#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:38:12 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1202 $
#$URL: svn://172.16.1.111/rod/cif/1/00/06/1000616.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_1000616
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 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            R060299.rod
_rod_data_source.block           3500000
_rod_database.code               1000616
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
108.7288 0.0000000E+00
109.2109 2.1970000E-03
109.6931 3.481445
110.1752 6.153564
110.6573 6.586182
111.1394 3.604980
111.6215 0.5593260
112.1036 0.7065430
112.5858 0.2866210
113.0679 1.051270
113.5500 1.215820
114.0321 1.337891
114.5142 1.865234
114.9964 2.889648
115.4785 3.771729
115.9606 3.963135
116.4427 3.530762
116.9248 3.615479
117.4069 4.906738
117.8891 6.854980
118.3712 8.359863
118.8533 9.235107
119.3354 9.495361
119.8175 8.714111
120.2996 7.001465
120.7818 6.061279
121.2639 7.796631
121.7460 12.33862
122.2281 15.63159
122.7102 15.46289
123.1923 15.29419
123.6745 16.51758
124.1566 18.88843
124.6387 21.73315
125.1208 23.09448
125.6029 20.96997
126.0850 21.19287
126.5672 25.21875
127.0493 31.03979
127.5314 36.99707
128.0135 42.55151
128.4956 48.33887
128.9777 55.37695
129.4599 65.79321
129.9420 75.05957
130.4241 82.74854
130.9062 89.04980
131.3883 94.36548
131.8704 98.81152
132.3526 102.0635
132.8347 101.9844
133.3168 99.40479
133.7989 93.69604
134.2810 82.94458
134.7632 68.02173
135.2453 53.34155
135.7274 41.53394
136.2095 32.62012
136.6916 24.74780
137.1737 15.72559
137.6559 8.045898
138.1380 5.489258
138.6201 9.114990
139.1022 12.87280
139.5843 12.48413
140.0664 10.00659
140.5486 8.129883
141.0307 8.214844
141.5128 10.38501
141.9949 15.48755
142.4770 24.39990
142.9591 30.08862
143.4413 31.62817
143.9234 30.45410
144.4055 28.47803
144.8876 27.01270
145.3697 26.31934
145.8518 25.30469
146.3340 24.33936
146.8161 22.91772
147.2982 20.05347
147.7803 16.49438
148.2624 13.83472
148.7445 13.52832
149.2267 16.63965
149.7088 18.24219
150.1909 17.24487
150.6730 15.84277
151.1551 15.53857
151.6372 16.43921
152.1194 17.49976
152.6015 17.32251
153.0836 14.98486
153.5657 14.02148
154.0478 15.17505
154.5299 17.33130
155.0121 19.28223
155.4942 20.71899
155.9763 22.41577
156.4584 25.76050
156.9405 30.75879
157.4226 35.86694
157.9048 41.15479
158.3869 46.34546
158.8690 50.73926
159.3511 54.41577
159.8332 56.67261
160.3153 56.70825
160.7975 54.54932
161.2796 51.49658
161.7617 48.89526
162.2438 46.53198
162.7259 41.67505
163.2081 30.52612
163.6902 19.18433
164.1723 12.08740
164.6544 9.608398
165.1365 9.857666
165.6186 11.26270
166.1008 14.14331
166.5829 17.37964
167.0650 19.24072
167.5471 21.30200
168.0292 25.08154
168.5113 30.82666
168.9935 36.83594
169.4756 40.33154
169.9577 40.83374
170.4398 39.33081
170.9219 35.77417
171.4040 30.70850
171.8862 23.93481
172.3683 15.49902
172.8504 6.595947
173.3325 6.5919999E-03
173.8146 1.835938
174.2967 3.942627
174.7789 7.723877
175.2610 11.44092
175.7431 12.62061
176.2252 10.06116
176.7073 5.141602
177.1894 2.445068
177.6716 3.669434
178.1537 4.747559
178.6358 5.168457
179.1179 4.914307
179.6000 3.987671
180.0821 2.379150
