#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:59:44 +0300 (Thu, 24 May 2018) $ #$Revision: 850 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000337.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_1000337 loop_ _publ_author_name 'Yakovenchuk, V. N.' 'Keck, E.' 'Krivovichev, S. V.' 'Pakhomovsky, Y. A.' 'Selivanova, E. A.' 'Mikhailova, J. A.' 'Chernyatieva, A. P.' 'Ivanyuk, G. Y.' _publ_section_title ; Whiteite-(CaMnMn), CaMnMn2Al2[PO4]4(OH)2*8H2O, a new mineral from the Hagendorf-Sud granitic pegmatite, Germany ; _journal_name_full 'Mineralogical Magazine' _journal_page_first 2761 _journal_page_last 2771 _journal_paper_doi 10.1180/minmag.2012.076.7.09 _journal_volume 76 _journal_year 2012 _chemical_compound_source 'Hagendorf-Sud granitic pegmatite, Germany' _chemical_formula_sum 'Al1.84 Ca0.93 Fe0.16 H18 Mg0.04 Mn2.96 O26 P4 Zn0.07' _chemical_name_mineral Whiteite-(CaMnMn) _space_group_IT_number 13 _symmetry_space_group_name_Hall '-P 2ya' _symmetry_space_group_name_H-M 'P 1 2/a 1' _cell_angle_alpha 90 _cell_angle_beta 111.740 _cell_angle_gamma 90 _cell_length_a 15.020 _cell_length_b 6.959 _cell_length_c 10.137 _cell_volume 984.199 _exptl_crystal_density_diffrn 2.774 _cod_original_cell_volume 984.200 _cod_original_formula_sum '(Ca.93 Zn.07) Mn2.96 Mg.04 (Al1.84 Fe.16) P4 O26 H18' _cod_database_code 9015830 _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 R130055.rod _rod_data_source.block 3500000 _rod_database.code 1000337 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 9015830 COD http://www.crystallography.net/cod/9015830.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 179.9996 0.0000000E+00 180.4817 0.2205510 180.9638 0.4737400 181.4459 0.4229430 181.9280 0.2620470 182.4102 0.4227070 182.8923 0.7575070 183.3744 0.9814990 183.8565 0.6152340 184.3386 6.2119000E-02 184.8207 0.1347890 185.3029 0.7146530 185.7850 1.846336 186.2671 2.122612 186.7492 1.575813 187.2313 0.9987030 187.7134 0.9199220 188.1956 1.275932 188.6777 1.791710 189.1598 2.493965 189.6419 3.258018 190.1240 3.875496 190.6061 4.358009 191.0883 4.607239 191.5704 4.341522 192.0525 3.643387 192.5346 3.362968 193.0167 3.711937 193.4988 4.470482 193.9810 5.016190 194.4631 5.304352 194.9452 5.452858 195.4273 5.117203 195.9094 4.313606 196.3915 3.717651 196.8737 3.483795 197.3558 3.530777 197.8379 3.601868 198.3200 3.700089 198.8021 3.811531 199.2842 3.848595 199.7664 3.791618 200.2485 4.047188 200.7306 4.882950 201.2127 6.109581 201.6948 6.612068 202.1769 6.278824 202.6591 5.619514 203.1412 5.076164 203.6233 4.650406 204.1054 4.271172 204.5875 3.821671 205.0696 3.359016 205.5518 3.581734 206.0339 4.732216 206.5160 6.007195 206.9981 6.468872 207.4802 5.899986 207.9623 5.543800 208.4445 5.803612 208.9266 6.638893 209.4087 6.991730 209.8908 6.697807 210.3729 6.233536 210.8550 6.178688 211.3372 6.701454 211.8193 7.028236 212.3014 6.899986 212.7835 6.317451 213.2656 5.944756 213.7477 5.848312 214.2299 5.863571 214.7120 5.780212 215.1941 5.528244 215.6762 5.372871 216.1583 5.413177 216.6404 5.662254 217.1226 5.812828 217.6047 5.829536 218.0868 5.789757 218.5689 5.778160 219.0510 5.781357 219.5331 5.846283 220.0153 5.993736 220.4974 6.230629 220.9795 6.500092 221.4616 6.869926 221.9437 7.210564 222.4258 7.355797 222.9080 7.249092 223.3901 7.065025 223.8722 6.812866 224.3543 6.463913 224.8364 6.288879 225.3185 6.359901 225.8007 6.534233 226.2828 6.622955 226.7649 6.547501 227.2470 6.537971 227.7291 6.689377 228.2112 