#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:57:23 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1019 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000475.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_1000475
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        '2 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            R060552.rod
_rod_data_source.block           3500000
_rod_database.code               1000475
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
134.8804 0.0000000E+00
135.3625 0.9945070
135.8447 0.3804930
136.3268 1.237305
136.8089 3.800415
137.2910 7.174561
137.7731 11.23193
138.2552 15.52686
138.7374 19.66882
139.2195 26.97412
139.7016 38.99487
140.1837 52.68573
140.6658 61.01794
141.1479 61.96173
141.6301 62.49414
142.1122 66.23877
142.5943 75.28601
143.0764 81.58203
143.5585 84.02991
144.0406 83.74579
144.5228 84.83984
145.0049 88.51904
145.4870 92.04578
145.9691 94.00897
146.4512 94.63617
146.9333 93.48810
147.4155 90.76801
147.8976 86.31793
148.3797 79.25189
148.8618 67.23694
149.3439 54.23193
149.8260 42.78424
150.3082 30.48920
150.7903 22.25635
151.2724 19.61603
151.7545 22.78992
152.2366 25.38385
152.7188 25.45105
153.2009 25.61328
153.6830 27.97882
154.1651 35.06085
154.6472 42.07288
155.1293 47.48810
155.6115 51.17932
156.0936 56.35504
156.5757 63.63696
157.0578 72.21179
157.5399 81.54865
158.0220 91.24524
158.5042 101.8193
158.9863 113.6934
159.4684 128.0684
159.9505 141.1772
160.4326 150.2563
160.9147 157.1633
161.3969 163.5990
161.8790 173.8227
162.3611 181.2038
162.8432 181.6221
163.3253 173.1207
163.8074 162.1248
164.2896 148.7524
164.7717 134.9139
165.2538 124.4475
165.7359 119.8320
166.2180 118.7524
166.7001 119.4053
167.1823 121.1880
167.6644 125.5743
168.1465 136.9143
168.6286 152.0346
169.1107 164.3809
169.5928 173.7988
170.0750 178.5196
170.5571 176.1761
171.0392 164.5397
171.5213 147.0422
172.0034 124.0945
172.4855 97.05743
172.9677 72.31586
173.4498 53.55444
173.9319 39.42908
174.4140 28.15967
174.8961 19.71863
175.3782 13.42340
175.8604 8.550049
176.3425 5.039429
176.8246 2.575134
177.3067 1.248474
177.7888 0.7467040
178.2709 0.4747310
178.7531 0.4225460
179.2352 0.3774410
179.7173 7.9406999E-02
180.1994 0.9312130
180.6815 1.736450
181.1636 2.155701
181.6458 2.222290
182.1279 2.007324
182.6100 1.260620
183.0921 0.3613890
183.5742 0.4599000
184.0563 1.637146
184.5385 2.339172
185.0206 0.5991210
185.5027 3.149902
185.9848 6.731567
186.4669 9.217896
186.9490 10.99554
187.4312 13.51978
187.9133 16.85431
188.3954 20.14545
188.8775 21.41034
189.3596 21.01660
189.8417 22.69373
190.3239 29.24805
190.8060 39.44470
191.2881 46.25800
191.7702 49.04816
192.2523 50.71106
192.7344 55.84888
193.2166 64.21393
193.6987 71.14008
194.1808 74.81616
194.6629 75.34698
195.1450 74.57123
195.6271 72.77783
196.1093 68.96851
196.5914 60.66595
197.0735 47.47736
197.5556 34.61877
198.0377 23.98785
198.5198 15.48987
199.0020 9.241333
199.4841 5.671875
199.9662 3.557312
200.4483 0.6152340
200.9304 3.462830
201.4125 6.535461
201.8947 7.168396
202.3768 5.093506
202.8589 4.088135
203.3410 4.412415
203.8231 5.485413
204.3052 6.386597
204.7874 7.208923
205.2695 7.485413
205.7516 7.094727
