#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2200272.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2200272_Fobs
loop_
_publ_author_name
'Rei\&s, Guido J.'
_publ_section_title
;
 Triaquatris[tetraoxorhenato(VII)]neodymium(III)
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i35
_journal_page_last               i37
_journal_volume                  57
_journal_year                    2001
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 102.900
_cell_angle_gamma                90.000
_cell_length_a                   7.5500
_cell_length_b                   13.6600
_cell_length_c                   12.8500
_exptl_crystal_F_000             1644.00
_reflns_d_resolution_high        0.8409
_[local]_cod_data_source_file    bt6037Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' BT6037'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            636.25
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_calc
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_observed_status
1 0 0 35173.43 32934.82 479.22 o
3 0 0 103993.41 104018.77 2554.61 o
4 0 0 29894.63 30143.56 1339.20 o
6 0 0 47753.41 49434.11 1358.15 o
7 0 0 3525.33 3595.79 237.63 o
8 0 0 89063.05 88595.16 4453.39 o
1 1 0 31449.14 29795.42 637.37 o
2 1 0 7052.13 10939.39 1902.88 o
3 1 0 17616.12 17571.78 267.98 o
4 1 0 13996.55 13380.70 243.06 o
5 1 0 1164.53 1341.62 195.39 o
6 1 0 5631.51 5975.85 178.98 o
7 1 0 446.25 664.35 186.72 o
8 1 0 2660.52 2576.92 146.77 o
0 2 0 105776.90 78109.74 7157.76 o
1 2 0 12876.55 11928.08 424.36 o
2 2 0 104026.69 108280.53 2629.84 o
3 2 0 22183.49 20059.59 726.26 o
4 2 0 43575.48 44542.53 1384.59 o
5 2 0 28793.76 29187.65 1096.02 o
6 2 0 4574.31 4708.70 224.11 o
7 2 0 2316.27 2137.73 114.91 o
8 2 0 1573.52 1373.68 208.89 o
1 3 0 56307.23 52893.46 3184.36 o
2 3 0 2130.28 2139.00 138.95 o
3 3 0 10228.39 8294.45 478.59 o
4 3 0 896.85 831.96 103.39 o
5 3 0 24578.74 24464.84 575.10 o
6 3 0 4170.02 4187.70 237.95 o
7 3 0 3632.65 3785.81 147.44 o
8 3 0 7435.65 7117.38 176.44 o
0 4 0 5835.10 4496.39 995.50 o
1 4 0 47076.25 46777.24 819.24 o
2 4 0 179.28 16.07 142.45 o
3 4 0 212273.08 209796.78 5680.74 o
4 4 0 7074.18 7600.16 660.78 o
5 4 0 120724.80 122531.94 3678.78 o
6 4 0 19690.78 19701.23 318.01 o
7 4 0 17099.75 16629.92 351.19 o
8 4 0 3852.41 3784.21 217.42 o
1 5 0 47856.09 48111.83 467.69 o
2 5 0 612.63 393.76 143.67 o
3 5 0 27916.99 26898.19 1469.73 o
4 5 0 308.76 378.34 135.40 o
5 5 0 7622.40 8085.80 247.39 o
6 5 0 1449.08 1466.99 223.76 o
7 5 0 176.70 70.59 165.19 o
8 5 0 4761.93 4886.80 181.51 o
0 6 0 92818.73 84465.69 3190.93 o
1 6 0 2480.86 2420.61 295.95 o
2 6 0 84109.21 75802.37 4879.82 o
3 6 0 1314.00 1185.85 147.94 o
4 6 0 372.75 6207.17 3645.04 o
5 6 0 1239.85 1384.03 136.32 o
6 6 0 49322.63 47463.93 1189.88 o
7 6 0 19383.57 20167.33 508.59 o
8 6 0 53709.45 52602.32 1133.11 o
