#------------------------------------------------------------------------------
#$Date: 2009-05-03 21:56:13 +0300 (Sun, 03 May 2009) $
#$Revision: 691 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2220940.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_2220940_Fobs
loop_
_publ_author_name
'Daub, Kathrin'
'Meyer, Gerd'
_publ_section_title
;
 Holmium dodecaiodidoiron-<i>octahedro</i>-hexaholmium,
 {FeHo~6~}I~12~Ho
;
_journal_coeditor_code           WM2215
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i9
_journal_volume                  65
_journal_year                    2009
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   15.2973
_cell_length_b                   15.2973
_cell_length_c                   10.6252
_exptl_crystal_F_000             3393.00
_reflns_d_resolution_high        0.7537
_[local]_cod_data_source_file    wm2215Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '    kd73-1 in R -3'
_shelx_refln_list_code           4
_shelx_F_calc_maximum            2622.35
_shelx_F_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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 2 0 257099.75 225978.05 5616.93 o
0 3 0 27901.58 17296.60 3612.04 o
-2 4 0 87680.59 78287.03 3112.40 o
-4 5 0 218944.81 207623.14 5570.65 o
-1 5 0 5263.07 4650.06 3241.38 o
-3 6 0 3775.21 5821.43 3109.66 o
0 6 0 75295.59 70391.18 2893.39 o
-5 7 0 7158.33 8426.39 2080.46 o
-2 7 0 4884410.00 4896539.00 228693.33 o
-7 8 0 35881.11 35129.92 2131.41 o
-4 8 0 102564.40 96922.36 3378.12 o
-1 8 0 335097.25 310120.31 12663.72 o
-6 9 0 132682.70 127801.13 3908.20 o
-3 9 0 398139.84 357117.03 14633.11 o
0 9 0 330.83 692.23 2238.63 o
-8 10 0 10877.97 11346.37 2349.46 o
-5 10 0 14673.13 12667.36 2453.23 o
-2 10 0 27886.05 26562.93 2064.25 o
-10 11 0 816.54 1469.97 3587.23 o
-7 11 0 48.08 -149.46 2908.95 o
-4 11 0 4999.90 4573.62 2469.76 o
-1 11 0 158159.48 162831.47 9327.28 o
-9 12 0 1556067.38 1604728.75 156097.94 o
-6 12 0 128180.43 127673.36 5965.12 o
-3 12 0 2408.06 4290.21 2552.62 o
0 12 0 62.94 -1934.69 3337.46 o
-11 13 0 104993.25 110892.73 11764.69 o
-8 13 0 53849.23 53428.20 4409.73 o
-5 13 0 14431.65 14941.18 3306.73 o
-2 13 0 882.76 4131.59 2731.71 o
-13 14 0 16778.75 16733.54 4077.42 o
-10 14 0 274986.22 283143.03 25658.10 o
-7 14 0 757.91 3872.09 2627.28 o
-4 14 0 937595.88 1000619.50 65446.43 o
-1 14 0 30397.14 36572.77 5694.35 o
-12 15 0 85868.72 99873.38 14723.83 o
-9 15 0 5156.06 7232.65 3954.93 o
-6 15 0 3417.69 5472.37 3585.78 o
-3 15 0 113269.01 133247.27 11517.00 o
0 15 0 9122.83 8723.49 4134.19 o
-14 16 0 170.35 1117.39 4274.08 o
-11 16 0 20850.41 21867.74 4248.01 o
-8 16 0 70937.29 83894.36 8292.60 o
-5 16 0 180971.63 198213.52 14215.85 o
-2 16 0 6734.95 5872.10 5286.53 o
-16 17 0 224237.69 270445.25 38892.23 o
-13 17 0 52511.26 61784.32 9956.73 o
-10 17 0 1600.26 -164.52 4432.05 o
-7 17 0 21459.98 27272.60 4274.51 o
