#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:47:21 +0300 (Thu, 24 May 2018) $
#$Revision: 771 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000270.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_1000270
loop_
_publ_author_name
'Le Page, Y.'
'Perrault, G.'
_publ_section_title
;
 Structure cristalline de la lemoynite, (Na,K)2CaZr2Si10O26,5-6H2O Note:
 x-coordinate of Na1 changed.
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              132
_journal_page_last               138
_journal_volume                  14
_journal_year                    1976
_chemical_compound_source        R080106
_chemical_formula_sum
'Ca0.83 Cu0.01 Fe0.08 H14 K Mg0.04 Na Nb0.08 O32 Si10 Ti0.06 Zn0.02 Zr1.86'
_chemical_name_mineral           Lemoynite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.59
_cell_angle_gamma                90
_cell_length_a                   10.384
_cell_length_b                   15.947
_cell_length_c                   18.601
_cell_volume                     2980.880
_exptl_crystal_density_diffrn    2.428
_cod_original_formula_sum
'(Zr1.86 Nb.08 Ti.06) Si10 Ca.83 Fe.08 Zn.02 Cu.01 Mg.04 Na K O32 H14'
_cod_database_code               9004099
_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            R080106.rod
_rod_data_source.block           3500000
_rod_database.code               1000270
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 9004099 COD http://www.crystallography.net/cod/9004099.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
145.3864 0.0000000E+00
145.8685 0.1831670
146.3506 1.310669
146.8327 4.020630
147.3148 7.687805
147.7969 12.52197
148.2791 16.89874
148.7612 20.46136
149.2433 23.45837
149.7254 26.59155
150.2075 29.35162
150.6896 32.65472
151.1718 36.92407
151.6539 44.26642
152.1360 49.42432
152.6181 50.90271
153.1002 49.92059
153.5823 50.14789
154.0645 53.17200
154.5466 56.44769
155.0287 58.88885
155.5108 59.95062
155.9929 60.66455
156.4750 60.99377
156.9572 60.96405
157.4393 60.81580
157.9214 60.95245
158.4035 60.73846
158.8856 59.86145
159.3677 57.85980
159.8499 55.52612
160.3320 53.17645
160.8141 50.85370
161.2962 48.23322
161.7783 44.35516
162.2604 40.36011
162.7426 37.15216
163.2247 35.84167
163.7068 34.95190
164.1889 34.13257
164.6710 33.10876
165.1531 32.10974
165.6353 31.59229
166.1174 31.22540
166.5995 30.82153
167.0816 30.49921
167.5637 29.89246
168.0458 29.27817
168.5280 28.35779
169.0101 26.96173
169.4922 26.33826
169.9743 25.91470
170.4564 25.08914
170.9385 23.59415
171.4207 21.80865
171.9028 19.92889
172.3849 17.99435
172.8670 16.17517
173.3491 14.53799
173.8312 13.04663
174.3134 11.64255
174.7955 10.55597
175.2776 9.538452
175.7597 8.161713
176.2418 6.341919
176.7239 4.699432
177.2061 3.992188
177.6882 3.819519
178.1703 3.596649
178.6524 3.472046
179.1345 3.153656
179.6166 3.027405
180.0988 3.225708
180.5809 3.321198
181.0630 2.776550
181.5451 1.678528
182.0272 0.4322200
182.5093 0.9735410
182.9915 2.362946
183.4736 3.223785
183.9557 3.445007
184.4378 3.319946
184.9199 3.270935
185.4020 3.319977
185.8842 3.339203
186.3663 3.101685
186.8484 2.702332
187.3305 2.464905
187.8126 2.452179
188.2947 2.422333
188.7769 2.138977
189.2590 1.561584
189.7411 1.102264
190.2232 1.344849
190.7053 2.107697
191.1874 1.893341
191.6696 0.3164060
192.1517 1.750275
192.6338 2.527466
193.1159 1.966827
193.5980 1.634003
194.0801 2.723450
194.5623 5.106201
195.0444 6.990570
195.5265 8.102295
196.0086 8.782959
