#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:42:19 +0300 (Thu, 07 Jun 2018) $
#$Revision: 939 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000410.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_1000410
loop_
_publ_author_name
'Brugger, J.'
'Meisser, N.'
'Schenk, K.'
'Berlepsch, P.'
'Bonin, M.'
'Armbruster, T.'
'Nyfeler, D.'
'Schmidt, S.'
_publ_section_title
;
 Description and crystal structure of cabalzarite
 Ca(Mg,Al,Fe)2(AsO4)2(H2O,OH)2, a new mineral of the tsumcorite group
 Locality: Falotta, Graubunden, Switzerland Sample: CABA11.5, Lausanne
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1307
_journal_page_last               1314
_journal_volume                  85
_journal_year                    2000
_chemical_compound_source        R060658
_chemical_formula_sum
'Al0.816 As2 Ca Fe0.354 H3 Mg0.784 Mn0.046 O10'
_chemical_name_mineral           Cabalzarite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.25
_cell_angle_gamma                90
_cell_length_a                   8.925
_cell_length_b                   6.143
_cell_length_c                   7.352
_cell_volume                     364.570
_exptl_crystal_density_diffrn    3.792
_cod_original_formula_sum        'Ca (Mg.784 Al.816 Fe.354 Mn.046) As2 O10 H3'
_cod_database_code               9002429
_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            R060658.rod
_rod_data_source.block           3500000
_rod_database.code               1000410
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 9002429 COD http://www.crystallography.net/cod/9002429.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
135.022 0.000
135.504 47.844
135.986 96.785
136.469 109.338
136.951 128.565
137.433 147.002
137.915 164.567
138.397 177.171
138.879 196.925
139.361 214.167
139.844 231.487
140.326 252.804
140.808 267.206
141.290 288.354
141.772 310.249
142.254 337.563
142.736 364.443
143.218 389.043
143.700 412.129
144.182 424.806
144.665 458.448
145.147 487.073
145.629 510.941
146.111 515.668
146.593 545.212
147.075 564.868
147.557 584.152
148.040 617.299
148.522 625.003
149.004 657.987
149.486 679.076
149.968 701.924
150.450 731.341
150.932 771.594
151.414 814.937
151.896 861.859
152.378 917.015
152.861 962.663
153.343 988.351
153.825 1006.414
154.307 1034.441
154.789 1052.943
155.271 1084.960
155.753 1113.715
156.235 1139.382
156.718 1157.180
157.200 1163.607
157.682 1181.480
158.164 1196.186
158.646 1191.922
159.128 1190.385
159.610 1204.667
160.092 1254.358
160.574 1301.917
161.057 1334.528
161.539 1353.950
162.021 1371.310
162.503 1375.349
162.985 1385.335
163.467 1392.282
163.949 1426.012
164.431 1453.240
164.913 1474.317
165.396 1470.825
165.878 1499.068
166.360 1514.593
166.842 1529.600
167.324 1562.313
167.806 1574.211
168.288 1569.590
168.770 1585.006
169.253 1595.566
169.735 1601.532
170.217 1589.120
170.699 1600.455
171.181 1604.477
171.663 1611.591
172.145 1606.558
172.627 1603.441
173.109 1569.236
173.592 1550.566
174.074 1528.132
174.556 1502.128
175.038 1461.885
175.520 1440.047
176.002 1410.838
176.484 1381.329
176.966 1362.093
177.449 1323.936
177.931 1303.537
178.413 1263.382
178.895 1223.274
179.377 1169.646
179.859 1105.369
180.341 1038.728
180.823 968.700
181.305 899.250
181.788 838.639
182.270 786.616
182.752 742.221
183.234 708.521
183.716 683.186
184.198 657.406
184.680 627.195
185.162 593.728
185.645 558.701
186.127 522.486
186.609 484.329
187.091 438.658
187.573 387.168
188.055 345.597
188.537 328.822
189.019 331.567
189.501 326.994
189.984 311.560
190.466 291.540
190.948 278.521
191.430 272.588