1 7 0 136027.48 135324.97 3236.25 o
2 7 0 16816.00 15877.54 1420.31 o
3 7 0 33832.36 30353.62 1761.97 o
4 7 0 29103.21 29655.84 695.37 o
5 7 0 1236.20 2239.08 319.86 o
6 7 0 6809.04 6636.36 132.60 o
7 7 0 12759.48 12723.53 484.25 o
0 8 0 366.05 553.04 364.66 o
1 8 0 2065.52 1597.37 599.76 o
2 8 0 82.74 407.04 180.30 o
3 8 0 21866.18 19513.55 1494.98 o
4 8 0 6433.29 6624.04 388.05 o
5 8 0 34109.52 32535.42 2364.97 o
6 8 0 17022.72 17646.05 427.43 o
7 8 0 33095.11 32425.28 1202.99 o
1 9 0 344.46 220.60 359.13 o
2 9 0 17207.90 14957.83 1723.95 o
3 9 0 910.01 733.64 249.88 o
4 9 0 29451.80 29603.62 1891.86 o
5 9 0 165.45 104.04 153.39 o
6 9 0 11489.23 11465.77 633.46 o
7 9 0 33.73 0.00 162.47 o
0 10 0 62416.60 64012.10 519.98 o
1 10 0 26194.32 27502.00 854.51 o
2 10 0 40483.69 43059.67 1702.68 o
3 10 0 153298.81 146836.92 9202.58 o
4 10 0 97.65 419.31 209.92 o
5 10 0 119341.30 126911.09 677.39 o
6 10 0 4350.33 3664.20 283.41 o
1 11 0 21475.31 20684.83 746.09 o
2 11 0 47425.98 55862.58 1258.50 o
3 11 0 3926.96 4019.09 594.23 o
4 11 0 83348.72 73389.89 13101.52 o
5 11 0 50.03 9.80 184.99 o
6 11 0 42011.74 40932.78 2367.52 o
0 12 0 14517.84 14223.90 492.02 o
1 12 0 955.55 983.48 241.30 o
2 12 0 6993.11 6659.45 829.35 o
3 12 0 1230.04 1492.56 382.58 o
4 12 0 6.75 388.14 236.24 o
5 12 0 5849.18 5556.28 425.65 o
1 13 0 23807.94 24395.81 307.17 o
2 13 0 1860.99 1879.67 266.40 o
3 13 0 268.07 1058.32 442.12 o
4 13 0 122.73 0.00 433.89 o
5 13 0 13322.69 12331.02 1284.88 o
0 14 0 47321.83 50872.02 619.32 o
1 14 0 552.66 801.37 270.48 o
2 14 0 19593.19 19236.79 1680.50 o
3 14 0 2906.60 2961.32 370.37 o
4 14 0 328.01 257.91 324.93 o
1 15 0 3274.78 3131.55 304.91 o
2 15 0 2564.93 2459.53 222.33 o
3 15 0 201.27 254.62 250.46 o
0 16 0 1758.62 1479.71 276.32 o
1 16 0 636.50 1703.59 463.28 o
-8 1 1 15629.10 16143.44 640.80 o
-7 1 1 10529.01 10841.69 192.11 o
-6 1 1 92.16 0.00 193.80 o
-5 1 1 9880.99 9954.81 173.02 o
-4 1 1 54324.96 54880.14 603.08 o
-3 1 1 13540.27 14059.63 263.85 o
-2 1 1 86951.05 91707.36 2793.16 o
-1 1 1 1125.91 1207.03 140.04 o
1 1 1 8700.99 8326.69 266.62 o
2 1 1 56729.65 57218.42 2163.80 o
3 1 1 35049.66 34656.16 818.83 o
4 1 1 139935.64 142067.03 2525.16 o
5 1 1 130802.05 132245.64 3076.05 o
6 1 1 82247.02 85599.70 1807.81 o
7 1 1 71075.47 73701.84 464.30 o
8 1 1 10027.41 10506.62 362.86 o
-8 2 1 3616.76 3619.48 143.71 o
-7 2 1 350.08 623.51 192.10 o
-6 2 1 7059.13 7014.51 141.84 o
-5 2 1 1201.54 1030.09 105.44 o
-4 2 1 4421.92 4359.23 214.52 o
-3 2 1 10861.13 11096.17 160.78 o
-2 2 1 5271.05 6764.00 727.66 o
-1 2 1 18864.76 19233.41 998.95 o
0 2 1 3128.51 3374.89 1206.23 o
1 2 1 25634.76 24107.78 1353.93 o
2 2 1 4344.43 3560.17 182.94 o
3 2 1 13214.41 13334.83 479.75 o
4 2 1 21048.72 20598.83 452.54 o
5 2 1 12665.93 12397.93 205.80 o
6 2 1 18579.26 18760.75 660.10 o