-4 17 0 77913.88 104195.30 9181.16 o
-1 17 0 5722.76 2649.12 5686.08 o
-15 18 0 205.26 2872.99 5119.00 o
-12 18 0 7098.56 7408.08 5475.82 o
-9 18 0 1975.32 1476.69 4751.54 o
-6 18 0 8622.84 7784.26 4932.70 o
-3 18 0 37418.26 34796.90 5408.79 o
-14 19 0 1640.26 7984.60 6862.46 o
-11 19 0 226138.52 289189.34 33101.99 o
-8 19 0 41475.18 44752.14 5374.06 o
-5 19 0 1520.99 7880.31 5241.60 o
-10 20 0 8264.61 11773.79 6204.26 o
-1 1 1 80827.63 78852.62 5488.80 o
-3 2 1 136678.33 128968.24 4611.86 o
0 2 1 83660.01 79648.48 4021.01 o
-5 3 1 447200.06 458214.78 10467.66 o
-2 3 1 16144.57 14687.10 3011.52 o
1 3 1 261637.66 243396.05 6188.97 o
-7 4 1 75.90 2090.65 2349.86 o
-4 4 1 2144.80 1633.09 2830.11 o
-1 4 1 271773.81 241243.33 4846.52 o
2 4 1 689578.44 645763.19 8508.02 o
-9 5 1 32365.45 35542.46 2305.44 o
-6 5 1 40842.12 45460.81 3046.74 o
-3 5 1 89.80 755.46 3670.29 o
0 5 1 600447.69 564745.13 17549.22 o
3 5 1 2.24 381.27 2297.04 o
-11 6 1 203050.44 200975.27 4651.56 o
-8 6 1 42458.41 44028.50 2486.73 o
-5 6 1 1832.95 4379.27 3150.38 o
-2 6 1 17871.21 17272.23 2554.08 o
1 6 1 7609.27 8421.75 2283.30 o
4 6 1 2694.69 2646.34 2440.06 o
-13 7 1 506784.53 542976.50 22279.67 o
-10 7 1 1570.30 2032.26 2149.10 o
-7 7 1 48336.25 48771.28 2915.12 o
-4 7 1 7768.03 12021.09 2405.30 o
-1 7 1 22089.04 22352.00 2669.20 o
2 7 1 2148.38 1244.39 2315.67 o
5 7 1 186933.48 196951.38 6662.99 o
-15 8 1 37598.06 39920.81 3029.02 o
-12 8 1 264743.09 266982.34 13200.73 o
-9 8 1 28489.08 30691.89 2526.00 o
-6 8 1 203467.48 197097.27 8453.08 o
-3 8 1 19019.52 19211.56 2424.99 o
0 8 1 13174.60 14002.61 2465.09 o
3 8 1 27719.85 27787.94 3552.04 o
6 8 1 6348.37 8812.18 2396.36 o
-17 9 1 8646.77 12478.47 3827.61 o
-14 9 1 65875.19 67231.05 3040.20 o
-11 9 1 8843.68 8520.53 2855.69 o
-8 9 1 424162.09 412546.44 23705.65 o
-5 9 1 175182.47 160242.28 4078.24 o
-2 9 1 29048.11 30262.77 2288.25 o
1 9 1 44007.44 43145.89 3498.32 o
4 9 1 2200.33 2303.38 2962.95 o
7 9 1 6273.78 8069.80 3114.88 o
-19 10 1 19699.70 20899.46 4945.09 o
-16 10 1 34375.62 38494.37 3297.66 o
-13 10 1 3835.80 3021.78 2536.85 o
-10 10 1 12271.41 12129.79 2684.17 o
-7 10 1 697711.44 680171.88 38050.73 o
-4 10 1 36779.90 35941.77 2522.63 o
-1 10 1 207522.17 210312.02 13770.40 o
2 10 1 7654.20 6371.75 3341.96 o
5 10 1 48614.51 54022.05 4064.22 o
8 10 1 14050.76 14222.42 4324.09 o
-18 11 1 132217.66 138582.63 16400.76 o
-15 11 1 1544.63 3227.55 2888.06 o
-12 11 1 15685.29 14421.05 2814.67 o
-9 11 1 28374.92 26598.25 2659.80 o
-6 11 1 46575.41 45634.20 2716.18 o
-3 11 1 63522.21 57971.95 3179.55 o
0 11 1 386581.13 386747.94 22043.47 o
3 11 1 73205.40 85519.29 5687.99 o
6 11 1 14091.08 16404.65 4783.43 o
9 11 1 416.04 -3375.30 7087.55 o
-20 12 1 139302.88 69773.60 11212.37 o
-17 12 1 41229.21 41333.93 4636.03 o
-14 12 1 6669.03 8122.17 3297.21 o
-11 12 1 24956.38 24627.83 2501.09 o
