#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:35:36 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1173 $ #$URL: svn://172.16.1.111/rod/cif/1/00/05/1000592.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_1000592 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 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 R060658.rod _rod_data_source.block 3500000 _rod_database.code 1000592 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 90.59570 0.0000000E+00 91.07782 5.658936 91.55994 19.96875 92.04205 44.54163 92.52417 72.28772 93.00629 101.0353 93.48840 121.4308 93.97052 124.0201 94.45264 106.9979 94.93475 90.07935 95.41687 74.38843 95.89898 60.61157 96.38110 49.12927 96.86321 40.37952 97.34533 34.35425 97.82745 24.73669 98.30956 16.49829 98.79168 12.31592 99.27380 9.387695 99.75591 7.043945 100.2380 5.723389 100.7201 5.107422 101.2023 4.805054 101.6844 4.031494 102.1665 2.969604 102.6486 0.8350830 103.1307 1.318237 103.6128 2.723999 104.0950 3.248413 104.5771 2.199341 105.0592 1.979980 105.5413 7.613647 106.0234 11.97192 106.5055 12.48718 106.9877 10.36749 107.4698 11.18884 107.9519 18.84833 108.4340 25.66699 108.9161 29.38495 109.3982 28.74634 109.8804 25.23883 110.3625 19.95111 110.8446 12.18549 111.3267 7.325562 111.8088 6.728638 112.2909 8.036255 112.7731 10.62958 113.2552 13.51178 113.7373 16.67365 114.2194 19.93225 114.7015 21.79291 115.1836 22.68011 115.6658 24.06604 116.1479 25.32965 116.6300 25.43304 117.1121 23.99097 117.5942 21.67542 118.0763 20.03931 118.5584 19.28290 119.0406 18.37488 119.5227 16.87769 120.0048 15.06805 120.4869 13.48645 120.9690 12.29114 121.4511 11.46729 121.9333 10.86340 122.4154 10.49359 122.8975 10.29846 123.3796 10.55371 123.8617 11.46716 124.3438 11.85095 124.8260 10.95178 125.3081 9.268860 125.7902 6.908936 126.2723 3.571716 126.7544 2.8870000E-02 127.2365 1.789673 127.7187 0.9138180 128.2008 0.1708370 128.6829 0.7386470 129.1650 0.9979860 129.6471 1.294922 130.1292 1.918701 130.6114 2.801453 131.0935 2.910828 131.5756 1.466125 132.0577 5.3589001E-02 132.5398 1.346985 133.0219 2.416870 133.5041 3.387207 133.9862 4.406006 134.4683 5.552429 134.9504 6.167664 135.4325 5.774963 135.9146 5.347290 136.3968 5.669189 136.8789 6.722839 137.3610 7.664673 137.8431 7.495789 138.3252 6.000671 138.8073 4.197510 139.2895 1.819580 139.7716 0.7670290 140.2537 3.193237 140.7358 5.428650 141.2179 7.228882 141.7000 8.192749 142.1821 8.425964 142.6643 8.329407 143.1464 7.750305 143.6285 6.877319 144.1106 6.396851 144.5927 6.446350 145.0748 7.030640 145.5570 8.054810 146.0391 9.518005 146.5212 11.29034 147.0033 13.36084 147.4854 15.76813 147.9675 18.17596 148.4497 23.77362 148.9318 29.01038 149.4139 33.12354 149.8960 36.01642 150.3781 38.60248 150.8602 42.28271 151.3424 47.56610 151.8245 52.91895 152.3066 58.17859 152.7887 63.42584 153.2708 68.79865 153.7529 74.32971 154.2351 79.88159 154.7172 85.07446 155.1993 88.76306 155.6814 93.52216 156.1635 100.3886 156.6456 108.1068 157.1278 115.1523 157.6099 120.7608 158.0920 125.2260 158.5741 129.7334 159.0562 134.6804 159.5383 139.2057 160.0205 142.7377 160.5026 145.6411 160.9847 148.7761 