#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:53:25 +0300 (Thu, 07 Jun 2018) $ #$Revision: 992 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000449.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_1000449 loop_ _publ_author_name 'Giuseppetti, G.' 'Tadini, C.' _publ_section_title ; The crystal structure of childrenite from Tavistock (SW England), Ch89Eo11 term of childrenite-eosphorite series Note: this is the prefered model Locality: Tavistock, SW England ; _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_page_first 263 _journal_page_last 271 _journal_volume 1984 _journal_year 1984 _chemical_compound_source R060146 _chemical_formula_sum 'Al Fe0.89 H4 Mn0.11 O7 P' _chemical_name_mineral Childrenite _space_group_IT_number 41 _symmetry_space_group_name_Hall 'B 2 -2ab' _symmetry_space_group_name_H-M 'B b a 2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 10.395 _cell_length_b 13.394 _cell_length_c 6.918 _cell_volume 963.197 _exptl_crystal_density_diffrn 3.168 _cod_original_cell_volume 963.198 _cod_original_formula_sum '(Fe.89 Mn.11) Al P O7 H4' _cod_database_code 9009311 _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 R060146.rod _rod_data_source.block 3500000 _rod_database.code 1000449 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 9009311 COD http://www.crystallography.net/cod/9009311.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 149.5641 0.0000000E+00 150.0462 5.3480002E-03 150.5283 1.331940 151.0105 2.593910 151.4926 2.192960 151.9747 2.441059 152.4568 2.554663 152.9389 2.540999 153.4210 2.018885 153.9032 2.153317 154.3853 2.024643 154.8674 1.790016 155.3495 1.434273 155.8316 0.9771960 156.3138 0.6282350 156.7959 0.2793500 157.2780 0.1040950 157.7601 0.2180100 158.2422 0.3859330 158.7243 0.9847410 159.2065 1.211723 159.6886 0.7897110 160.1707 0.3853610 160.6528 0.2131580 161.1349 0.2027210 161.6170 0.1717680 162.0992 9.0100002E-03 162.5813 0.1699980 163.0634 0.2983020 163.5455 0.4188610 164.0276 0.4126280 164.5097 0.1345290 164.9919 0.3444210 165.4740 0.7504040 165.9561 0.8181530 166.4382 0.8121110 166.9203 0.9769740 167.4025 1.479866 167.8846 2.070129 168.3667 2.609184 168.8488 3.105217 169.3309 3.609131 169.8130 4.132462 170.2952 4.688538 170.7773 5.280136 171.2594 5.770309 171.7415 6.402855 172.2236 7.544151 172.7057 9.154503 173.1879 10.65540 173.6700 11.64319 174.1521 12.22865 174.6342 12.60802 175.1163 12.83492 175.5984 12.90936 176.0806 12.73012 176.5627 12.29259 177.0448 11.93153 177.5269 12.07607 178.0090 12.53424 178.4911 12.85458 178.9733 12.75443 179.4554 12.42465 179.9375 12.11806 180.4196 11.83250 180.9017 11.65484 181.3839 11.75167 181.8660 12.05738 182.3481 12.33960 182.8302 12.43235 183.3123 12.43318 183.7944 12.52396 184.2766 12.69532 184.7587 13.04236 185.2408 13.83569 185.7229 14.98661 186.2050 16.00892 186.6871 16.56004 187.1693 16.77219 187.6514 17.07568 188.1335 17.48667 188.6156 18.00286 189.0977 18.63495 189.5798 19.37807 190.0620 20.21371 190.5441 21.19528 191.0262 22.29242 191.5083 23.25626 191.9904 24.02597 192.4725 24.80191 192.9547 26.06947 193.4368 27.86147 193.9189 29.46027 194.4010 30.31061 194.8831 