206.2337 6.089539
206.7158 3.875305
207.1979 2.4963001E-02
207.6801 4.696655
208.1622 8.112366
208.6443 9.990723
209.1264 11.57391
209.6085 13.23138
210.0906 14.77124
210.5728 17.41748
211.0549 21.63440
211.5370 26.62939
212.0191 30.38019
212.5012 32.47058
212.9833 34.44336
213.4655 37.30646
213.9476 41.81726
214.4297 44.45624
214.9118 44.85742
215.3939 43.51038
215.8760 41.06622
216.3581 36.13422
216.8403 33.00317
217.3224 34.41870
217.8045 42.58948
218.2866 48.35388
218.7687 50.55707
219.2508 50.57385
219.7330 51.95264
220.2151 54.82623
220.6972 58.75250
221.1793 63.77716
221.6614 70.88556
222.1435 76.31171
222.6257 78.99207
223.1078 80.26013
223.5899 83.94531
224.0720 90.71198
224.5541 98.88361
225.0362 108.1667
225.5184 119.5320
226.0005 129.3317
226.4826 136.8333
226.9647 142.9575
227.4468 150.5117
227.9289 159.8196
228.4111 170.0204
228.8932 180.6886
229.3753 191.4937
229.8574 203.7814
230.3395 219.0714
230.8216 235.4010
231.3038 247.5013
231.7859 254.0063
232.2680 258.1313
232.7501 261.3527
233.2322 264.2904
233.7143 265.0652
234.1965 264.8568
234.6786 262.1995
235.1607 252.4937
235.6428 231.9394
236.1249 209.8777
236.6070 190.2073
237.0892 173.2477
237.5713 157.9061
238.0534 144.0479
238.5355 131.8033
239.0176 121.8539
239.4997 115.8530
239.9819 109.6580
240.4640 101.3640
240.9461 89.39325
241.4282 78.99432
241.9103 70.72369
242.3924 63.79724
242.8746 56.33850
243.3567 47.66309
243.8388 39.46399
244.3209 32.28333
244.8030 25.91779
245.2851 21.34698
245.7673 19.07990
246.2494 18.39447
246.7315 17.79114
247.2136 17.34430
247.6957 16.87720
248.1778 16.43274
248.6600 16.31451
249.1421 15.19855
249.6242 12.44165
250.1063 9.021729
250.5884 6.873657
251.0705 6.482910
251.5527 6.529114
252.0348 6.596497
252.5169 6.733643
252.9990 6.686157
253.4811 6.323792
253.9632 5.855774
254.4454 5.632080
254.9275 5.639648
255.4096 5.909363
255.8917 6.541809
256.3738 7.723267
256.8560 8.765320
257.3381 9.255981
257.8202 9.788940
258.3023 11.54938
258.7844 15.26306
259.2665 17.89520
259.7487 18.30145
260.2308 16.12927
260.7129 15.60187
261.1950 16.73798
261.6771 19.06305
262.1592 22.35614
262.6414 27.27197
263.1235 31.53424
263.6056 34.38879
264.0877 35.79895
264.5698 37.28442
265.0519 39.04340
265.5341 40.73450
266.0162 42.10986
266.4983 43.32147
266.9804 43.58710
267.4625 42.41736
267.9446 39.84601
268.4268 37.92462
268.9089 36.80811
269.3910 36.11737
269.8731 35.44971
270.3552 34.73578
270.8373 34.27350
271.3195 33.90833
271.8016 33.74933
272.2837 35.18738
272.7658 38.74664
273.2479 42.77490
273.7300 45.59570
274.2122 46.88306
274.6943 49.05505
275.1764 53.07874
275.6585 58.35901
276.1406 61.47687
276.6227 61.95673
277.1049 61.87769
277.5870 62.87823
278.0691 65.03296
278.5512 67.56989
279.0333 70.71466
279.5154 73.98511
279.9976 75.65942
280.4797 75.58057
280.9618 74.72107
281.4439 73.35333
281.9260 71.46552
282.4081 70.67383
282.8903 71.58112
283.3724 73.24841
283.8545 73.40759
284.3366 71.97339
284.8187 69.91534
285.3008 67.40283
285.7830 64.54163
286.2651 62.85504
286.7472 62.59808
287.2293 63.30743
287.7114 64.33044
288.1935 65.66138
288.6757 66.99084
289.1578 68.06226
289.6399 68.95093
290.1220 69.84387
290.6041 70.62848
291.0862 71.82562
291.5684 74.49622