191.912 268.101
192.394 260.224
192.876 249.325
193.358 243.596
193.840 246.254
194.323 252.640
194.805 251.077
195.287 240.995
195.769 226.849
196.251 207.792
196.733 183.610
197.215 171.984
197.697 179.319
198.180 201.124
198.662 219.506
199.144 234.544
199.626 246.029
200.108 253.432
200.590 256.439
201.072 257.038
201.554 252.403
202.036 244.080
202.519 252.151
203.001 281.501
203.483 316.623
203.965 336.675
204.447 337.598
204.929 342.733
205.411 360.784
205.893 392.161
206.376 420.955
206.858 447.721
207.340 470.889
207.822 486.260
208.304 490.341
208.786 497.900
209.268 517.313
209.750 552.135
210.232 574.401
210.715 577.900
211.197 574.543
211.679 589.648
212.161 629.795
212.643 672.982
213.125 708.536
213.607 733.461
214.089 762.889
214.572 796.231
215.054 834.635
215.536 885.617
216.018 959.302
216.500 1026.010
216.982 1067.342
217.464 1071.829
217.946 1082.823
218.428 1101.517
218.911 1128.575
219.393 1167.043
219.875 1220.821
220.357 1280.216
220.839 1340.513
221.321 1406.325
221.803 1460.477
222.285 1497.202
222.768 1519.734
223.250 1552.236
223.732 1601.407
224.214 1652.412
224.696 1694.022
225.178 1720.384
225.660 1749.894
226.142 1786.227
226.624 1829.362
227.107 1869.515
227.589 1905.926
228.071 1940.046
228.553 1972.407
229.035 2002.897
229.517 2030.630
229.999 2042.814
230.481 2036.645
230.964 2017.449
231.446 1998.254
231.928 1979.071
232.410 1959.907
232.892 1940.777
233.374 1921.703
233.856 1902.691
234.338 1883.773
234.820 1864.961
235.303 1846.212
235.785 1827.458
236.267 1808.675
236.749 1776.157
237.231 1736.768
237.713 1679.325
238.195 1599.533
238.677 1524.307
239.160 1453.146
239.642 1386.967
240.124 1327.112
240.606 1273.991
241.088 1226.554
241.570 1182.851
242.052 1139.535
242.534 1086.246
243.016 1059.528
243.499 1026.333
243.981 987.024
244.463 923.246
244.945 891.031
245.427 846.157
245.909 800.717
246.391 772.899
246.873 712.609
247.355 684.506
247.838 643.559
248.320 608.495
248.802 560.695
249.284 516.493
249.766 495.525
250.248 461.504
250.730 405.026
251.212 339.290
251.695 297.647
252.177 295.829
252.659 291.937
253.141 265.087
253.623 197.443
254.105 154.261
254.587 144.809
255.069 156.372
255.551 155.558
256.034 135.937
256.516 115.228
256.998 101.531
257.480 96.975
257.962 94.759
258.444 99.092
258.926 104.185
259.408 88.338
259.891 32.602
260.373 9.399
260.855 17.961
261.337 6.789
261.819 0.408
262.301 1.444
262.783 14.814
263.265 7.689
263.747 9.932
264.229 12.559
264.712 2.140
265.194 15.761
265.676 5.548
266.158 4.848
266.640 0.207
267.122 4.166
267.604 5.626
268.086 2.347
268.569 5.098
269.051 5.150
269.533 2.082
270.015 16.618
270.497 44.470
270.979 58.109
271.461 52.325
271.943 47.479
272.426 59.316
272.908 92.293
273.390 113.380
273.872 115.098
274.354 105.567
274.836 110.129
275.318 132.288
275.800 155.380
276.282 166.385
276.765 163.359
277.247 168.092
277.729 186.005
278.211 210.324
278.693 221.768
279.175 218.711
279.657 210.349
280.139 198.439
280.621 182.461
281.104 177.282
281.586 156.920
282.068 161.318
282.550 159.708
283.032 152.414
283.514 122.401
283.996 121.728
284.478 109.301
284.961 96.393
285.443 99.856
285.925 73.158
286.407 76.367
286.889 65.454
287.371 60.537
287.853 48.278
288.335 29.984
288.818 15.818
289.300 8.274
289.782 3.510
290.264 4.851
290.746 16.815
291.228 31.614
291.710 53.405
292.192 78.724
292.674 93.004
293.156 92.285
293.639 84.267
294.121 81.358
294.603 82.951
295.085 83.721
295.567 78.717
296.049 70.210
296.531 63.897
297.013 60.199
297.496 59.154
297.978 65.375
298.460 76.267
298.942 79.407
299.424 59.168
299.906 27.459
300.388 7.671