161.4668 152.6790 161.9489 157.1946 162.4310 161.3793 162.9131 165.1229 163.3953 168.7368 163.8774 172.4109 164.3595 176.1107 164.8416 179.7238 165.3237 183.1924 165.8058 186.6156 166.2880 190.1190 166.7701 193.8825 167.2522 197.5590 167.7343 200.5609 168.2164 202.6719 168.6985 205.0456 169.1807 208.5353 169.6628 212.6960 170.1449 217.1017 170.6270 221.6315 171.1091 226.2880 171.5912 231.1509 172.0734 236.5549 172.5555 241.4946 173.0376 245.3875 173.5197 248.7401 174.0018 252.4371 174.4839 257.3705 174.9661 263.0033 175.4482 265.9919 175.9303 264.5204 176.4124 262.1533 176.8945 259.8178 177.3766 257.3110 177.8588 254.3289 178.3409 250.8165 178.8230 246.7793 179.3051 240.1388 179.7872 228.9297 180.2693 217.0782 180.7515 205.4913 181.2336 194.2072 181.7157 183.0036 182.1978 171.5838 182.6799 159.8097 183.1620 149.1677 183.6441 139.7740 184.1263 131.0252 184.6084 122.7629 185.0905 114.9436 185.5726 107.5087 186.0547 100.2893 186.5368 93.25635 187.0190 86.72217 187.5011 80.69141 187.9832 75.19250 188.4653 70.38416 188.9474 66.25482 189.4296 62.30646 189.9117 57.92426 190.3938 53.17694 190.8759 49.24841 191.3580 46.74554 191.8401 44.93372 192.3223 43.08447 192.8044 41.18127 193.2865 39.15906 193.7686 36.71484 194.2507 33.94879 194.7328 31.29669 195.2150 28.76221 195.6971 26.52966 196.1792 24.92877 196.6613 24.07733 197.1434 23.76941 197.6255 23.99762 198.1077 24.51788 198.5898 24.93921 199.0719 25.06409 199.5540 24.91809 200.0361 24.54938 200.5182 23.52911 201.0004 22.89453 201.4825 23.29102 201.9646 24.47620 202.4467 25.84076 202.9288 26.98950 203.4109 27.94116 203.8930 28.90314 204.3752 29.57373 204.8573 30.60370 205.3394 32.41180 205.8215 34.79694 206.3036 37.27161 206.7857 39.37347 207.2679 41.06458 207.7500 43.00287 208.2321 45.18298 208.7142 47.63904 209.1963 50.53442 209.6784 53.75189 210.1606 56.98010 210.6427 59.86609 211.1248 62.26257 211.6069 65.50739 212.0890 70.49231 212.5711 75.40448 213.0533 79.49054 213.5354 82.82837 214.0175 85.91992 214.4996 89.19556 214.9817 92.65259 215.4638 96.39227 215.9460 100.7358 216.4281 105.0216 216.9102 108.8910 217.3923 112.3694 217.8744 115.7824 218.3565 119.4211 218.8387 123.3260 219.3208 127.0358 219.8029 130.3427 220.2850 133.6703 220.7671 137.2666 221.2492 141.1344 221.7314 145.1686 222.2135 149.3659 222.6956 153.7273 223.1777 157.6862 223.6598 160.9010 224.1419 163.9637 224.6240 167.4825 225.1062 171.4580 225.5883 175.1022 226.0704 177.6378 226.5525 179.1631 227.0346 180.8747 227.5167 183.0109 227.9989 185.2651 228.4810 187.3154 228.9631 189.1383 229.4452 190.9869 229.9273 193.3113 230.4094 195.7794 230.8916 197.4818 231.3737 197.9830 231.8558 197.8087 232.3379 197.5762 232.8200 197.3219 233.3021 196.9532 233.7843 196.4548 234.2664 195.7200 234.7485 194.5230 235.2306 192.6393 235.7127 190.2773 236.1948 187.8566 236.6770 185.5286 237.1591 182.7413 237.6412 178.8400 238.1233 174.3683 238.6054 169.8210 239.0875 165.3232 239.5697 160.7519 240.0518 155.8686 240.5339 150.4578 241.0160 145.4337 241.4981 141.4844 241.9802 137.8467 242.4624 133.9271 242.9445 129.6324 243.4266 124.9931 243.9087 119.8003 244.3908 113.5678 244.8729 107.9452 