292.0505 78.50421
292.5326 82.42487
293.0147 85.66040
293.4968 88.28870
293.9789 90.52722
294.4611 92.29547
294.9432 94.07642
295.4253 96.88605
295.9074 100.3728
296.3895 102.9229
296.8716 103.1225
297.3538 102.1315
297.8359 102.3940
298.3180 103.9580
298.8001 105.8565
299.2822 106.9259
299.7643 107.6144
300.2465 109.0383
300.7286 111.3550
301.2107 114.7593
301.6928 120.2408
302.1749 127.6096
302.6570 134.7397
303.1392 140.2994
303.6213 144.3785
304.1034 147.0479
304.5855 148.6485
305.0676 148.5346
305.5497 146.2898
306.0319 141.8867
306.5140 135.0699
306.9961 125.2415
307.4782 113.1429
307.9603 99.21881
308.4424 82.81244
308.9246 66.20667
309.4067 50.08179
309.8888 35.03442
310.3709 22.51147
310.8530 13.89789
311.3351 7.972351
311.8173 4.069397
312.2994 2.561890
312.7815 1.434204
313.2636 0.6935420
313.7457 3.245972
314.2278 5.200256
314.7100 5.904236
315.1921 5.999512
315.6742 5.665466
316.1563 4.796631
316.6384 4.257446
317.1205 4.919128
317.6027 5.993652
318.0848 6.483276
318.5669 5.515686
319.0490 4.408691
319.5311 3.708923
320.0132 3.463684
320.4954 3.187256
320.9775 3.171509
321.4596 2.876404
321.9417 1.843994
322.4238 0.3281860
322.9059 2.914795
323.3881 6.252747
323.8702 10.16669
324.3523 13.04443
324.8344 13.70361
325.3165 13.88892
325.7986 14.64563
326.2808 15.57574
326.7629 17.65771
327.2450 21.69745
327.7271 27.13690
328.2092 31.76025
328.6913 33.92877
329.1735 36.70630
329.6556 41.54364
330.1377 50.48956
330.6198 57.54053
331.1019 61.54657
331.5840 63.97040
332.0662 67.65143
332.5483 72.97833
333.0304 79.02435
333.5125 85.24640
333.9946 91.46045
334.4767 99.11615
334.9589 108.3022
335.4410 118.7220
335.9231 130.0869
336.4052 142.4255
336.8873 155.3516
337.3694 168.5401
337.8515 181.9896
338.3336 197.0259
338.8158 214.2001
339.2979 231.9092
339.7800 248.6564
340.2621 263.9521
340.7442 280.9240
341.2263 299.9056
341.7085 320.7961
342.1906 342.3724
342.6727 364.8477
343.1548 387.8889
343.6369 411.1730
344.1190 434.6097
344.6012 460.0924
345.0833 487.5080
345.5654 517.2904
346.0475 550.3597
346.5296 586.4958
347.0117 625.1329
347.4939 665.5176
347.9760 708.5122
348.4581 753.8796
348.9402 801.1392
349.4223 851.1972
349.9044 903.4451
350.3866 957.2600
350.8687 1011.068
351.3508 1066.661
351.8329 1121.312
352.3150 1172.779
352.7971 1221.125
353.2793 1261.778
353.7614 1293.704
354.2435 1316.094
354.7256 1328.065
355.2077 1331.206
355.6898 1321.191
356.1720 1291.923
356.6541 1245.222
357.1362 1189.462
357.6183 1125.377
358.1004 1055.931
358.5826 982.9197
359.0647 904.8518
359.5468 828.0527
360.0289 754.6081
360.5110 684.8370
360.9931 619.2252
361.4753 558.4667
361.9574 502.4839
362.4395 451.2578
362.9216 404.6624
363.4037 363.2784
363.8858 328.9950
364.3680 299.3380
364.8501 271.6264
365.3322 245.4379
365.8143 221.6453
366.2964 200.4143
366.7785 181.5690
367.2607 165.0195
367.7428 151.3816
368.2249 139.3547
368.7070 128.3027
369.1891 119.4127
369.6712 110.0494
370.1534 99.07965
370.6355 87.48932
371.1176 78.43420
371.5997 73.23181
372.0818 68.62592
372.5639 63.30933
373.0461 56.85565
373.5282 51.10028
374.0103 46.08563
374.4924 41.63025
374.9745 37.53906
375.4566 33.84845
375.9388 30.21930
376.4209 26.40674
376.9030 22.49384
377.3851 20.66772