30.47614 195.3652 30.99728 195.8474 32.03963 196.3295 33.31206 196.8116 34.18893 197.2937 34.62411 197.7758 35.07713 198.2579 35.76640 198.7401 36.69092 199.2222 37.91023 199.7043 39.54087 200.1864 41.31673 200.6685 42.61164 201.1507 43.35567 201.6328 43.90695 202.1149 44.39560 202.5970 44.79288 203.0791 45.45411 203.5612 46.51067 204.0434 47.76343 204.5255 48.62151 205.0076 48.99817 205.4897 49.28522 205.9718 49.77353 206.4539 50.53891 206.9361 51.05302 207.4182 51.16864 207.9003 51.02565 208.3824 50.82317 208.8645 50.55615 209.3466 50.24046 209.8288 49.89452 210.3109 49.53473 210.7930 49.07687 211.2751 48.51987 211.7572 47.85938 212.2393 47.02780 212.7215 45.96436 213.2036 44.89095 213.6857 43.95407 214.1678 43.16180 214.6499 42.39171 215.1321 41.58527 215.6142 40.79819 216.0963 40.32045 216.5784 40.31427 217.0605 40.27208 217.5426 39.83978 218.0248 38.88280 218.5069 37.94535 218.9890 37.03867 219.4711 36.19503 219.9532 35.51565 220.4353 34.98380 220.9175 34.51124 221.3996 34.12473 221.8817 33.85426 222.3638 33.62944 222.8459 33.45296 223.3280 33.31285 223.8102 33.16642 224.2923 33.00137 224.7744 32.84300 225.2565 32.66640 225.7386 32.32620 226.2208 32.31927 226.7029 32.73711 227.1850 33.52917 227.6671 34.45087 228.1492 35.62130 228.6313 36.75168 229.1135 37.65292 229.5956 38.24028 230.0777 38.79730 230.5598 39.29556 231.0419 39.77652 231.5240 40.45968 232.0062 41.42163 232.4883 42.48468 232.9704 43.56767 233.4525 44.74754 233.9346 45.77084 234.4167 46.55466 234.8989 47.15597 235.3810 47.82457 235.8631 48.52463 236.3452 49.34808 236.8273 50.41241 237.3095 52.00741 237.7916 53.17465 238.2737 53.62335 238.7558 53.59130 239.2379 54.14174 239.7200 55.68246 240.2022 57.25194 240.6843 58.27261 241.1664 58.24592 241.6485 58.79749 242.1306 60.28594 242.6127 62.40945 243.0949 63.94290 243.5770 64.59978 244.0591 65.07589 244.5412 65.69895 245.0233 66.47653 245.5054 67.41663 245.9876 68.64306 246.4697 70.01531 246.9518 71.13097 247.4339 71.98206 247.9160 72.59273 248.3981 72.93173 248.8803 72.84691 249.3624 72.88348 249.8445 73.22980 250.3266 73.65350 250.8087 73.50266 251.2909 72.61878 251.7730 71.40977 252.2551 70.06059 252.7372 68.57707 253.2193 66.90648 253.7014 65.06113 254.1836 63.03700 254.6657 60.84473 255.1478 58.48484 255.6299 55.94748 256.1120 53.14335 256.5941 49.93900 257.0763 46.97546 257.5584 44.32404 258.0405 41.83780 258.5226 39.23773 259.0047 36.37775 259.4868 33.66245 259.9690 31.29954 260.4511 29.38090 260.9332 27.40881 261.4153 25.36751 261.8974 23.26195 262.3795 21.08374 262.8617 18.68400 263.3438 16.52409 263.8259 14.76884 264.3080 13.47641 264.7901 12.21033 265.2722 10.88200 265.7544 9.683388 266.2365 9.061783 266.7186 9.341858 267.2007 9.197510 267.6829 8.082611 268.1650 5.905846 268.6471 4.102898 269.1292 2.682083 269.6113 1.567062 270.0934 0.6685410 270.5756 1.5991000E-02 271.0577 0.4987870 271.5398 0.7296600 272.0219 0.7200010 272.5040 0.8053050 272.9861 1.026016 273.4683 1.270531 273.9504 1.415085 274.4325 1.429970 274.9146 1.409821 275.3967 1.417976 275.8788 1.441048 276.3610 1.498512 276.8431 1.651253 277.3252 1.615250 277.8073 0.9603200 278.2894 0.3937070 278.7715 