196.4907 9.549591
196.9728 10.33569
197.4550 11.72647
197.9371 14.53125
198.4192 18.78741
198.9013 22.01566
199.3834 23.88019
199.8655 24.72467
200.3477 25.47079
200.8298 26.22980
201.3119 26.36017
201.7940 25.32291
202.2761 23.02502
202.7582 20.64856
203.2404 18.72937
203.7225 16.81189
204.2046 14.67871
204.6867 12.23550
205.1688 9.871490
205.6509 7.842194
206.1331 6.144379
206.6152 4.681671
207.0973 3.497284
207.5794 2.515076
208.0615 1.409363
208.5436 2.1360000E-03
209.0258 1.065857
209.5079 1.192963
209.9900 9.7778000E-02
210.4721 0.5108340
210.9542 0.2376100
211.4363 0.5285030
211.9185 0.4619140
212.4006 0.5670170
212.8827 2.145630
213.3648 4.069244
213.8469 6.444885
214.3290 8.839111
214.8112 11.32446
215.2933 13.77118
215.7754 15.73758
216.2575 17.02759
216.7396 18.20483
217.2217 19.66104
217.7038 21.62231
218.1860 23.15070
218.6681 24.11487
219.1502 24.60760
219.6323 24.98999
220.1144 25.43314
220.5965 25.48233
221.0787 24.85968
221.5608 23.45203
222.0429 21.68073
222.5250 19.45828
223.0071 16.90802
223.4892 14.48486
223.9714 11.89713
224.4535 9.872437
224.9356 9.012665
225.4177 10.31061
225.8998 10.31064
226.3819 8.269257
226.8641 4.883423
227.3462 2.586792
227.8283 1.539032
228.3104 1.325226
228.7925 1.897247
229.2746 3.916199
229.7568 5.100494
230.2389 4.668549
230.7210 3.462341
231.2031 4.404297
231.6852 8.979614
232.1673 13.49478
232.6495 16.09628
233.1316 16.08615
233.6137 15.65225
234.0958 14.51443
234.5779 13.04681
235.0600 12.35629
235.5422 12.78418
236.0243 13.50946
236.5064 14.13376
236.9885 14.38687
237.4706 15.15305
237.9527 16.52582
238.4349 18.38324
238.9170 20.41251
239.3991 22.60025
239.8812 24.91498
240.3633 27.38232
240.8454 30.24695
241.3276 32.67316
241.8097 34.56116
242.2918 36.08691
242.7739 37.53351
243.2560 38.80951
243.7381 40.13876
244.2203 41.68356
244.7024 43.68112
245.1845 45.25549
245.6666 46.33569
246.1487 47.00616
246.6308 47.44659
247.1130 47.59048
247.5951 47.65826
248.0772 47.72974
248.5593 47.90027
249.0414 47.62982
249.5235 46.89822
250.0057 45.85889
250.4878 44.65375
250.9699 43.07410
251.4520 41.63916
251.9341 40.63559
252.4162 40.23453
252.8984 39.40411
253.3805 37.96234
253.8626 36.19952
254.3447 34.57166
254.8268 33.04892
255.3089 31.68549
255.7911 30.59250
256.2732 29.83807
256.7553 28.76782
257.2374 27.21298
257.7195 25.48178
258.2017 23.98914
258.6838 22.90701
259.1659 21.63541
259.6480 19.91367
260.1301 17.72745
260.6122 15.93567
261.0944 14.73471
261.5765 13.65732
262.0586 12.06311
262.5407 9.533722
263.0228 7.673187
263.5049 6.971619
263.9871 7.379272
264.4692 7.769104
264.9513 8.166351
265.4334 8.522339
265.9155 8.769653
266.3976 8.819489
266.8798 8.912689
267.3619 9.206329
267.8440 9.741699
268.3261 10.03085
268.8082 9.829956
269.2903 9.726776
269.7725 10.42801
270.2546 12.23068
270.7367 13.62192
271.2188 14.22229
271.7009 14.26080
272.1830 14.72638
272.6652 15.67218
273.1473 16.90997
273.6294 18.39029
274.1115 20.24820
274.5936 21.62268
275.0757 22.41080
275.5579 22.69556
276.0400 22.57455
276.5221 21.94232
277.0042 21.34161
277.4863 21.10928
277.9684 21.25815
278.4506 21.18655
278.9327 20.77731
279.4148 20.23907
279.8969 19.87051
280.3790 19.64685
280.8611 19.76016
281.3433 20.56290
281.8254 22.05161
282.3075 22.86523
282.7896 22.86292
283.2717 22.45731
283.7538 22.16800
284.2360 21.98676
284.7181 22.06119
285.2002 22.48956
285.6823 23.26294
286.1644 24.29895
286.6465 25.64337
287.1287 27.09854
287.6108 28.35632