7 2 1 317.13 302.19 108.35 o
8 2 1 4069.29 3836.18 149.98 o
-8 3 1 4869.71 4826.67 206.51 o
-7 3 1 164383.30 166352.23 2618.19 o
-6 3 1 133.10 0.00 150.50 o
-5 3 1 187950.72 178217.52 1728.41 o
-4 3 1 28062.59 27163.19 850.69 o
-3 3 1 12429.76 12337.24 604.64 o
-2 3 1 41977.51 39840.59 1450.18 o
-1 3 1 194559.47 193474.00 7632.20 o
0 3 1 3828.57 3318.54 900.86 o
2 3 1 19266.32 18156.74 751.46 o
3 3 1 335912.47 348682.53 6257.38 o
4 3 1 43198.73 41417.67 1394.74 o
5 3 1 26952.12 28559.68 699.21 o
6 3 1 4442.71 4559.00 208.11 o
7 3 1 7533.60 7359.03 239.79 o
8 3 1 4391.01 4143.82 177.63 o
-8 4 1 25238.82 25345.27 936.40 o
-7 4 1 5039.96 4975.61 236.62 o
-6 4 1 44933.18 45723.04 1001.52 o
-5 4 1 38355.03 38698.20 1345.18 o
-4 4 1 15913.80 14726.95 693.72 o
-3 4 1 83556.91 87067.86 610.39 o
-2 4 1 3882.71 3725.47 200.93 o
-1 4 1 96199.50 94791.12 2669.09 o
0 4 1 102832.33 90818.39 3975.29 o
1 4 1 30984.71 32169.00 523.65 o
2 4 1 40407.01 37391.84 1640.39 o
3 4 1 2159.01 2048.12 130.38 o
4 4 1 58502.66 58018.94 1994.14 o
5 4 1 144.90 106.11 140.63 o
6 4 1 19141.20 19465.65 472.85 o
7 4 1 317.54 388.34 125.24 o
8 4 1 1991.70 1686.38 236.10 o
-8 5 1 117.41 238.71 126.02 o
-7 5 1 8957.94 9176.11 169.32 o
-6 5 1 12868.64 12615.26 275.94 o
-5 5 1 7792.93 7926.46 273.18 o
-4 5 1 46964.36 44842.17 2150.51 o
-3 5 1 805.07 1009.50 132.07 o
-2 5 1 81216.93 76825.11 4181.37 o
-1 5 1 3492.90 3533.11 304.28 o
0 5 1 60224.63 59560.64 1730.45 o
1 5 1 4672.99 4847.59 368.07 o
2 5 1 13574.32 12906.68 810.90 o
3 5 1 24254.33 23073.80 866.49 o
4 5 1 724.98 752.88 101.69 o
5 5 1 6031.53 6067.27 146.14 o
6 5 1 10693.72 10728.89 318.39 o
7 5 1 6.10 10.49 146.77 o
8 5 1 18541.34 17809.98 643.73 o
-8 6 1 6630.52 6462.00 155.12 o
-7 6 1 4167.81 4161.05 351.05 o
-6 6 1 1309.12 1321.76 119.84 o
-5 6 1 59.06 266.29 130.07 o
-4 6 1 821.21 651.44 273.36 o
-3 6 1 92.79 88.89 130.59 o
-2 6 1 150.26 0.00 208.44 o
-1 6 1 1840.11 1578.55 346.79 o
0 6 1 523.52 763.69 288.55 o
1 6 1 7714.11 7900.69 312.85 o
2 6 1 12159.04 10972.01 528.21 o
3 6 1 18962.80 18182.92 915.64 o
4 6 1 22126.14 21811.16 1441.17 o
5 6 1 29731.50 29199.07 1111.81 o
6 6 1 27632.45 27455.86 994.25 o
7 6 1 7324.47 6984.65 368.47 o
-8 7 1 9004.75 9672.64 202.69 o
-7 7 1 16521.80 16597.19 704.94 o
-6 7 1 26827.05 26549.12 1003.95 o
-5 7 1 31706.53 32105.21 1430.61 o
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1 7 1 65801.82 65228.96 2576.35 o
2 7 1 629.08 563.52 165.66 o
3 7 1 13983.03 13868.60 319.66 o
4 7 1 66057.29 66108.29 3439.46 o
5 7 1 131.23 0.00 217.48 o
6 7 1 72869.48 72050.36 2722.31 o
7 7 1 8326.55 7940.74 165.28 o
-7 8 1 24.68 94.53 145.67 o
-6 8 1 621.37 949.70 181.35 o
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-3 8 1 42247.04 39153.41 2833.89 o
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0 8 1 347.92 410.15 295.76 o
1 8 1 238.63 237.27 631.90 o