1.392044 279.2537 1.689896 279.7358 1.496597 280.2179 1.769958 280.7000 2.603058 281.1821 3.481377 281.6642 3.944183 282.1464 3.993614 282.6285 4.166023 283.1106 4.532166 283.5927 5.068146 284.0748 5.785004 284.5569 6.704338 285.0391 7.599144 285.5212 8.186447 286.0033 8.529137 286.4854 9.316429 286.9675 10.68343 287.4496 12.28638 287.9318 13.38725 288.4139 14.03577 288.8960 14.59680 289.3781 15.41214 289.8602 16.42053 290.3424 17.25367 290.8245 17.91566 291.3066 18.46764 291.7887 19.08024 292.2708 19.75890 292.7530 20.54168 293.2351 21.62773 293.7172 22.87169 294.1993 23.52859 294.6814 23.48453 295.1635 23.39652 295.6457 24.18546 296.1278 25.66080 296.6099 27.16608 297.0920 28.48887 297.5741 29.57845 298.0562 30.30811 298.5384 30.61096 299.0205 30.77724 299.5026 31.03320 299.9847 31.35863 300.4668 31.70831 300.9489 32.10416 301.4311 32.48863 301.9132 32.76323 302.3953 32.93336 302.8774 33.05994 303.3595 33.18826 303.8416 33.30185 304.3238 33.37126 304.8059 33.39771 305.2880 33.36860 305.7701 33.29915 306.2522 33.18061 306.7343 32.94839 307.2165 32.46027 307.6986 31.86275 308.1807 31.36243 308.6628 31.10982 309.1449 30.78671 309.6270 30.01070 310.1092 28.91798 310.5913 27.97356 311.0734 27.60464 311.5555 27.39861 312.0376 27.01737 312.5197 26.39674 313.0019 25.60127 313.4840 24.51290 313.9661 23.26913 314.4482 22.14103 314.9304 21.42232 315.4125 20.72899 315.8946 19.81435 316.3767 18.60649 316.8588 17.38621 317.3409 16.10060 317.8231 14.90557 318.3052 14.00974 318.7873 13.94067 319.2694 13.76598 319.7515 12.85456 320.2336 11.08772 320.7158 9.472641 321.1979 9.439354 321.6800 9.157623 322.1621 8.640663 322.6442 7.184479 323.1263 6.940773 323.6085 6.210915 324.0906 5.461021 324.5727 5.387596 325.0548 4.067329 325.5369 4.039917 326.0190 3.742355 326.5012 3.839867 326.9833 3.866814 327.4654 3.841522 327.9475 3.734779 328.4296 3.413635 328.9117 2.552437 329.3939 1.754120 329.8760 1.286865 330.3581 1.442070 330.8402 1.355125 331.3223 0.8010410 331.8044 6.6680998E-02 332.2866 0.2406770 332.7687 0.2004620 333.2508 0.5991440 333.7329 0.6969300 334.2150 0.4293750 334.6971 0.1349870 335.1793 0.2174380 335.6614 0.5158390 336.1435 0.6206130 336.6256 0.5616000 337.1077 0.4424970 337.5899 0.2383040 338.0720 4.1908000E-02 338.5541 9.4292000E-02 339.0362 0.1457140 339.5183 0.4598240 340.0005 0.6844790 340.4826 0.8338320 340.9647 0.7650150 341.4468 0.3442310 341.9289 0.2533040 342.4110 0.3839800 342.8932 2.1438999E-02 343.3753 0.4532170 343.8574 1.035851 344.3395 0.3982390 344.8216 9.4680004E-03 345.3037 0.1440280 345.7859 0.6416780 346.2680 0.2152940 346.7501 0.2751920 347.2322 0.3553470 347.7143 0.2407000 348.1964 0.4100650 348.6786 0.1747510 349.1607 0.2660680 349.6428 0.5831070 350.1249 0.4111250 350.6070 0.3900830 351.0891 0.3255460 351.5713 0.2440800 352.0534 0.5652390 352.5355 0.6512830 353.0176 0.2017820 353.4997 0.1575470 353.9818 3.0815000E-02 354.4640 0.1159290 354.9461 0.4137340 355.4282 0.3033520 355.9103 0.2152860 356.3924 0.2404940 356.8745 0.4914630 357.3567 0.2534260 357.8388 0.1663740 358.3209 0.5683820 358.8030 0.6995320 359.2851 0.4050370 359.7672 0.6701130 360.2494 6.4673997E-02 