-8 12 1 2158.41 2944.33 3131.67 o
-5 12 1 4006.35 2723.32 2461.71 o
-2 12 1 464600.28 472270.69 31631.85 o
1 12 1 1449.87 2287.54 3004.15 o
4 12 1 167551.70 187792.52 23546.18 o
7 12 1 33737.61 28069.03 9115.05 o
-19 13 1 47413.24 34439.30 9003.20 o
-16 13 1 20598.12 18523.05 4512.46 o
-13 13 1 156583.16 171771.58 16137.18 o
-10 13 1 3898.75 5818.56 2550.62 o
-7 13 1 21140.14 22020.18 2715.37 o
-4 13 1 463.64 -381.40 2629.93 o
-1 13 1 80835.21 89890.88 5814.02 o
2 13 1 370.35 1997.29 4241.06 o
5 13 1 197331.84 234336.53 36339.17 o
-18 14 1 2458.75 723.33 4960.93 o
-15 14 1 184297.31 194710.14 34838.63 o
-12 14 1 17.96 2781.33 2964.93 o
-9 14 1 13133.17 14324.71 3565.23 o
-6 14 1 7252.88 10082.72 2488.48 o
-3 14 1 10013.60 10911.03 3433.78 o
0 14 1 9403.65 12154.67 3424.99 o
3 14 1 100022.41 121561.27 15150.65 o
-17 15 1 30545.56 32558.28 5319.30 o
-14 15 1 246106.53 294370.88 35999.66 o
-11 15 1 65289.74 74100.41 12536.35 o
-8 15 1 161056.38 180857.70 14152.93 o
-5 15 1 87.97 2126.42 3099.01 o
-2 15 1 23720.16 24706.87 3985.39 o
1 15 1 13285.81 10827.38 4202.63 o
4 15 1 45677.86 22496.32 7016.02 o
-16 16 1 84368.56 89312.16 8825.71 o
-13 16 1 18589.87 21186.51 4610.50 o
-10 16 1 62246.97 79547.36 6702.41 o
-7 16 1 60291.45 71350.00 6094.53 o
-4 16 1 59141.67 76839.60 7631.51 o
-1 16 1 2139.33 2336.81 4458.85 o
2 16 1 6182.92 3454.30 6041.48 o
-15 17 1 15161.73 16613.00 4866.71 o
-12 17 1 7699.99 5628.35 4652.91 o
-9 17 1 313306.56 379169.31 34709.22 o
-6 17 1 21587.04 24758.65 4256.64 o
-3 17 1 141130.94 170308.56 12287.14 o
0 17 1 5049.34 1952.11 6221.67 o
-17 18 1 4096.93 2124.79 9348.21 o
-14 18 1 14941.57 18990.25 4891.74 o
-11 18 1 23901.66 29042.86 6005.61 o
-8 18 1 68554.06 80860.41 8301.53 o
-5 18 1 613.08 1204.59 4574.55 o
-2 18 1 83590.55 76320.67 10115.44 o
-13 19 1 16288.50 14909.85 5256.61 o
-10 19 1 44489.70 52819.75 9458.01 o
-7 19 1 5906.29 6156.33 5281.67 o
-4 19 1 125454.13 110298.30 10206.82 o
-12 20 1 3106.17 3535.57 8022.26 o
-9 20 1 6091.25 7451.87 6067.22 o
0 1 2 3608.96 5598.82 2981.99 o
-2 2 2 124685.71 104191.61 9458.23 o
1 2 2 116945.66 116107.69 4758.41 o
-4 3 2 23271.78 24122.72 4447.20 o
-1 3 2 46269.30 41023.39 3540.26 o
2 3 2 435871.69 440463.66 7243.78 o
-6 4 2 3804.45 4748.76 2454.65 o
-3 4 2 6876727.00 7772621.50 178593.73 o
0 4 2 287255.69 304840.84 6091.58 o
3 4 2 12981.98 12677.17 2198.84 o
-8 5 2 10821.53 9586.88 2358.79 o
-5 5 2 350117.53 346930.19 13750.43 o
-2 5 2 259054.28 250810.00 6408.40 o
1 5 2 29863.36 30916.05 2511.53 o
4 5 2 135755.83 130538.13 3118.77 o
-10 6 2 809.26 43.12 2164.76 o
-7 6 2 1833.37 2113.85 2747.37 o
-4 6 2 284542.75 250052.19 9911.20 o
-1 6 2 545.05 959.57 2341.62 o
2 6 2 3475856.00 3422429.75 25985.38 o
5 6 2 6925.74 6741.71 3087.01 o
-12 7 2 280565.25 289105.66 9570.89 o
-9 7 2 12917.76 14009.00 2452.60 o
-6 7 2 1037.40 2533.14 3057.13 o
-3 7 2 16248.33 15609.80 2952.98 o