180.5643 6.6040002E-02
181.0464 3.058960
181.5285 8.155884
182.0106 12.33203
182.4927 13.69543
182.9748 12.76270
183.4570 11.77356
183.9391 11.51562
184.4212 12.13916
184.9033 13.84399
185.3854 17.62183
185.8675 20.85071
186.3497 20.35608
186.8318 15.98975
187.3139 13.25891
187.7960 15.98218
188.2781 21.16663
188.7602 25.79822
189.2424 29.43713
189.7245 32.11475
190.2066 32.83105
190.6887 30.15100
191.1708 30.90332
191.6530 39.88452
192.1351 52.13599
192.6172 63.78052
193.0993 73.40601
193.5814 81.82886
194.0635 90.94116
194.5457 102.4579
195.0278 110.8922
195.5099 115.8281
195.9920 117.4984
196.4741 115.7465
196.9562 110.3744
197.4384 102.2919
197.9205 94.02258
198.4026 85.61914
198.8847 76.93604
199.3668 66.86401
199.8489 56.89014
200.3311 48.74438
200.8132 43.33252
201.2953 40.12878
201.7774 37.11450
202.2595 33.67188
202.7416 31.14221
203.2238 29.76306
203.7059 29.36243
204.1880 29.72168
204.6701 30.75427
205.1522 32.36914
205.6343 34.26453
206.1165 38.05823
206.5986 40.34143
207.0807 38.96692
207.5628 35.63257
208.0449 33.48254
208.5270 34.17859
209.0092 37.32422
209.4913 41.21716
209.9734 46.45532
210.4555 51.51428
210.9376 55.92993
211.4197 59.75940
211.9019 63.31775
212.3840 67.03528
212.8661 70.17224
213.3482 70.94055
213.8303 68.39624
214.3124 65.25403
214.7946 62.29016
215.2767 59.71716
215.7588 59.00415
216.2409 61.87866
216.7230 66.23853
217.2052 68.05420
217.6873 66.23474
218.1694 64.09082
218.6515 64.31396
219.1336 66.81873
219.6157 69.22632
220.0979 70.12109
220.5800 70.87549
221.0621 73.09167
221.5442 77.20471
222.0263 81.68567
222.5084 84.81860
222.9906 86.45764
223.4727 88.89807
223.9548 93.18738
224.4369 98.40723
224.9190 103.6830
225.4011 108.8363
225.8833 114.8928
226.3654 123.5233
226.8475 135.2832
227.3296 146.7622
227.8117 156.2656
228.2938 165.8474
228.7760 177.1494
229.2581 190.4489
229.7402 203.8761
230.2223 215.0703
230.7044 223.8157
231.1865 230.6479
231.6687 238.0829
232.1508 242.2590
232.6329 240.1737
233.1150 231.4580
233.5971 218.3893
234.0792 203.4655
234.5614 185.1497
235.0435 169.2827
235.5256 155.1310
236.0077 143.2161
236.4898 134.6277
236.9719 129.2957
237.4541 125.6388
237.9362 121.4811
238.4183 116.1874
238.9004 112.2112
239.3825 111.9258
239.8646 110.9308
240.3468 105.9752
240.8289 96.82910
241.3110 85.91858
241.7931 75.93152
242.2752 66.68677
242.7573 59.51367
243.2395 55.48901
243.7216 52.40234
244.2037 48.98425
244.6858 44.99280
245.1679 40.71423
245.6501 36.28528
246.1322 31.20508
246.6143 28.70618
247.0964 31.30432
247.5785 34.29163
248.0606 34.27588
248.5428 31.13098
249.0249 27.25940
249.5070 25.07605
249.9891 24.92358
250.4712 23.67786
250.9533 19.97534
251.4355 16.31470
251.9176 14.65894
252.3997 14.95825
252.8818 15.50574
253.3639 14.98853
253.8460 13.30798
254.3282 11.23352
254.8103 7.921387
255.2924 4.893799
255.7745 3.088257
256.2566 2.535156
256.7387 3.134888
257.2209 5.531738
257.7030 9.375732
258.1851 11.69116
258.6672 10.53906
259.1493 9.076660
259.6314 9.591553
260.1136 11.89453
260.5957 14.13611
261.0778 15.43640
261.5599 15.87122
262.0420 15.97888
262.5241 15.75085
263.0063 15.11865
263.4884 13.10364
263.9705 10.02454
264.4526 8.677368
264.9347 11.70972
265.4168 16.26282