360.7315 7.7826999E-02 361.2136 0.5988240 361.6957 0.3286970 362.1779 0.1107250 362.6600 7.4805997E-02 363.1421 0.3781660 363.6242 0.7944950 364.1063 0.9443970 364.5884 1.028847 365.0706 1.252007 365.5527 1.906631 366.0348 2.438347 366.5169 2.674339 366.9990 2.629196 367.4811 2.598358 367.9633 2.526985 368.4454 2.532997 368.9275 2.692001 369.4096 3.351974 369.8917 3.677444 370.3738 3.420097 370.8560 2.826530 371.3381 2.593864 371.8202 2.902084 372.3023 3.325394 372.7844 3.709297 373.2665 4.038109 373.7487 4.405396 374.2308 4.892082 374.7129 5.336975 375.1950 5.496056 375.6771 5.278641 376.1592 5.053520 376.6414 4.850204 377.1235 4.697784 377.6056 4.948967 378.0877 5.716965 378.5698 6.526558 379.0519 6.953156 379.5341 6.991959 380.0162 6.971077 380.4983 6.896095 380.9804 6.849632 381.4625 7.013283 381.9446 7.386734 382.4268 7.911911 382.9089 8.720093 383.3910 9.666000 383.8731 10.22793 384.3553 10.29746 384.8374 10.29533 385.3195 10.82452 385.8016 11.70302 386.2837 12.40302 386.7658 12.50070 387.2480 12.37654 387.7301 12.49429 388.2122 12.85773 388.6943 13.33546 389.1764 13.87717 389.6585 14.43166 390.1407 14.97019 390.6228 15.61086 391.1049 16.13940 391.5870 16.24305 392.0691 16.06987 392.5512 16.08839 393.0334 16.87993 393.5155 17.66487 393.9976 17.23553 394.4797 17.92422 394.9618 18.37141 395.4439 18.59362 395.9261 17.99531 396.4082 18.39603 396.8903 18.33213 397.3724 18.19614 397.8545 18.08394 398.3366 18.46422 398.8188 18.63755 399.3009 18.63607 399.7830 17.86520 400.2651 18.13032 400.7472 17.96902 401.2293 17.76640 401.7115 18.10682 402.1936 17.42339 402.6757 17.81628 403.1578 17.07255 403.6399 16.22629 404.1220 15.64228 404.6042 15.35061 405.0863 14.90253 405.5684 14.26403 406.0505 13.55707 406.5326 13.07728 407.0147 12.80821 407.4969 12.66331 407.9790 12.69907 408.4611 12.81970 408.9432 12.57196 409.4254 11.98500 409.9075 11.28993 410.3896 10.64294 410.8717 10.02521 411.3538 9.451508 411.8359 8.901405 412.3181 8.393677 412.8002 8.006172 413.2823 7.690666 413.7644 7.387215 414.2465 6.952316 414.7286 6.513542 415.2108 6.300835 415.6929 6.334442 416.1750 6.284744 416.6571 5.779900 417.1392 5.073265 417.6213 4.491173 418.1035 4.223480 418.5856 4.028702 419.0677 3.795990 419.5498 3.524216 420.0319 3.217743 420.5140 2.781570 420.9962 2.388885 421.4783 2.142807 421.9604 1.429535 422.4425 1.953224 422.9246 2.228653 423.4067 2.269135 423.8889 1.370659 424.3710 1.684937 424.8531 1.513397 425.3352 1.322037 425.8173 1.807365 426.2994 1.046127 426.7816 1.520966 427.2637 1.502548 427.7458 2.303955 428.2279 2.741867 428.7100 2.944893 429.1921 2.208908 429.6743 2.685692 430.1564 2.676636 430.6385 2.647774 431.1206 3.295609 431.6028 2.696846 432.0849 3.334160 432.5670 3.478264 433.0491 3.848289 433.5312 3.729431 434.0133 3.761688 434.4955 4.246666 434.9776 4.836960 435.4597 5.225769 435.9418 5.579597 436.4239 6.278244 436.9060 7.255104 437.3882 8.117378 437.8703 8.509766 438.3524 8.669655 438.8345 8.911575 439.3166 9.263100 439.7987 9.730141 440.2809 10.43798 440.7630 11.24355 441.2451 11.91692 441.7272 12.18530 442.2093 12.45979 442.6914 12.95928 443.1736 13.66448 443.6557 14.42909 444.1378 