7.043823 228.6934 7.241829 229.1755 7.262344 229.6576 7.145638 230.1397 6.926720 230.6218 6.528831 231.1039 6.165680 231.5861 5.892403 232.0682 5.710251 232.5503 5.600365 233.0324 5.612778 233.5145 5.659409 233.9966 5.623711 234.4788 5.458595 234.9609 5.296631 235.4430 5.146477 235.9251 4.987595 236.4072 4.990662 236.8893 5.202560 237.3715 5.535675 237.8536 5.863388 238.3357 6.391884 238.8178 6.701012 239.2999 6.625412 239.7820 6.099068 240.2642 5.673073 240.7463 5.332527 241.2284 5.100349 241.7105 5.018784 242.1926 5.159798 242.6747 5.316620 243.1569 5.464340 243.6390 5.615578 244.1211 5.642845 244.6032 5.556435 245.0853 5.339279 245.5674 4.906380 246.0496 3.930069 246.5317 3.362755 247.0138 3.597824 247.4959 4.760406 247.9780 5.265579 248.4601 4.812828 248.9423 4.012604 249.4244 3.546631 249.9065 3.610329 250.3886 3.623619 250.8707 3.436073 251.3528 3.037628 251.8350 2.704681 252.3171 2.377472 252.7992 2.182083 253.2813 2.281715 253.7634 2.819893 254.2455 3.342751 254.7277 3.806526 255.2098 4.214264 255.6919 4.349190 256.1740 4.144783 256.6561 3.749458 257.1382 3.258499 257.6204 2.537788 258.1025 2.040718 258.5846 1.905098 259.0667 2.129951 259.5488 2.342850 260.0309 2.501129 260.5131 2.639229 260.9952 2.769447 261.4773 2.926216 261.9594 2.978043 262.4415 2.877037 262.9236 2.667526 263.4058 2.586182 263.8879 2.575317 264.3700 2.655426 264.8521 2.877899 265.3342 3.288101 265.8163 3.701065 266.2985 4.156105 266.7806 4.596489 267.2627 4.626968 267.7448 4.110634 268.2269 3.555809 268.7090 3.315475 269.1912 3.419029 269.6733 3.635429 270.1554 3.999672 270.6375 4.447174 271.1196 4.692238 271.6017 4.658936 272.0839 4.593086 272.5660 4.674332 273.0481 4.958359 273.5302 5.093559 274.0123 4.965233 274.4944 4.696587 274.9766 4.599411 275.4587 4.681717 275.9408 4.904861 276.4229 5.337967 276.9050 6.028999 277.3871 6.424202 277.8693 6.410454 278.3514 6.150116 278.8335 5.982155 279.3156 5.924553 279.7977 5.844070 280.2798 5.630859 280.7620 5.285255 281.2441 5.051079 281.7262 4.962875 282.2083 4.946785 282.6904 4.901695 283.1725 4.831230 283.6547 4.669495 284.1368 4.270180 284.6189 3.677490 285.1010 3.434052 285.5831 3.616226 286.0652 3.964920 286.5474 4.143341 287.0295 4.152641 287.5116 4.040939 287.9937 3.762520 288.4758 3.355202 288.9579 3.057861 289.4401 2.874237 289.9222 2.761681 290.4043 2.669479 290.8864 2.606979 291.3685 2.591583 291.8506 2.703720 292.3328 2.870354 292.8149 2.828667 293.2970 2.562210 293.7791 2.286461 294.2612 2.312813 294.7433 2.547470 295.2255 2.596275 295.7076 2.160362 296.1897 1.553062 296.6718 1.486862 297.1539 1.947929 297.6360 2.431679 298.1182 2.467720 298.6003 2.192200 299.0824 1.955994 299.5645 1.907219 300.0466 1.881973 300.5287 1.536140 301.0109 0.9294280 301.4930 0.4770660 301.9751 0.6757970 302.4572 1.199387 302.9393 1.468040 303.4214 1.270653 303.9036 0.9494930 304.3857 0.8785710 304.8678 1.002892 305.3499 1.119057 305.8320 1.114326 306.3141 1.027611 306.7963 0.8816600 307.2784 0.6434780 307.7605 0.4508360 308.2426 0.4443210 308.7247 0.5727540 309.2068 0.7139280 309.6890 0.8616870 310.1711 0.9606170 310.6532 0.9198460 311.1353 0.6922000 311.6174 0.5193710 312.0995 0.6798170 312.5817 0.9799960 313.0638 1.110367 313.5459 0.7431340 314.0280 0.3183520 314.5101 0.1505660 314.9922 0.2805180 315.4744 0.3445050 315.9565 3.7659001E-02 316.4386 0.5086590 316.9207 0.6585310 317.4028 8.7433003E-02 317.8849 0.7698440 318.3671 1.002167 318.8492 0.7959210 319.3313 0.4404530 319.8134 