2 8 1 330.40 314.17 175.09 o
3 8 1 24392.26 22527.42 2881.30 o
4 8 1 7479.24 7173.81 407.37 o
5 8 1 15765.63 15380.01 814.64 o
6 8 1 8697.30 8841.08 553.14 o
7 8 1 8983.13 9233.34 449.67 o
-7 9 1 14193.01 13592.65 738.80 o
-6 9 1 5125.48 5040.83 636.09 o
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-2 9 1 23717.13 24098.35 370.51 o
-1 9 1 26144.20 26340.00 727.66 o
0 9 1 44992.72 46582.39 429.43 o
1 9 1 41890.30 39439.31 2182.61 o
2 9 1 48420.96 50202.96 1600.09 o
3 9 1 9109.92 8489.82 459.74 o
4 9 1 14571.80 14604.15 956.15 o
5 9 1 1234.44 1109.50 158.31 o
6 9 1 3.07 544.63 177.82 o
7 9 1 22522.46 21848.13 1111.31 o
-7 10 1 3772.39 3789.47 400.95 o
-6 10 1 25531.48 24542.51 1878.97 o
-5 10 1 126.72 439.71 190.22 o
-4 10 1 8934.01 8140.36 522.81 o
-3 10 1 849.45 582.79 221.77 o
-2 10 1 2797.06 2589.61 451.98 o
-1 10 1 229.47 773.69 502.20 o
0 10 1 40850.67 43474.17 698.68 o
1 10 1 12153.93 12540.56 803.63 o
2 10 1 68414.38 65276.59 4762.06 o
3 10 1 26347.29 27304.97 1591.59 o
4 10 1 5465.39 5199.12 387.91 o
5 10 1 11882.52 11333.85 1287.73 o
6 10 1 6806.62 5460.87 373.96 o
-6 11 1 5371.47 5140.55 446.51 o
-5 11 1 11287.87 11400.99 1053.13 o
-4 11 1 6553.50 6353.66 400.74 o
-3 11 1 576.50 188.34 320.89 o
-2 11 1 7076.48 8839.90 923.94 o
-1 11 1 9188.05 9368.02 611.22 o
0 11 1 16292.92 17298.49 403.65 o
1 11 1 35140.62 35821.09 1126.68 o
2 11 1 17508.41 17724.58 983.09 o
3 11 1 8817.27 8858.19 704.34 o
4 11 1 6430.00 5449.47 990.66 o
5 11 1 673.33 540.23 182.86 o
6 11 1 63.62 0.00 180.14 o
-6 12 1 17.44 23.68 479.22 o
-5 12 1 21656.42 21230.51 1660.48 o
-4 12 1 108.24 519.68 246.02 o
-3 12 1 61855.31 58856.59 5017.25 o
-2 12 1 283.89 289.49 347.26 o
-1 12 1 62872.71 64775.18 3010.79 o
0 12 1 566.98 418.89 245.76 o
1 12 1 26855.92 28071.08 286.69 o
2 12 1 80.62 559.37 442.56 o
3 12 1 1626.10 1451.02 329.90 o
4 12 1 697.16 556.94 216.58 o
5 12 1 2322.58 2157.69 181.70 o
-5 13 1 494.44 377.43 197.69 o
-4 13 1 24420.10 22912.41 1760.19 o
-3 13 1 7.79 0.00 458.74 o
-2 13 1 39064.54 37325.52 2395.76 o
-1 13 1 2332.76 2721.00 199.30 o
0 13 1 11550.58 11556.88 270.30 o
1 13 1 4651.96 4452.06 207.02 o
2 13 1 4698.77 4778.31 475.91 o
3 13 1 1.61 268.06 451.56 o
4 13 1 21521.77 21569.32 1304.28 o
5 13 1 6913.92 6606.08 599.72 o
-4 14 1 5945.06 4311.38 478.15 o
-3 14 1 120117.13 114033.02 6347.39 o
-2 14 1 4334.68 4690.30 316.20 o
-1 14 1 100358.40 103660.83 1812.78 o
0 14 1 20013.51 20578.79 369.83 o
1 14 1 18039.56 18646.69 721.74 o
2 14 1 15367.52 15944.69 1083.62 o
3 14 1 6347.31 6951.09 543.12 o
4 14 1 745.19 786.34 297.31 o
-3 15 1 102.13 0.00 237.50 o
-2 15 1 1000.22 817.43 195.37 o
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1 15 1 12833.23 12707.10 294.14 o
2 15 1 1019.50 926.65 219.59 o
3 15 1 13910.04 13006.71 1019.31 o
-1 16 1 612.31 484.81 270.52 o