245.3550 103.9856 245.8372 100.6009 246.3193 96.80200 246.8014 92.22455 247.2835 87.24573 247.7656 82.43060 248.2477 77.97229 248.7299 73.48700 249.2120 68.54608 249.6941 63.78790 250.1762 59.83502 250.6583 56.85132 251.1404 54.34192 251.6226 51.40002 252.1047 47.68457 252.5868 44.36456 253.0689 41.59491 253.5510 39.15601 254.0331 36.85101 254.5153 34.65234 254.9974 32.69849 255.4795 31.28821 255.9616 30.96124 256.4437 30.00366 256.9258 27.69574 257.4080 25.36127 257.8901 24.09216 258.3722 23.96674 258.8543 24.02008 259.3364 22.85907 259.8185 19.69818 260.3007 17.31824 260.7828 15.53735 261.2649 14.45593 261.7470 14.57910 262.2291 15.70251 262.7112 16.79669 263.1934 16.61719 263.6755 14.67914 264.1576 13.19684 264.6397 12.25201 265.1218 11.59052 265.6039 11.18585 266.0861 10.97375 266.5682 10.78748 267.0503 10.43231 267.5324 9.817383 268.0145 9.612122 268.4966 10.11328 268.9788 10.66327 269.4609 10.96997 269.9430 11.03442 270.4251 10.97321 270.9072 10.85535 271.3893 10.67535 271.8715 10.68878 272.3536 11.04694 272.8357 11.40491 273.3178 11.57098 273.7999 11.60760 274.2820 11.70007 274.7642 11.96875 275.2463 12.40631 275.7284 12.93903 276.2105 14.04779 276.6926 14.72290 277.1747 14.21289 277.6568 13.00092 278.1389 12.23456 278.6211 12.61566 279.1032 13.79834 279.5853 14.27374 280.0674 13.36658 280.5495 12.69739 281.0316 13.04016 281.5138 13.85150 281.9959 14.10028 282.4780 13.29242 282.9601 11.84918 283.4422 10.89423 283.9243 10.82568 284.4065 10.42139 284.8886 9.167542 285.3707 7.499634 285.8528 6.017334 286.3349 4.905212 286.8170 4.093628 287.2992 3.546692 287.7813 3.433716 288.2634 3.008484 288.7455 2.067810 289.2276 0.7897340 289.7097 0.7288210 290.1919 2.484192 290.6740 4.154724 291.1561 5.402802 291.6382 6.220459 292.1203 6.529907 292.6024 5.722626 293.0846 4.739319 293.5667 4.579529 294.0488 5.362610 294.5309 6.410889 295.0130 7.206512 295.4951 7.715149 295.9773 7.871033 296.4594 7.377319 296.9415 6.744537 297.4236 6.450287 297.9057 6.475464 298.3878 6.321381 298.8700 5.486694 299.3521 4.163452 299.8342 3.519958 300.3163 4.409882 300.7984 5.197296 301.2805 4.673584 301.7627 3.114014 302.2448 1.830750 302.7269 1.589661 303.2090 2.034119 303.6911 2.076721 304.1732 1.762268 304.6554 1.043274 305.1375 0.4446410 305.6196 2.383057 306.1017 3.911133 306.5838 4.647034 307.0659 4.935181 307.5481 5.379883 308.0302 5.951538 308.5123 6.708374 308.9944 7.802979 309.4765 9.068237 309.9586 10.13837 310.4408 10.86200 310.9229 11.61316 311.4050 13.02625 311.8871 15.13495 312.3692 16.92218 312.8513 17.87134 313.3335 18.53040 313.8156 19.56921 314.2977 21.08228 314.7798 22.77960 315.2619 24.49707 315.7440 26.21893 316.2262 27.70605 316.7083 28.78064 317.1904 29.71851 317.6725 30.60663 318.1546 31.49023 318.6367 32.73657 319.1188 34.87244 319.6010 37.53973 320.0831 39.15240 320.5652 38.61694 321.0473 38.15070 321.5294 39.43298 322.0115 41.91473 322.4937 43.53522 322.9758 43.06519 323.4579 41.46283 323.9400 41.24725 324.4221 43.01831 324.9042 44.60248 325.3864 45.22992 325.8685 45.15674 326.3506 44.85205 326.8327 44.45282 327.3148 43.89056 327.7969 42.99567 328.2791 41.72876 328.7612 40.46649 