0.2999500 320.2955 0.9752960 320.7776 1.221893 321.2598 0.4343340 321.7419 0.2244420 322.2240 0.4193270 322.7061 0.2289960 323.1882 7.5828999E-02 323.6703 0.1699750 324.1525 0.2337570 324.6346 0.1016160 325.1167 0.5425950 325.5988 0.9916310 326.0809 1.089508 326.5630 0.9330600 327.0452 0.7972640 327.5273 0.8036040 328.0094 0.7384190 328.4915 0.4883040 328.9736 0.1495590 329.4557 0.4921650 329.9379 0.3189160 330.4200 7.2959997E-02 330.9021 0.2019270 331.3842 0.1298450 331.8663 0.4654080 332.3484 0.7122340 332.8306 0.8787610 333.3127 0.8741990 333.7948 0.5271840 334.2769 0.1387630 334.7590 8.7012999E-02 335.2411 0.5662460 335.7233 0.9640810 336.2054 1.135437 336.6875 1.082565 337.1696 0.9996950 337.6517 0.8285370 338.1339 0.7690810 338.6160 1.070358 339.0981 1.860222 339.5802 2.407463 340.0623 2.541222 340.5444 2.333809 341.0266 2.135612 341.5087 1.951630 341.9908 1.795647 342.4729 1.648140 342.9550 1.511063 343.4371 1.519051 343.9193 1.710869 344.4014 1.971687 344.8835 2.110985 345.3656 2.129845 345.8477 2.133873 346.3298 2.286057 346.8120 2.494583 347.2941 2.196480 347.7762 1.267021 348.2583 0.4375690 348.7404 0.8560710 349.2225 2.224373 349.7047 3.263329 350.1868 3.266296 350.6689 2.730263 351.1510 2.540115 351.6331 2.690140 352.1152 2.855370 352.5974 2.627930 353.0795 2.239899 353.5616 2.163185 354.0437 2.765327 354.5258 3.421860 355.0079 3.371971 355.4901 2.765305 355.9722 2.273827 356.4543 2.499687 356.9364 2.962624 357.4185 3.145760 357.9006 2.867073 358.3828 2.546410 358.8649 2.489601 359.3470 2.579094 359.8291 2.576111 360.3112 2.165909 360.7933 1.789757 361.2755 1.773628 361.7576 2.207054 362.2397 2.550064 362.7218 2.488838 363.2039 2.266762 363.6860 2.155594 364.1682 2.430969 364.6503 2.627632 365.1324 2.541306 365.6145 2.183327 366.0966 1.899529 366.5787 1.761612 367.0609 1.706627 367.5430 1.694359 368.0251 1.783096 368.5072 1.842621 368.9893 1.874451 369.4714 1.872963 369.9536 1.806938 370.4357 1.518906 370.9178 1.334541 371.3999 1.429214 371.8820 2.032051 372.3641 2.304619 372.8463 2.067650 373.3284 1.615532 373.8105 1.436790 374.2926 1.706696 374.7747 1.797226 375.2568 1.463264 375.7390 0.6628040 376.2211 0.2911760 376.7032 0.4522320 377.1853 0.8163530 377.6674 1.088524 378.1495 1.252167 378.6317 1.306038 379.1138 1.300949 379.5959 1.224594 380.0780 1.029045 380.5601 0.7022710 381.0422 0.4037320 381.5244 0.2358860 382.0065 0.1906740 382.4886 0.2653660 382.9707 0.4642560 383.4528 0.6627730 383.9349 0.6893390 384.4171 0.5805440 384.8992 0.4537050 385.3813 0.3030930 385.8634 0.1845630 386.3455 0.2492140 386.8276 0.5269320 387.3098 0.7592470 387.7919 0.7099990 388.2740 0.4688110 388.7561 0.2235950 389.2382 5.7868998E-02 389.7203 8.1969999E-02 390.2025 0.2615280 390.6846 0.4599990 391.1667 0.5785520 391.6488 0.4959950 392.1309 0.3513260 392.6130 0.2623520 393.0952 0.2882160 393.5773 0.2635800 394.0594 2.9877000E-02 394.5415 0.2979350 395.0236 0.5059970 395.5057 0.4876790 395.9879 0.3759690 396.4700 0.1502840 396.9521 0.2428050 397.4342 0.3920210 397.9163 9.7350003E-03 398.3984 0.5673370 398.8806 0.9200360 399.3627 0.9339070 399.8448 0.8626710 400.3269 0.6096800 400.8090 0.2348100 401.2911 0.2245030 401.7733 0.9466090 402.2554 1.598015 402.7375 1.710861 403.2196 0.9575580 403.7017 0.4951930 404.1838 0.4163890 404.6660 0.5768510 405.1481 0.7239910 405.6302 0.8654560 406.1123 0.9546050 406.5944 0.8900680 407.0765 0.6936950 407.5587 1.080147 408.0408 2.202362 408.5229 3.330528 409.0050 3.581573 