300.870 5.599
301.353 7.477
301.835 6.730
302.317 0.431
302.799 0.918
303.281 26.522
303.763 46.035
304.245 59.782
304.727 50.485
305.209 70.951
305.691 79.493
306.174 93.946
306.656 109.731
307.138 141.063
307.620 177.275
308.102 208.482
308.584 234.269
309.066 253.995
309.548 262.507
310.031 265.091
310.513 272.135
310.995 294.055
311.477 318.805
311.959 334.662
312.441 338.443
312.923 348.020
313.405 379.206
313.888 421.906
314.370 460.052
314.852 484.257
315.334 505.559
315.816 532.846
316.298 568.193
316.780 594.750
317.262 595.680
317.744 586.988
318.227 587.713
318.709 609.803
319.191 637.209
319.673 666.549
320.155 698.065
320.637 723.031
321.119 736.846
321.601 744.005
322.083 748.865
322.566 750.850
323.048 751.828
323.530 749.638
324.012 743.963
324.494 746.325
324.976 766.410
325.458 790.719
325.940 808.856
326.422 817.851
326.905 822.345
327.387 824.507
327.869 824.017
328.351 813.679
328.833 782.753
329.315 749.546
329.797 725.440
330.280 715.344
330.762 707.901
331.244 703.282
331.726 701.054
332.208 698.056
332.690 691.914
333.172 687.803
333.654 689.224
334.136 700.262
334.618 707.669
335.101 707.220
335.583 703.502
336.065 713.282
336.547 743.317
337.029 773.483
337.511 790.546
337.993 788.980
338.475 798.069
338.958 819.344
339.440 851.081
339.922 890.066
340.404 937.541
340.886 988.095
341.368 1043.605
341.850 1104.207
342.332 1147.518
342.815 1165.562
343.297 1180.654
343.779 1235.386
344.261 1331.441
344.743 1415.920
345.225 1458.722
345.707 1468.010
346.189 1493.362
346.671 1536.379
347.154 1586.478
347.636 1633.842
348.118 1678.275
348.600 1719.847
349.082 1755.483
349.564 1789.175
350.046 1832.991
350.528 1887.199
351.010 1939.260
351.493 1979.095
351.975 2007.767
352.457 2028.063
352.939 2036.747
353.421 2040.539
353.903 2047.907
354.385 2058.367
354.867 2067.330
355.349 2078.265
355.832 2083.958
356.314 2073.212
356.796 2030.886
357.278 1988.665
357.760 1973.140
358.242 1978.606
358.724 1982.099
359.207 1975.171
359.689 1959.493
360.171 1934.088
360.653 1890.509
361.135 1853.940
361.617 1839.760
362.099 1840.601
362.581 1839.988
363.063 1827.548
363.546 1815.822
364.028 1801.544
364.510 1801.285
364.992 1797.636
365.474 1790.782
365.956 1771.081
366.438 1767.993
366.920 1758.262
367.402 1748.270
367.885 1747.548
368.367 1729.772
368.849 1728.928
369.331 1721.341
369.813 1716.857
370.295 1704.306
370.777 1701.523
371.259 1707.228
371.741 1714.152
372.224 1722.348
372.706 1739.302
373.188 1775.727
373.670 1807.118
374.152 1809.854
374.634 1768.781
375.116 1744.237
375.598 1747.644
376.081 1771.960
376.563 1792.771
377.045 1812.232
377.527 1821.546
378.009 1808.260
378.491 1770.716
378.973 1752.430
379.455 1761.194
379.938 1784.307
380.420 1799.264
380.902 1806.288
381.384 1808.140
381.866 1802.490
382.348 1792.192
382.830 1792.946
383.312 1808.115
383.794 1820.292
384.276 1798.111
384.759 1751.587
385.241 1719.612
385.723 1731.805
386.205 1763.400
386.687 1777.995
387.169 1775.478
387.651 1762.283
388.134 1735.213
388.616 1702.441
389.098 1676.398
389.580 1664.641
390.062 1657.723
390.544 1652.531
391.026 1647.473
391.508 1635.000
391.990 1597.547
392.473 1558.850
392.955 1540.208
393.437 1562.415
393.919 1577.525
394.401 1559.327
394.883 1520.265
395.365 1488.220
395.847 1475.272
396.329 1467.601
396.812 1460.564
397.294 1455.469
397.776 1445.532
398.258 1426.624
398.740 1403.235
399.222 1381.375
399.704 1357.274
400.186 1339.003
400.668 1331.920
401.151 1337.785
401.633 1330.223
402.115 1297.266
402.597 1262.664
403.079 1247.318
403.561 1260.041
404.043 1270.311
404.525 1272.679
405.008 1269.528