0 7 2 56388.91 54639.92 2657.34 o
3 7 2 395684.56 368264.69 10043.11 o
6 7 2 30574.17 31467.69 2837.92 o
-14 8 2 9237.35 12260.54 3180.04 o
-11 8 2 955.37 219.77 3004.58 o
-8 8 2 1344.70 2459.41 3207.14 o
-5 8 2 50686.44 49588.77 3675.55 o
-2 8 2 25571.79 24741.08 2298.10 o
1 8 2 138663.89 129422.01 6084.78 o
4 8 2 8514.37 5642.64 3220.86 o
7 8 2 699298.50 747812.63 42261.36 o
-16 9 2 43345.80 47664.05 4223.57 o
-13 9 2 4105.93 3746.85 2528.62 o
-10 9 2 2050313.50 2114059.50 62619.29 o
-7 9 2 428248.94 419231.38 11744.12 o
-4 9 2 5850.48 6821.42 2249.91 o
-1 9 2 1183.03 2646.19 2016.22 o
2 9 2 66685.00 69453.31 3960.27 o
5 9 2 962.63 6010.98 3373.88 o
8 9 2 184376.67 194223.47 18170.44 o
-18 10 2 19820.10 16729.92 3588.40 o
-15 10 2 19078.74 17683.89 3337.91 o
-12 10 2 238097.25 244137.97 9621.27 o
-9 10 2 14244.92 14013.94 3415.09 o
-6 10 2 41196.78 38873.19 2816.11 o
-3 10 2 19549.08 19823.26 2371.72 o
0 10 2 101583.99 103588.00 6631.12 o
3 10 2 24084.58 27796.94 3078.61 o
6 10 2 16904.77 22044.08 3993.40 o
9 10 2 28141.36 31210.04 4650.22 o
-20 11 2 415.03 -801.42 9522.24 o
-17 11 2 6536.08 7384.68 3380.49 o
-14 11 2 2677.53 5976.61 2905.60 o
-11 11 2 202703.52 200207.72 11566.73 o
-8 11 2 5268.61 5200.88 2954.74 o
-5 11 2 2028991.38 2024244.63 51709.51 o
-2 11 2 160037.58 154839.67 8318.81 o
1 11 2 1527.31 2553.76 3042.14 o
4 11 2 3409.00 4909.26 3355.41 o
7 11 2 43080.26 53115.63 8247.06 o
-19 12 2 69073.71 68603.43 9030.76 o
-16 12 2 1881.26 2442.70 3183.02 o
-13 12 2 51858.57 52926.92 3369.31 o
-10 12 2 345.36 1371.55 2858.27 o
-7 12 2 67434.55 63145.67 3420.30 o
-4 12 2 142897.78 138201.55 4641.97 o
-1 12 2 76751.24 80879.63 5722.80 o
2 12 2 18146.69 18937.14 3429.96 o
5 12 2 57840.82 63173.90 6498.07 o
-18 13 2 826.80 183.19 4198.41 o
-15 13 2 45.51 -733.20 2861.43 o
-12 13 2 8116.85 12557.30 3015.03 o
-9 13 2 11952.30 11453.65 2668.86 o
-6 13 2 238660.81 223731.09 8151.86 o
-3 13 2 52.52 -406.19 2971.30 o
0 13 2 681350.63 730046.44 46823.50 o
3 13 2 8276.03 8611.21 3760.37 o
6 13 2 7299.63 2786.37 5177.59 o
-17 14 2 314239.88 313190.22 31914.19 o
-14 14 2 156149.16 163748.48 16286.43 o
-11 14 2 3701.61 2049.65 2805.64 o
-8 14 2 42984.38 47896.13 4874.13 o
-5 14 2 61362.52 69491.86 5407.56 o
-2 14 2 80.59 547.22 3335.99 o
1 14 2 146461.66 173392.80 16367.85 o
4 14 2 21402.90 20062.84 5285.96 o
-16 15 2 5851.56 2258.32 3817.82 o
-13 15 2 16437.92 17466.39 3949.80 o
-10 15 2 2066.32 2967.14 3006.03 o
-7 15 2 898.93 5566.42 2811.34 o
-4 15 2 20873.63 20967.29 3674.18 o
-1 15 2 79667.58 90584.06 8319.26 o
2 15 2 16236.03 20759.25 5552.09 o
-18 16 2 38170.59 28061.32 6041.98 o
-15 16 2 7433.91 4255.73 3541.54 o
-12 16 2 510571.03 564033.81 43694.89 o
-9 16 2 139318.98 163087.56 12238.36 o
-6 16 2 2464.17 1997.30 3344.94 o
-3 16 2 13426.03 18682.03 3599.14 o
0 16 2 92749.80 117910.99 11005.51 o
-17 17 2 8741.27 4011.19 5980.50 o