288.0929 29.41226
288.5750 30.48441
289.0571 31.70682
289.5392 33.09583
290.0214 34.60721
290.5035 36.28540
290.9856 37.54315
291.4677 37.32440
291.9498 35.92102
292.4319 35.21735
292.9141 36.17804
293.3962 37.97397
293.8783 38.63702
294.3604 38.13260
294.8425 37.31784
295.3246 36.75983
295.8068 36.47659
296.2889 36.57281
296.7710 37.25159
297.2531 38.05136
297.7352 38.06299
298.2173 37.44482
298.6995 37.04611
299.1816 37.71692
299.6637 39.02994
300.1458 40.01794
300.6279 40.38135
301.1100 40.64789
301.5922 41.52084
302.0743 42.87778
302.5564 44.23883
303.0385 45.33054
303.5206 46.24219
304.0027 47.11557
304.4849 47.94562
304.9670 48.76483
305.4491 49.68185
305.9312 50.61191
306.4133 51.35260
306.8954 52.18405
307.3776 52.58908
307.8597 51.82489
308.3418 49.76538
308.8239 47.54477
309.3060 46.01321
309.7881 44.86865
310.2703 43.67487
310.7524 42.38574
311.2345 40.88010
311.7166 38.94308
312.1987 36.59436
312.6808 34.37396
313.1630 32.76398
313.6451 31.34937
314.1272 29.66574
314.6093 27.12665
315.0914 24.70035
315.5735 22.95856
316.0557 21.79532
316.5378 20.66684
317.0199 19.46448
317.5020 18.14081
317.9841 16.60248
318.4662 14.52112
318.9484 12.73502
319.4305 11.95975
319.9126 11.73810
320.3947 10.85989
320.8768 7.665802
321.3589 4.726196
321.8411 3.496094
322.3232 4.988770
322.8053 6.172729
323.2874 6.517426
323.7695 6.196289
324.2516 5.484589
324.7338 3.664520
325.2159 2.157440
325.6980 1.467621
326.1801 1.775360
326.6622 2.162720
327.1443 2.804993
327.6265 3.399902
328.1086 3.644745
328.5907 3.541565
329.0728 3.075989
329.5549 1.905212
330.0370 1.3275000E-02
330.5192 0.8720400
331.0013 6.1767999E-02
331.4834 1.166901
331.9655 1.981628
332.4476 2.424896
332.9297 2.347382
333.4119 1.460052
333.8940 7.6600001E-03
334.3761 0.9295960
334.8582 1.281708
335.3403 1.222046
335.8224 0.7457580
336.3046 0.3878480
336.7867 1.202240
337.2688 1.635498
337.7509 1.773651
338.2330 1.780823
338.7151 1.631409
339.1973 1.423981
339.6794 1.087524
340.1615 0.5968320
340.6436 0.7570500
341.1257 1.801971
341.6078 3.004913
342.0899 3.384094
342.5721 2.886627
343.0542 2.279938
343.5363 1.722382
344.0184 1.250732
344.5005 1.111938
344.9826 1.364594
345.4648 1.542175
345.9469 1.137482
346.4290 0.2152100
346.9111 0.6961670
347.3932 1.571777
347.8753 2.311310
348.3575 2.560303
348.8396 2.373413
349.3217 2.293854
349.8038 3.007324
350.2859 4.099396
350.7680 4.472473
351.2502 3.902374
351.7323 3.000641
352.2144 2.378845
352.6965 1.982483
353.1786 1.668945
353.6607 1.641632
354.1429 1.518219
354.6250 0.7684630
355.1071 0.6474000
355.5892 2.348022
356.0713 4.113708
356.5534 5.969299
357.0356 7.955017
357.5177 10.53662
357.9998 12.89267
358.4819 14.08136
358.9640 14.32748
359.4461 14.85016
359.9283 16.34641
360.4104 18.35599
360.8925 20.57382
361.3746 23.30655
361.8567 25.57202
362.3388 26.67511
362.8210 26.99545
363.3031 27.43018
363.7852 28.29147
364.2673 29.29724
364.7494 30.33102
365.2315 31.38654
365.7137 32.44775
366.1958 33.56400
366.6779 34.65445
367.1600 35.63464
367.6421 36.46567
368.1242 37.21832
368.6064 37.92520
369.0885 38.59311
369.5706 39.11597
370.0527 39.45566
370.5348 39.69092
371.0169 39.84967
371.4991 39.66190
371.9812 39.89786
372.4633 40.95648
372.9454 42.47150
373.4275 43.15894
373.9096 42.98575
374.3918 42.05719
374.8739 40.25043
375.3560 37.23550
375.8381 34.77341
376.3202 33.00571
376.8023 31.63400
377.2845 30.09399
377.7666 28.25101
378.2487 27.05957
378.7308 27.15280