265.8990 16.75708
266.3811 11.50293
266.8632 5.809082
267.3453 3.608521
267.8274 4.511963
268.3095 5.489502
268.7917 5.274902
269.2738 4.869629
269.7559 5.561523
270.2380 7.497803
270.7201 9.895386
271.2022 12.75659
271.6844 15.87793
272.1665 17.74487
272.6486 17.31458
273.1307 16.15027
273.6128 15.95837
274.0949 16.73145
274.5771 17.39465
275.0592 16.81421
275.5413 15.32764
276.0234 14.87195
276.5055 15.71008
276.9876 17.81128
277.4698 21.69116
277.9519 26.90112
278.4340 31.22009
278.9161 32.73682
279.3982 32.09424
279.8803 32.16113
280.3625 33.05884
280.8446 34.81409
281.3267 38.43140
281.8088 42.86304
282.2909 45.59436
282.7730 44.43188
283.2552 40.55078
283.7373 37.96326
284.2194 37.49182
284.7015 36.76160
285.1836 33.73950
285.6658 29.91663
286.1479 27.64490
286.6300 28.41064
287.1121 30.96484
287.5942 32.38928
288.0764 32.03882
288.5585 32.09143
289.0406 34.11023
289.5227 36.61572
290.0048 37.85657
290.4869 37.03479
290.9691 35.44409
291.4512 35.37024
291.9333 37.26929
292.4154 39.28687
292.8975 41.29260
293.3796 43.04175
293.8618 43.95752
294.3439 43.90491
294.8260 44.13989
295.3081 47.05640
295.7902 53.76025
296.2723 57.84656
296.7545 55.86865
297.2366 52.57324
297.7187 49.69238
298.2008 47.74231
298.6829 47.49658
299.1650 50.54443
299.6472 57.37939
300.1293 62.74280
300.6114 65.92334
301.0935 67.74207
301.5756 67.66772
302.0577 66.30945
302.5399 65.40552
303.0220 66.70789
303.5041 70.07458
303.9862 72.25818
304.4683 72.51196
304.9504 72.36157
305.4326 73.15808
305.9147 73.94861
306.3968 72.92712
306.8789 68.82751
307.3610 62.19568
307.8431 55.38672
308.3253 48.42871
308.8074 41.24426
309.2895 32.77466
309.7716 24.42188
310.2537 18.17163
310.7358 14.98926
311.2180 13.62842
311.7001 11.23572
312.1822 6.814087
312.6643 3.518188
313.1464 3.125977
313.6285 3.235840
314.1107 1.561768
314.5928 2.453247
315.0749 6.983032
315.5570 9.481079
316.0391 9.684570
316.5212 8.841187
317.0034 5.374634
317.4855 2.186768
317.9676 1.022827
318.4497 1.915894
318.9318 3.625732
319.4139 5.430054
319.8961 7.530762
320.3782 7.675781
320.8603 3.348145
321.3424 0.6767580
321.8245 2.216431
322.3066 1.937134
322.7888 1.786133
323.2709 3.321045
323.7530 6.213745
324.2351 8.072876
324.7172 7.726196
325.1993 7.751221
325.6815 8.975830
326.1636 11.07312
326.6457 13.39771
327.1278 15.47668
327.6099 18.01123
328.0920 23.24731
328.5742 33.61169
329.0563 41.10913
329.5384 41.43970
330.0205 39.93787
330.5026 41.35474
330.9847 46.99524
331.4669 54.20984
331.9490 59.12317
332.4311 60.89258
332.9132 63.57666
333.3953 69.06396
333.8774 74.87146
334.3596 79.30310
334.8417 82.45898
335.3238 85.96912
335.8059 91.19165
336.2880 98.14343
336.7701 106.2513
337.2523 115.5583
337.7344 126.1580
338.2165 139.1106
338.6986 153.3387
339.1807 166.5612
339.6628 177.2198
340.1450 185.8279
340.6271 194.2950
341.1092 202.3488
341.5913 210.7545
342.0735 219.2769
342.5556 228.4343
343.0377 238.9603
343.5198 251.1826
344.0019 264.7242
344.4840 278.7532
344.9662 293.1427
345.4483 308.9664
345.9304 326.5857
346.4125 345.9363
346.8946 367.1010
347.3767 390.2202
347.8589 414.9438
348.3410 440.3149
348.8231 466.4952
349.3052 496.0719
349.7873 530.7607
350.2694 567.8651
350.7516 606.5496
351.2337 646.1898