-14 17 2 29477.31 23457.30 4849.11 o
-11 17 2 5896.90 6228.20 3707.68 o
-8 17 2 41085.45 49781.55 5658.53 o
-5 17 2 4410.30 7816.73 3924.07 o
-2 17 2 1628.90 -1502.09 4505.07 o
-16 18 2 2820.50 4126.64 5706.97 o
-13 18 2 101281.79 115594.85 12374.20 o
-10 18 2 10060.68 12804.58 4952.02 o
-7 18 2 296268.28 361960.75 37695.51 o
-4 18 2 45369.16 47732.16 5937.76 o
-15 19 2 65845.91 47151.01 7393.15 o
-12 19 2 6019.63 5124.41 5000.93 o
-9 19 2 184.66 3552.56 5082.41 o
-6 19 2 31777.62 28796.37 6138.70 o
-11 20 2 15715.31 -4865.90 10422.01 o
0 0 3 332322.28 357099.66 11111.01 o
1 1 3 313391.56 295379.84 8196.21 o
-1 2 3 332433.84 327778.06 6226.62 o
2 2 3 20396.17 20610.25 4601.20 o
-3 3 3 56833.87 56065.36 4775.35 o
0 3 3 25272.12 27813.71 4514.35 o
3 3 3 77809.78 76832.90 3718.99 o
-5 4 3 124.10 368.32 3112.83 o
-2 4 3 119617.37 120450.54 4946.06 o
1 4 3 79213.03 79727.42 3820.09 o
4 4 3 197879.14 193260.97 5488.41 o
-7 5 3 241197.16 235207.50 4675.26 o
-4 5 3 161308.33 156004.27 4513.44 o
-1 5 3 12391.58 12899.25 3756.97 o
2 5 3 23656.45 25535.44 2860.13 o
5 5 3 41.71 -235.65 2469.92 o
-9 6 3 431428.66 393252.50 8641.99 o
-6 6 3 22045.84 21058.88 3351.31 o
-3 6 3 20.58 562.63 3542.66 o
0 6 3 133844.63 133520.50 4198.38 o
3 6 3 83353.49 80990.47 2507.58 o
6 6 3 49008.68 47420.96 3180.64 o
-11 7 3 48162.78 42135.96 2954.46 o
-8 7 3 475398.94 448859.88 12349.29 o
-5 7 3 22664.40 24125.40 3195.45 o
-2 7 3 247070.69 234868.92 4761.82 o
1 7 3 13603.15 16673.20 2741.16 o
4 7 3 38727.85 37927.69 3244.18 o
7 7 3 538.05 2710.55 2941.22 o
-13 8 3 3791.69 3538.57 2484.88 o
-10 8 3 13742.92 13622.83 3170.64 o
-7 8 3 70894.76 64805.14 3923.90 o
-4 8 3 199253.86 188842.63 4857.60 o
-1 8 3 285876.81 263001.03 14306.67 o
2 8 3 105526.14 108285.13 4272.39 o
5 8 3 103036.86 99553.88 4339.03 o
8 8 3 9568.64 8035.35 2983.36 o
-15 9 3 54855.31 58396.72 3641.79 o
-12 9 3 38966.46 36184.73 2701.99 o
-9 9 3 4234.20 3250.53 3377.81 o
-6 9 3 69650.55 69217.73 4478.67 o
-3 9 3 577700.13 532334.00 14697.00 o
0 9 3 471.01 947.91 2503.86 o
3 9 3 229966.08 217358.02 12002.00 o
6 9 3 24205.37 27269.23 3281.89 o
9 9 3 84073.59 90371.63 9080.12 o
-17 10 3 4476.49 5408.63 3678.86 o
-14 10 3 161570.50 159608.69 3725.57 o
-11 10 3 51994.57 48026.10 5780.29 o
-8 10 3 2125.71 2427.27 3793.05 o
-5 10 3 1336.49 3255.15 3568.70 o
-2 10 3 66240.33 59225.31 4269.61 o
1 10 3 15642.03 12987.75 2916.94 o
4 10 3 267996.13 267794.81 18130.63 o
7 10 3 70945.63 79286.79 8763.44 o
-19 11 3 9208.47 8263.69 4252.37 o
-16 11 3 184059.50 196936.39 7754.45 o
-13 11 3 37088.61 40183.28 3402.58 o
-10 11 3 133.15 2058.25 2823.65 o
-7 11 3 40.60 2026.07 3861.44 o
-4 11 3 5220.60 4622.85 3537.98 o
-1 11 3 62991.43 58637.57 3777.09 o
2 11 3 231479.81 245051.91 22590.44 o
5 11 3 25231.20 31068.91 3936.00 o
8 11 3 140924.03 141165.23 18104.23 o
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