379.2129 28.25058
379.6950 28.36804
380.1772 27.37885
380.6593 26.05872
381.1414 25.09256
381.6235 24.44937
382.1056 23.71909
382.5877 22.68518
383.0699 21.71219
383.5520 21.69373
384.0341 22.54593
384.5162 23.35172
384.9983 23.29477
385.4804 22.80847
385.9626 22.92923
386.4447 23.85175
386.9268 24.87695
387.4089 25.48245
387.8910 25.64368
388.3731 25.27707
388.8553 23.68381
389.3374 22.04929
389.8195 21.73819
390.3016 22.68832
390.7837 23.68417
391.2658 23.99954
391.7480 23.94519
392.2301 23.80939
392.7122 23.66360
393.1943 23.55469
393.6764 23.34402
394.1585 23.19635
394.6407 23.50552
395.1228 25.07028
395.6049 26.61911
396.0870 27.37027
396.5691 26.80453
397.0512 26.84723
397.5334 28.33313
398.0155 30.47842
398.4976 32.28156
398.9797 32.81250
399.4618 33.89526
399.9439 36.18781
400.4261 39.67462
400.9082 42.42242
401.3903 43.84738
401.8724 45.06967
402.3545 46.75809
402.8366 48.82217
403.3188 51.54675
403.8009 55.28055
404.2830 59.73175
404.7651 64.05792
405.2472 68.19183
405.7293 72.01196
406.2115 75.35461
406.6936 78.19385
407.1757 81.70953
407.6578 86.01395
408.1399 90.50781
408.6220 94.58707
409.1042 98.32040
409.5863 102.2620
410.0684 106.6517
410.5505 111.2096
411.0326 115.5179
411.5147 119.5742
411.9969 123.4769
412.4790 127.3382
412.9611 131.2064
413.4432 135.0267
413.9253 138.8567
414.4074 142.6248
414.8896 146.4978
415.3717 150.2631
415.8538 153.4097
416.3359 155.4003
416.8180 156.8666
417.3001 158.2626
417.7823 159.6248
418.2644 160.8636
418.7465 162.0848
419.2286 163.1331
419.7107 163.8264
420.1928 163.8878
420.6750 163.8966
421.1571 163.9686
421.6392 164.1407
422.1213 164.5119
422.6034 165.3472
423.0855 166.1793
423.5677 166.8059
424.0498 167.1396
424.5319 167.5331
425.0140 168.1304
425.4961 168.7678
425.9782 169.2773
426.4604 169.5328
426.9425 169.8727
427.4246 170.3640
427.9067 170.9980
428.3888 171.6313
428.8709 172.1967
429.3531 172.8788
429.8352 174.0338
430.3173 175.9739
430.7994 176.6168
431.2815 175.7568
431.7636 173.8098
432.2458 171.4474
432.7279 168.6766
433.2100 165.1960
433.6921 160.6469
434.1742 155.3127
434.6563 150.3383
435.1385 145.6646
435.6206 141.1638
436.1027 136.8205
436.5848 132.5585
437.0669 128.0918
437.5490 123.2152
438.0312 118.4966
438.5133 114.5627
438.9954 111.2738
439.4775 108.2288
439.9596 105.1293
440.4417 102.2544
440.9239 99.92914
441.4060 98.17731
441.8881 96.57318
442.3702 94.93103
442.8523 93.31470
443.3344 91.77899
443.8166 90.58716
444.2987 89.17804
444.7808 87.33539
445.2629 85.12897
445.7450 82.75574
446.2271 80.26910
446.7093 77.64984
447.1914 74.83105
447.6735 71.65948
448.1556 68.78778
448.6377 66.86090
449.1198 64.82471
449.6020 61.45892
450.0841 55.90497
450.5662 50.98535
451.0483 47.27728
451.5304 44.51093
452.0125 41.53748
452.4947 38.22717
452.9768 35.03741
453.4589 32.34442
453.9410 30.14520
454.4231 27.31464
454.9052 23.59882
455.3874 19.86047
455.8695 17.29523
456.3516 15.74829
456.8337 14.17633
457.3158 12.15155
457.7979 9.956665
458.2801 8.041565
458.7622 6.406250
459.2443 4.983521
459.7264 4.156372
460.2085 3.372925
460.6906 1.692322
461.1728 1.261047
461.6549 3.918030
462.1370 4.921265
462.6191 4.923218
463.1012 4.854553
463.5833 5.031433
464.0655 5.243225
464.5476 5.436157
465.0297 5.604553
465.5118 5.690735
465.9939 5.655212
466.4760 5.563904
466.9582 5.461670
467.4403 5.411560
467.9224 5.249634
468.4045 4.937988
468.8866 4.535461
469.3687 4.093079
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