15.18830 444.6199 16.00272 445.1020 16.90045 445.5841 17.85954 446.0663 18.95151 446.5484 20.31953 447.0305 21.79932 447.5126 23.12021 447.9947 24.07600 448.4768 25.10102 448.9590 26.30255 449.4411 27.67869 449.9232 29.10392 450.4053 30.67899 450.8874 32.17672 451.3695 33.33831 451.8517 34.03358 452.3338 35.02556 452.8159 36.42651 453.2980 38.10054 453.7801 39.82779 454.2622 41.59485 454.7444 43.36110 455.2265 45.04893 455.7086 46.72844 456.1907 48.59215 456.6729 50.66563 457.1550 52.79186 457.6371 54.95554 458.1192 57.10764 458.6013 59.17683 459.0834 61.13000 459.5656 62.92416 460.0477 64.52071 460.5298 65.95644 461.0119 67.24200 461.4940 68.36681 461.9761 69.32550 462.4583 70.12675 462.9404 70.79280 463.4225 71.34431 463.9046 72.00982 464.3867 72.43697 464.8688 72.28316 465.3510 71.12811 465.8331 69.77914 466.3152 68.41491 466.7973 67.00842 467.2794 65.42580 467.7615 63.38832 468.2437 61.37093 468.7258 59.54050 469.2079 57.99139 469.6900 56.34221 470.1721 54.49876 470.6542 52.63911 471.1364 51.01695 471.6185 49.70502 472.1006 48.33167 472.5827 46.80353 473.0648 45.18977 473.5469 43.73962 474.0291 42.47256 474.5112 41.14690 474.9933 39.51173 475.4754 37.67857 475.9575 36.17501 476.4396 35.04936 476.9218 34.01688 477.4039 32.86160 477.8860 31.57573 478.3681 30.13538 478.8503 28.42850 479.3324 26.69110 479.8145 25.10780 480.2966 23.66618 480.7787 22.39175 481.2608 21.41109 481.7430 20.48571 482.2251 19.44494 482.7072 18.25242 483.1893 17.04259 483.6714 15.70245 484.1535 14.43737 484.6357 13.45277 485.1178 13.00497 485.5999 12.57343 486.0820 12.16886 486.5641 11.74377 487.0462 11.07256 487.5284 9.907112 488.0105 8.831558 488.4926 8.108093 488.9747 7.825905 489.4568 7.347794 489.9389 6.611069 490.4211 5.798904 490.9032 5.117256 491.3853 4.566193 491.8674 4.067245 492.3495 3.597847 492.8316 3.184273 493.3138 2.888000 493.7959 2.703667 494.2780 2.598564 494.7601 2.657631 495.2422 2.756615 495.7243 2.616600 496.2065 2.213562 496.6886 1.804863 497.1707 1.577454 497.6528 1.470062 498.1349 1.399864 498.6170 1.352966 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523.6871 0.6022340 524.1693 0.7343140 524.6514 1.042152 525.1335 1.117546 525.6156 0.9360580 526.0977 0.6783220 526.5798 0.5645900 527.0620 0.5246120 527.5441 0.3264690 528.0262 0.1551670 528.5083 0.6642070 528.9904 0.9053420 529.4725 0.9525300 529.9547 0.9838940 530.4368 1.075951 530.9189 1.186104 531.4010 1.251587 531.8831 1.274986 532.3652 1.411186 532.8474 1.735176 533.3295 2.170853 533.8116 2.689789 534.2937 3.444664 534.7758 4.003807 535.2579 4.228943 535.7401 4.318680 536.2222 4.531403 536.7043 4.844879 537.1865 5.351707 537.6686 6.106934 538.1507 7.071060 538.6328 8.079887 539.1149 9.175728 539.5970 10.11788 540.0792 10.54288 540.5613 10.63865 541.0434 11.33047 541.5255 12.69065 542.0076 14.25249 542.4897 15.69290 542.9719 16.99318 543.4540 18.11250 543.9361 18.93489 544.4182 19.72913 544.9003 20.70425 545.3824 21.79812 545.8646 22.87417 546.3467 23.81458 546.8288 24.77886 547.3109 25.86804 547.7930 27.07918 548.2751 28.21478 548.7573 29.10014 549.2394 30.01559 549.7215 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