37.42877
404.2665 39.31052
404.7487 40.16577
405.2308 40.61710
405.7129 41.29291
406.1950 42.18961
406.6771 43.49561
407.1592 45.66010
407.6414 47.81766
408.1235 49.38669
408.6056 50.39496
409.0877 51.11011
409.5698 51.82797
410.0519 52.33667
410.5341 51.98602
411.0162 50.55682
411.4983 49.08353
411.9804 48.36652
412.4625 47.97266
412.9446 47.18549
413.4268 45.78131
413.9089 44.14624
414.3910 42.43723
414.8731 40.71561
415.3552 39.27200
415.8373 38.18799
416.3195 37.44559
416.8016 37.26761
417.2837 37.73932
417.7658 37.59546
418.2479 36.09784
418.7300 34.02628
419.2122 31.89429
419.6943 29.83014
420.1764 28.74930
420.6585 29.57220
421.1406 32.15421
421.6227 34.35333
422.1049 35.77887
422.5870 37.30844
423.0691 39.21249
423.5512 41.46762
424.0333 44.09946
424.5154 47.11929
424.9976 50.33316
425.4797 53.33899
425.9618 55.84390
426.4439 58.75284
426.9260 61.57687
427.4081 65.17096
427.8903 70.48358
428.3724 77.30209
428.8545 84.38605
429.3366 90.65771
429.8187 96.23816
430.3008 102.9080
430.7830 112.0272
431.2651 120.8489
431.7472 128.6023
432.2293 135.9582
432.7114 143.7535
433.1935 152.2767
433.6757 160.9499
434.1578 168.6454
434.6399 174.9462
435.1220 181.6573
435.6041 188.9876
436.0862 196.6431
436.5684 204.7365
437.0505 213.0677
437.5326 221.1367
438.0147 228.3164
438.4968 235.0097
438.9789 242.8125
439.4611 252.2542
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