329.2433 39.28522 329.7254 38.14575 330.2075 36.91510 330.6896 35.56952 331.1718 34.46710 331.6539 34.21234 332.1360 34.88177 332.6181 34.38483 333.1002 31.55823 333.5823 28.38300 334.0645 26.08044 334.5466 24.74585 335.0287 24.28760 335.5108 24.94067 335.9929 26.42871 336.4750 26.75616 336.9572 24.76038 337.4393 22.96808 337.9214 22.64923 338.4035 23.34528 338.8856 23.90033 339.3677 23.72644 339.8499 23.20105 340.3320 23.38879 340.8141 24.53754 341.2962 25.80286 341.7783 26.84796 342.2604 27.99036 342.7426 29.79071 343.2247 32.40277 343.7068 35.19928 344.1889 37.25281 344.6710 38.12415 345.1531 39.55054 345.6353 41.76105 346.1174 44.37018 346.5995 47.21265 347.0816 50.19299 347.5637 53.09369 348.0458 55.72754 348.5280 58.09998 349.0101 60.29236 349.4922 62.28094 349.9743 64.22107 350.4564 66.43262 350.9385 68.70593 351.4207 70.41217 351.9028 71.07098 352.3849 70.98914 352.8670 71.59528 353.3491 73.94720 353.8312 75.73456 354.3134 76.48700 354.7955 76.66968 355.2776 76.89240 355.7597 77.33704 356.2418 77.58301 356.7239 76.86737 357.2061 74.26660 357.6882 72.63611 358.1703 72.58362 358.6524 72.79785 359.1345 72.56195 359.6166 71.81738 360.0987 70.77045 360.5808 69.55182 361.0630 68.10736 361.5451 66.57819 362.0272 64.68872 362.5093 63.06732 362.9914 62.16241 363.4735 61.62952 363.9557 60.91223 364.4378 59.64630 364.9199 58.01410 365.4020 56.79645 365.8841 56.19586 366.3662 55.78119 366.8484 55.61670 367.3305 55.54852 367.8126 55.47113 368.2947 55.34106 368.7768 55.10779 369.2589 54.53400 369.7411 53.12598 370.2232 52.77893 370.7053 54.47791 371.1874 56.40332 371.6695 57.45325 372.1516 57.74011 372.6338 58.23248 373.1159 59.93121 373.5980 62.77893 374.0801 64.95551 374.5622 65.84644 375.0443 66.78937 375.5265 68.36755 376.0086 70.25525 376.4907 71.92621 376.9728 73.12543 377.4549 73.98804 377.9370 74.72235 378.4192 75.13702 378.9013 75.97870 379.3834 77.84888 379.8655 79.98236 380.3476 81.81250 380.8297 83.22754 381.3119 84.46393 381.7940 85.75775 382.2761 87.10931 382.7582 88.30414 383.2403 89.14417 383.7224 90.03235 384.2046 91.48651 384.6867 93.27527 385.1688 94.59760 385.6509 94.74158 386.1330 94.15656 386.6151 93.84729 387.0973 93.85864 387.5794 93.98291 388.0615 94.29785 388.5436 94.59229 389.0257 94.54083 389.5078 94.02649 389.9900 93.24591 390.4721 92.26416 390.9542 91.11713 391.4363 90.18488 391.9184 89.67548 392.4005 89.27277 392.8827 88.49005 393.3648 87.28375 393.8469 86.22845 394.3290 85.92114 394.8111 85.79993 395.2932 84.93005 395.7754 83.11444 396.2575 80.87213 396.7396 78.42090 397.2217 75.88904 397.7038 74.10083 398.1859 73.94299 398.6681 73.78955 399.1501 72.53235 399.6323 70.33942 400.1144 67.83148 400.5965 65.19751 401.0786 62.60919 401.5607 60.72357 402.0428 60.08356 402.5250 59.12054 403.0071 57.22650 403.4892 55.02765 403.9713 53.28961 404.4534 52.17706 404.9355 51.25366 405.4177 49.98932 405.8998 48.26703 406.3819 46.85333 406.8640 45.81329 407.3461 44.98370 407.8282 44.31097 408.3104 43.77979 408.7925 43.38385 409.2746 43.11859 409.7567 42.97028 410.2388 42.85474 410.7209 42.44904 411.2031 42.53491 411.6852 43.72577 412.1673 45.12701 412.6494 45.65839 