351.7158 683.7031
352.1979 718.1025
352.6800 749.2031
353.1621 776.8057
353.6443 802.2664
354.1264 820.6587
354.6085 829.3438
355.0906 829.5667
355.5727 821.9648
356.0548 806.6594
356.5370 783.7804
357.0191 751.9125
357.5012 710.6758
357.9833 666.9692
358.4654 622.9032
358.9475 578.2134
359.4297 532.6169
359.9118 485.6497
360.3939 439.2816
360.8760 392.5848
361.3581 346.9885
361.8402 309.5615
362.3224 284.6477
362.8045 264.6700
363.2866 241.1951
363.7687 214.7401
364.2508 190.4747
364.7329 170.6754
365.2151 154.1726
365.6972 139.1039
366.1793 125.2688
366.6614 112.7397
367.1435 101.7244
367.6256 92.12219
368.1078 83.66956
368.5899 77.20728
369.0720 71.11304
369.5541 63.45068
370.0362 54.62451
370.5183 47.53186
371.0005 43.97949
371.4826 42.67554
371.9647 40.57349
372.4468 37.30933
372.9289 33.63782
373.4110 30.18103
373.8932 26.78149
374.3753 22.72644
374.8574 17.81982
375.3395 13.32935
375.8216 10.99878
376.3037 10.96069
376.7859 10.56726
377.2680 9.398560
377.7501 7.856201
378.2322 6.285889
378.7143 5.029663
379.1964 4.307251
379.6786 4.281860
380.1607 4.782715
380.6428 4.100464
381.1249 3.797190
381.6070 1.984863
382.0891 2.363647
382.5713 1.275879
383.0534 0.3123780
383.5355 0.1324460
384.0176 0.5305180
384.4997 1.100098
384.9818 2.245117
385.4640 2.852051
385.9461 2.106934
386.4282 1.291626
386.9103 1.771729
387.3924 3.589966
387.8745 5.594238
388.3567 6.611084
388.8388 6.630371
389.3209 5.619141
389.8030 2.302979
390.2851 0.5858150
390.7672 1.635132
391.2494 1.483398
391.7315 1.299194
392.2136 1.679199
392.6957 2.874268
393.1778 5.974121
393.6599 13.37463
394.1421 19.28833
394.6242 22.32983
395.1063 24.27710
395.5884 26.20227
396.0706 28.58228
396.5527 32.00830
397.0348 37.61902
397.5169 46.10864
397.9990 53.86621
398.4811 62.27344
398.9633 68.53552
399.4454 71.18848
399.9275 70.67834
400.4096 68.32520
400.8917 64.90381
401.3738 60.40820
401.8560 54.74438
402.3381 47.65271
402.8202 39.84973
403.3023 30.00073
403.7844 20.34436
404.2665 13.43494
404.7487 10.12354
405.2308 8.453735
405.7129 5.574951
406.1950 1.261963
406.6771 0.1420900
407.1592 4.504639
407.6414 9.925171
408.1235 12.80261
408.6056 13.16394
409.0877 11.76599
409.5698 7.336060
410.0519 1.690063
410.5341 0.8612060
411.0162 7.7147998E-02
411.4983 2.995361
411.9804 7.894287
412.4625 14.00818
412.9446 19.97192
413.4268 24.98547
413.9089 30.77698
414.3910 39.31140
414.8731 50.01880
415.3552 60.06189
415.8373 68.25891
416.3195 75.88599
416.8016 85.99890
417.2837 99.16357
417.7658 108.0500
418.2479 109.2737
418.7300 105.9800
419.2122 101.6144
419.6943 96.55566
420.1764 89.48267
420.6585 78.40869
421.1406 64.04065
421.6227 54.41125
422.1049 52.15698
422.5870 51.08948
423.0691 48.92896
423.5512 46.23425
424.0333 44.00452
424.5154 42.63464
424.9976 42.10876
425.4797 42.38464
425.9618 43.23254
426.4439 45.61719
426.9260 51.37585
427.4081 57.23047
427.8903 60.39783
428.3724 61.20129
428.8545 62.16357
429.3366 65.41467
429.8187 70.87781
430.3008 76.15283
430.7830 83.15259
431.2651 87.74622
431.7472 88.69946
432.2293 87.08899
432.7114 84.02014
433.1935 79.93701
433.6757 74.87927
434.1578 68.73401
434.6399 61.08496
435.1220 53.81433
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