377.8672 21.63269
378.3493 22.38593
378.8315 19.13556
379.3136 11.77930
379.7957 6.780701
380.2778 5.763733
380.7599 7.314026
381.2420 8.257385
381.7242 8.573730
382.2063 9.040405
382.6884 10.29132
383.1705 12.10565
383.6526 13.61444
384.1347 14.62610
384.6169 15.67383
385.0990 17.31744
385.5811 19.50708
386.0632 22.03552
386.5453 25.25201
387.0274 28.55273
387.5096 30.80933
387.9917 32.01965
388.4738 33.50562
388.9559 35.74921
389.4380 39.00171
389.9201 43.73969
390.4023 51.22650
390.8844 58.92932
391.3665 64.41034
391.8486 68.50787
392.3307 74.09125
392.8128 83.22369
393.2950 93.85559
393.7771 104.6526
394.2592 115.0911
394.7413 126.3821
395.2234 139.2287
395.7055 153.0079
396.1877 166.7619
396.6698 180.3451
397.1519 193.7965
397.6340 207.8170
398.1161 222.7516
398.5982 235.1774
399.0804 248.0061
399.5625 256.3412
400.0446 256.5823
400.5267 246.2245
401.0088 231.2190
401.4909 210.0095
401.9731 184.4102
402.4552 162.1139
402.9373 144.2599
403.4194 127.8464
403.9015 111.5881
404.3836 95.49475
404.8658 79.11670
405.3479 61.74213
405.8300 45.23901
406.3121 32.14948
406.7942 22.57001
407.2763 15.71863
407.7585 11.93884
408.2406 10.72656
408.7227 9.571594
409.2048 8.496826
409.6869 7.245178
410.1690 5.614380
410.6512 3.623474
411.1333 1.132141
411.6154 2.261902
412.0975 5.465332
412.5796 6.470276
413.0617 5.648499
413.5439 4.895020
414.0260 5.739502
414.5081 7.120361
414.9902 7.468872
415.4723 6.609192
415.9544 5.350769
416.4366 4.271790
416.9187 3.234863
417.4008 2.044739
417.8829 6.8359002E-02
418.3650 1.772705
418.8471 2.005066
419.3293 0.9909670
419.8114 0.1317140
420.2935 0.1187130
420.7756 0.4051510
421.2577 0.7057500
421.7398 1.365112
422.2220 1.304321
422.7041 0.5495000
423.1862 3.147034
423.6683 4.612061
424.1504 4.341187
424.6325 3.288940
425.1147 1.384155
425.5968 1.596130
426.0789 3.545410
426.5610 3.054199
427.0431 2.811523
427.5252 5.088013
428.0074 10.78558
428.4895 16.98389
428.9716 23.69012
429.4537 30.48975
429.9358 35.80334
430.4179 39.25067
430.9001 42.48364
431.3822 46.84735
431.8643 52.39374
432.3464 55.37250
432.8285 55.57935
433.3106 53.87000
433.7928 50.85583
434.2749 46.65887
434.7570 42.19501
435.2391 37.23151
435.7212 32.58521
436.2033 30.08923
436.6855 29.62933
437.1676 29.81982
437.6497 29.51489
438.1318 29.28674
438.6139 29.94916
439.0960 31.59326
439.5782 34.28387
440.0603 38.19550
440.5424 43.33624
441.0245 49.56165
441.5066 57.16870
441.9887 65.48407
442.4709 74.37885
442.9530 83.78992
443.4351 92.89838
443.9172 100.0765
444.3993 107.5444
444.8814 116.7747
445.3636 127.8961
445.8457 141.0242
446.3278 157.3076
446.8099 175.5664
447.2920 193.2552
447.7741 206.9745
448.2563 223.7748
448.7384 245.6065
449.2205 273.2152
449.7026 302.4115
450.1847 333.1963
450.6668 365.1547
451.1490 398.0258
451.6311 432.2996
452.1132 465.7769
452.5953 497.7200
453.0774 529.2197
453.5595 566.1312
454.0417 609.2936
454.5238 651.3167
455.0059 689.1336
455.4880 722.6274
455.9701 752.1019
456.4522 776.8765
456.9344 801.1136
457.4165 828.5010
457.8986 859.0060
458.3807 891.2232
458.8628 922.2033
459.3449 957.9283
459.8271 1006.271
460.3092 1066.014
460.7913 1132.548
461.2734 1205.221
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