409.4871 3.019684 409.9692 2.618134 410.4514 2.618233 410.9335 2.862099 411.4156 3.044693 411.8977 3.169983 412.3798 3.311455 412.8619 3.608574 413.3441 3.937614 413.8262 4.001091 414.3083 3.712151 414.7904 3.429695 415.2725 3.533463 415.7546 3.901779 416.2368 4.285751 416.7189 4.695038 417.2010 4.985718 417.6831 4.954758 418.1652 4.624283 418.6473 4.371483 419.1295 4.421463 419.6116 4.632393 420.0937 4.881439 420.5758 5.164871 421.0579 5.448349 421.5400 5.808052 422.0222 6.165970 422.5043 6.340614 422.9864 5.977531 423.4685 5.695259 423.9506 5.795784 424.4327 6.485283 424.9149 6.914154 425.3970 6.855583 425.8791 6.633926 426.3612 6.558693 426.8433 6.617050 427.3254 6.857254 427.8076 7.396248 428.2897 8.161911 428.7718 8.571907 429.2539 8.465111 429.7360 8.316139 430.2181 8.502121 430.7003 9.140358 431.1824 9.255798 431.6645 8.653427 432.1466 7.780998 432.6287 7.445656 433.1108 7.660721 433.5930 7.855835 434.0751 7.810814 434.5572 7.600746 435.0393 7.392509 435.5214 7.181862 436.0035 6.994781 436.4857 6.867859 436.9678 6.784843 437.4499 6.713081 437.9320 6.665413 438.4141 6.578163 438.8962 6.379601 439.3784 6.085159 439.8605 5.741043 440.3426 5.165741 440.8247 4.692131 441.3068 4.679443 441.7889 5.192169 442.2711 5.654472 442.7532 5.810364 443.2353 5.750679 443.7174 5.570923 444.1995 5.198166 444.6816 4.826088 445.1638 4.452477 445.6459 4.101257 446.1280 3.875046 446.6101 3.885201 447.0922 3.940742 447.5743 3.972717 448.0565 4.015503 448.5386 3.925766 449.0207 3.614227 449.5028 3.247330 449.9849 3.018478 450.4670 2.910446 450.9492 2.972710 451.4313 3.297989 451.9134 3.841721 452.3955 4.173096 452.8776 4.269493 453.3597 4.176689 453.8419 3.788879 454.3240 3.120445 454.8061 2.828285 455.2882 3.069672 455.7703 3.518234 456.2524 3.624641 456.7346 3.414001 457.2167 3.110382 457.6988 2.626778 458.1809 2.185616 458.6630 2.250023 459.1451 2.797699 459.6273 3.417717 460.1094 3.855057 460.5915 4.145798 461.0736 4.326950 461.5557 4.420410 462.0378 4.462212 462.5200 4.421402 463.0021 4.360847 463.4842 4.403397 463.9663 4.804955 464.4484 5.147011 464.9305 5.157539 465.4127 4.801025 465.8948 4.565086 466.3769 4.581985 466.8590 4.741638 467.3411 4.966522 467.8232 5.396698 468.3054 5.710777 468.7875 5.833046 469.2696 5.838669 469.7517 5.925491 470.2338 6.134872 470.7159 6.365646 471.1981 6.600433 471.6802 6.812180 472.1623 6.851151 472.6444 6.677925 473.1265 6.438591 473.6086 6.244164 474.0908 6.095505 474.5729 6.060997 475.0550 6.156555 475.5371 6.365044 476.0192 6.756760 476.5013 7.292557 476.9835 7.660233 477.4656 7.480881 477.9477 7.090248 478.4298 7.204613 478.9119 7.869377 479.3940 8.409019 479.8762 8.122345 480.3583 7.443336 480.8404 6.941597 481.3225 6.794548 481.8046 6.838966 482.2867 7.069550 482.7689 7.434189 483.2510 7.798271 483.7331 8.425392 484.2152 8.783195 484.6973 8.518951 485.1794 7.441628 485.6616 6.625504 486.1437 6.240776 486.6258 6.107208 487.1079 6.094704 487.5900 6.227699 488.0721 6.455772 488.5543 6.871819 489.0364 7.347115 489.5185 7.444748 490.0006 7.020760 490.4827 6.671524 490.9648 6.777252 491.4470 7.296265 491.9291 7.250465 492.4112 6.536217 492.8933 5.756012 493.3754 5.603981 493.8575 5.941338 494.3397 6.159920 494.8218 6.112572 495.3039 5.917915 495.7860 5.654091 496.2681 5.361160 496.7502 5.174286 497.2324 5.285393 497.7145 5.459709 498.1966 5.447403 498.6787 5.234497 499.1608 5.055725 499.6429 5.113838 500.1251 5.218124 500.6072 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