413.1315 45.14099 413.6136 44.56757 414.0958 45.42896 414.5779 48.27368 415.0600 50.36017 415.5421 50.53564 416.0242 51.00775 416.5063 52.84174 416.9885 55.69238 417.4706 58.54987 417.9527 60.72485 418.4348 62.49634 418.9169 64.89771 419.3990 68.17865 419.8812 71.52588 420.3633 74.58386 420.8454 77.62683 421.3275 80.92090 421.8096 84.52856 422.2917 88.23755 422.7739 91.97083 423.2560 95.69733 423.7381 98.88336 424.2202 101.0054 424.7023 103.1701 425.1844 106.4146 425.6666 110.4491 426.1487 114.2471 426.6308 117.2725 427.1129 119.8666 427.5950 122.5846 428.0771 125.4710 428.5593 128.0349 429.0414 130.1108 429.5235 131.5919 430.0056 132.4178 430.4877 132.4651 430.9698 132.1504 431.4520 131.8832 431.9341 131.3770 432.4162 130.0159 432.8983 127.6376 433.3804 124.5373 433.8625 121.0095 434.3447 117.0251 434.8268 112.5928 435.3089 107.6256 435.7910 102.2802 436.2731 96.48340 436.7552 90.38150 437.2374 84.40366 437.7195 78.82547 438.2016 73.51605 438.6837 68.07877 439.1658 62.07852 439.6479 56.49725 440.1301 51.72189 440.6122 47.23367 441.0943 42.49335 441.5764 37.45874 442.0585 32.54840 442.5406 28.32669 443.0227 24.90253 443.5049 21.30627 443.9870 16.99103 444.4691 13.08929 444.9512 9.988617 445.4333 7.561707 445.9154 5.542542 446.3976 3.831268 446.8797 2.408264 447.3618 1.341217 447.8439 0.8891600 448.3260 1.4648000E-02 448.8081 2.206909 449.2903 4.386932 449.7724 5.553284 450.2545 5.709381 450.7366 5.647186 451.2187 5.977570 451.7008 6.594360 452.1830 7.074799 452.6651 7.496735 453.1472 7.561798 453.6293 6.688599 454.1114 5.442535 454.5935 4.651001 455.0757 4.618256 455.5578 4.822205 456.0399 4.951965 456.5220 4.981689 457.0041 4.811523 457.4862 4.416443 457.9684 3.800751 458.4505 2.836700 458.9326 1.519073 459.4147 0.4387820 459.8968 2.1942001E-02 460.3789 0.4058840 460.8611 1.307465 461.3432 2.644470 461.8253 3.786377 462.3074 4.300629 462.7895 4.377472 463.2716 4.807678 463.7538 5.920593 464.2359 6.931946 464.7180 7.699554 465.2001 8.355713 465.6822 8.982422 466.1643 9.620667 466.6465 10.36557 467.1286 11.36627 467.6107 12.68796 468.0928 13.64404 468.5749 13.86441 469.0570 14.10065 469.5392 14.75021 470.0213 15.48367 470.5034 15.73685 470.9855 15.24484 471.4676 14.43399 471.9497 14.01907 472.4319 14.02930 472.9140 14.32117 473.3961 15.19046 473.8782 16.08356 474.3603 16.65005 474.8424 16.94543 475.3246 17.26987 475.8067 17.96051 476.2888 18.74615 476.7709 18.90704 477.2530 18.32236 477.7351 17.91809 478.2173 18.42880 478.6994 19.20221 479.1815 19.08163 479.6636 17.68436 480.1457 16.63748 480.6278 17.20294 481.1100 18.55505 481.5920 19.04630 482.0742 18.35287 482.5563 17.61658 483.0384 17.95969 483.5205 19.35431 484.0026 20.06232 484.4847 19.77023 484.9669 19.17892 485.4490 18.32217 485.9311 17.40613 486.4132 16.74002 486.8953 16.43561 487.3774 16.46216 487.8596 16.82935 488.3417 17.82858 488.8238 18.34915 489.3059 17.90408 489.7880 17.53049 490.2701 17.72000 490.7523 18.39398 491.2344 19.35422 491.7165 20.55698 492.1986 21.75357 492.6807 22.13358 493.1628 21.27264 493.6450 20.77524 494.1271 21.12756 494.6092 21.85825 495.0913 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