405.490 1271.679
405.972 1280.407
406.454 1290.780
406.936 1298.865
407.418 1304.388
407.900 1315.717
408.382 1336.019
408.865 1357.763
409.347 1366.178
409.829 1361.501
410.311 1355.023
410.793 1351.423
411.275 1350.396
411.757 1348.125
412.239 1343.276
412.721 1347.661
413.203 1382.447
413.686 1437.119
414.168 1483.545
414.650 1502.922
415.132 1514.940
415.614 1541.562
416.096 1581.359
416.578 1624.544
417.060 1666.215
417.543 1706.977
418.025 1746.559
418.507 1787.083
418.989 1823.935
419.471 1851.182
419.953 1872.710
420.435 1899.454
420.917 1937.065
421.400 1979.581
421.882 2024.942
422.364 2074.960
422.846 2121.453
423.328 2162.279
423.810 2199.515
424.292 2235.963
424.774 2277.470
425.256 2312.821
425.738 2339.392
426.221 2357.053
426.703 2370.706
427.185 2375.581
427.667 2381.407
428.149 2398.823
428.631 2440.507
429.113 2458.316
429.595 2440.690
430.078 2398.164
430.560 2366.305
431.042 2348.139
431.524 2327.463
432.006 2295.951
432.488 2253.697
432.970 2205.748
433.452 2152.146
433.935 2093.096
434.417 2027.956
434.899 1957.603
435.381 1886.997
435.863 1819.713
436.345 1753.691
436.827 1680.729
437.309 1601.198
437.791 1529.668
438.274 1483.762
438.756 1453.083
439.238 1421.033
439.720 1379.142
440.202 1340.752
440.684 1318.195
441.166 1308.124
441.648 1300.262
442.130 1300.020
442.613 1293.019
443.095 1266.671
443.577 1213.130
444.059 1163.020
444.541 1126.956
445.023 1099.542
445.505 1073.623
445.987 1047.078
446.470 1023.587
446.952 1006.917
447.434 997.439
447.916 980.069
448.398 943.575
448.880 909.173
449.362 891.313
449.844 898.623
450.327 903.759
450.809 902.499
451.291 899.107
451.773 907.076
452.255 931.089
452.737 950.534
453.219 954.264
453.701 942.169
454.183 932.253
454.665 924.003
455.148 919.009
455.630 922.029
456.112 931.531
456.594 936.264
457.076 931.098
457.558 920.440
458.040 909.758
458.522 899.643
459.005 894.643
459.487 905.884
459.969 921.631
460.451 923.277
460.933 901.014
461.415 882.257
461.897 897.377
462.379 929.377
462.862 947.317
463.344 921.865
463.826 892.918
464.308 880.266
464.790 885.833
465.272 896.771
465.754 922.922
466.236 945.849
466.718 950.771
467.201 913.234
467.683 885.160
468.165 872.985
468.647 873.248
469.129 873.120
469.611 868.002
470.093 869.224
470.575 884.484
471.057 918.701
471.540 940.471
472.022 948.629
472.504 946.149
472.986 933.202
473.468 908.592
473.950 889.702
474.432 882.891
474.914 884.275
475.397 882.224
475.879 876.860
476.361 872.658
476.843 875.182
477.325 881.332
477.807 882.662
478.289 875.935
478.771 871.366
479.254 884.318
479.736 907.069
480.218 922.746
480.700 915.540
481.182 904.383
481.664 902.596
482.146 910.374
482.628 919.465
483.110 930.565
483.592 939.073
484.075 941.232
484.557 921.456
485.039 912.853
485.521 925.936
486.003 953.712
486.485 976.150
486.967 989.855
487.449 1002.551
487.931 1016.943
488.414 1033.465
488.896 1040.211
489.378 1033.306
489.860 1063.719
490.342 1085.094
490.824 1097.918
491.306 1076.529
491.789 1099.356
492.271 1104.485
492.753 1108.906
493.235 1128.250
493.717 1152.113
494.199 1184.089
494.681 1219.026
495.163 1245.032
495.645 1260.335
496.128 1271.149
496.610 1274.860
497.092 1279.106
497.574 1297.307
498.056 1342.164
498.538 1396.224
499.020 1453.056
499.502 1511.566
499.984 1563.664
500.467 1600.689
500.949 1635.140
501.431 1674.351
501.913 1721.964
502.395 1769.543
502.877 1815.533
503.359 1861.282
503.841 1907.267
504.323 1946.759
504.806 1996.285
505.288 2059.626
505.770 2135.556
506.252 2218.161
506.734 2307.073
507.216 2402.653
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