0 16 1 27947.06 27645.88 353.62 o
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-8 0 2 59442.49 62466.04 2814.37 o
-7 0 2 10518.84 10427.27 600.01 o
-5 0 2 5291.31 5114.16 266.65 o
-3 0 2 29520.48 28021.52 898.77 o
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-1 0 2 117345.77 117188.28 1311.04 o
1 0 2 25141.76 27003.76 2198.82 o
2 0 2 172991.05 179159.52 3424.63 o
3 0 2 8009.71 7725.60 237.95 o
4 0 2 174850.98 180286.28 7842.13 o
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6 0 2 27122.56 27814.03 1103.96 o
7 0 2 564.24 312.71 158.97 o
8 0 2 1202.60 1221.63 182.06 o
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-7 1 2 6567.05 6805.01 147.01 o
-6 1 2 211.06 37.94 145.99 o
-5 1 2 14534.82 14162.15 281.61 o
-4 1 2 5658.83 5350.51 181.51 o
-3 1 2 6216.29 5814.05 247.58 o
-2 1 2 17705.98 17629.57 611.82 o
-1 1 2 244.61 230.38 125.95 o
0 1 2 2827.83 3036.83 662.78 o
1 1 2 2162.71 5648.86 2171.58 o
2 1 2 784.12 799.74 150.49 o
3 1 2 1276.65 1174.81 125.93 o
4 1 2 426.63 350.27 96.63 o
5 1 2 42.38 174.64 119.95 o
6 1 2 280.68 0.00 133.91 o
7 1 2 100.45 0.00 144.27 o
8 1 2 209.86 210.45 124.56 o
-8 2 2 7581.82 7718.60 234.36 o
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-6 2 2 26854.73 26870.77 701.79 o
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-4 2 2 88040.73 87359.62 2022.55 o
-3 2 2 19054.75 18367.29 764.72 o
-2 2 2 117081.52 121434.26 6011.71 o
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0 2 2 88680.64 82037.69 1500.02 o
1 2 2 28088.26 27926.35 1136.41 o
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3 2 2 2790.87 2740.04 360.43 o
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7 2 2 32785.19 33220.43 1205.20 o
8 2 2 30886.48 30809.74 771.20 o
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7 3 2 6821.64 6903.35 206.85 o
8 3 2 12315.37 12077.37 524.70 o
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-7 4 2 42641.27 43044.41 1236.09 o
-6 4 2 1415.30 1238.93 126.70 o
-5 4 2 357.28 727.92 338.79 o
-4 4 2 242.11 331.32 152.75 o
-3 4 2 130403.60 119849.26 2533.16 o
-2 4 2 8537.46 7977.19 390.29 o
-1 4 2 246128.08 233995.14 3235.04 o
0 4 2 71021.38 71614.22 7209.79 o
1 4 2 84978.42 78958.98 5236.25 o
2 4 2 45677.61 44412.55 2037.39 o
3 4 2 60.44 55.49 139.22 o
4 4 2 625.21 667.77 99.79 o
5 4 2 35239.07 36481.00 1297.28 o
6 4 2 28564.90 30050.10 823.28 o
7 4 2 48793.66 50268.89 1609.40 o
8 4 2 47082.91 45011.77 868.83 o
-8 5 2 1690.51 1485.05 179.32 o
-7 5 2 6949.29 6810.78 151.76 o
-6 5 2 4620.03 5256.68 256.80 o
-5 5 2 42095.25 40807.57 2110.95 o
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-2 5 2 172.16 280.79 187.14 o
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0 5 2 1044.22 732.05 379.56 o
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3 5 2 97.48 0.00 140.84 o
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