#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2210807.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_2210807_Fobs
loop_
_publ_author_name
'Han, Qiu-Xia'
'Wang, Jing-Ping'
'Song, Li-Hua'
_publ_section_title
;
 K~2~NaH[GeW~12~O~40~]·7H~2~O, with a Keggin-type
 heteropolyoxoanion
;
_journal_coeditor_code           WM2028
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i201
_journal_page_last               i203
_journal_volume                  62
_journal_year                    2006
_space_group_IT_number           180
_symmetry_space_group_name_Hall  'P 62 2 (0 0 4)'
_symmetry_space_group_name_H-M   'P 62 2 2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   19.0570
_cell_length_b                   19.0570
_cell_length_c                   12.5570
_exptl_crystal_F_000             4087.00
_reflns_d_resolution_high        0.8394
_[local]_cod_data_source_file    wm2028Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' njy1                   R   0.05  P6222'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            1050.60
_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, x, z+1/3'
'-y, x-y, z+2/3'
'-x, -y, z'
'-x+y, -x, z+1/3'
'y, -x+y, z+2/3'
'-y, -x, -z+2/3'
'x-y, -y, -z'
'x, x-y, -z+1/3'
'y, x, -z+2/3'
'-x+y, y, -z'
'-x, -x+y, -z+1/3'
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 118927.70 59843.23 18745.76 o
-1 3 0 33979.82 23301.78 3134.87 o
-2 4 0 538291.75 403537.56 37283.03 o
-1 4 0 61460.71 52971.32 2840.48 o
0 4 0 420211.94 413464.25 16649.06 o
-2 5 0 368.37 4116.95 1049.03 o
-1 5 0 16393.53 17895.71 2404.69 o
0 5 0 481184.66 504512.25 11372.35 o
-3 6 0 469067.50 467661.88 11985.81 o
-2 6 0 18870.23 24923.03 1726.45 o
0 6 0 93585.59 102526.12 2123.35 o
-3 7 0 361533.91 333590.78 12277.25 o
-2 7 0 909.97 973.70 1092.52 o
-1 7 0 253801.48 240810.06 10716.29 o
0 7 0 806796.06 715540.81 11118.89 o
-4 8 0 43319.84 41304.80 2655.47 o
-3 8 0 348237.00 319895.88 18645.61 o
-2 8 0 116399.74 110950.96 4725.78 o
-1 8 0 389687.72 364695.44 11369.87 o
0 8 0 46769.14 49758.82 1885.06 o
-4 9 0 254114.22 230212.22 17435.84 o
-3 9 0 69105.34 71556.52 2984.28 o
-2 9 0 45620.00 49115.59 2712.98 o
0 9 0 8864.84 5067.69 1731.43 o
-5 10 0 6977.65 16785.98 2852.65 o
-4 10 0 33618.16 40197.19 1639.17 o
-3 10 0 343973.31 346685.19 13996.54 o
-2 10 0 59898.31 66351.47 2997.64 o
-1 10 0 27230.82 25826.84 4340.78 o
0 10 0 49728.46 37158.79 6255.21 o
-4 11 0 218309.55 224192.08 4302.24 o
-3 11 0 1037134.06 965681.00 45719.42 o
-2 11 0 251410.89 272335.28 12973.58 o
-1 11 0 93001.18 94110.64 3388.76 o
0 11 0 110700.34 113478.55 7858.77 o
-6 12 0 75101.25 80475.25 4585.64 o
-5 12 0 11920.54 13486.28 1536.22 o
-4 12 0 35.04 1111.35 1679.62 o
-3 12 0 108483.06 111251.73 5279.76 o
-2 12 0 15986.30 16707.14 1726.91 o
-1 12 0 14028.58 15830.06 1185.55 o
0 12 0 4.24 271.73 3874.59 o
-6 13 0 8088.06 12368.32 1792.72 o
-5 13 0 21485.58 20918.17 1805.51 o
-4 13 0 14564.26 15221.55 1360.94 o
-3 13 0 84985.55 91855.04 3630.23 o
-2 13 0 85118.09 85762.90 2568.25 o
-1 13 0 278308.31 311166.63 13108.65 o
0 13 0 249482.77 268550.31 19647.46 o
-7 14 0 480323.56 534935.88 32728.17 o
-6 14 0 688.15 2237.89 1392.34 o
-5 14 0 40357.66 43738.29 1688.03 o
-4 14 0 83170.47 80359.59 2971.95 o
-3 14 0 5449.51 7291.19 1619.88 o
-2 14 0 32525.68 34476.86 1800.46 o
-1 14 0 41305.75 42878.37 2873.30 o
0 14 0 1030502.19 1084795.50 62695.48 o
-7 15 0 425030.41 483973.00 25914.70 o
-6 15 0 7092.08 10043.90 1291.06 o
-5 15 0 5311.04 5025.31 1604.06 o
-4 15 0 1508.62 3277.28 1424.09 o
-3 15 0 9972.00 9986.93 1771.98 o
-2 15 0 24540.16 23588.01 1402.34 o
-1 15 0 257013.00 267085.66 8960.74 o
0 15 0 298746.28 318213.00 19706.60 o
-8 16 0 1103761.13 1237826.75 65618.33 o
-7 16 0 24531.91 24914.78 2095.28 o
-6 16 0 63461.24 68523.45 2553.18 o
-5 16 0 1031.10 635.67 1646.54 o
-4 16 0 50913.50 53590.02 2901.57 o
-3 16 0 130435.22 121468.55 3337.45 o
-2 16 0 82986.68 119070.22 17594.18 o
-1 16 0 83754.59 90319.21 5536.96 o
0 16 0 51511.91 56895.47 4605.95 o
-8 17 0 208.01 805.78 1150.45 o
-7 17 0 223380.33 235545.72 6138.06 o
-6 17 0 125118.32 123683.60 6341.51 o
-5 17 0 219.16 633.63 2363.76 o
-4 17 0 6.87 0.00 999.67 o
-3 17 0 22044.09 22478.64 1919.63 o
-2 17 0 24607.51 21768.38 3748.85 o
-1 17 0 526.79 5425.33 2700.65 o
0 17 0 17295.09 22761.29 13897.61 o
-9 18 0 350515.09 373910.13 32990.53 o
-8 18 0 118695.53 117539.13 3696.61 o
-7 18 0 40257.63 39797.25 2589.67 o
-6 18 0 19707.38 22399.22 1544.84 o
-5 18 0 2415.27 4563.50 1748.53 o
-4 18 0 33631.67 34370.16 2603.36 o
-3 18 0 11153.36 11266.91 3253.13 o
-2 18 0 82784.99 83673.41 5340.37 o
-1 18 0 8385.13 11491.00 4654.47 o
0 18 0 15439.88 17355.66 8437.84 o
-9 19 0 2357.35 3047.23 1726.45 o
-8 19 0 105488.08 100327.91 3803.00 o
-7 19 0 15.58 1729.29 1904.28 o
-6 19 0 11635.11 11274.23 1913.10 o
-5 19 0 112077.52 106997.39 3672.34 o
-4 19 0 4250.05 4641.94 1716.11 o
-3 19 0 68365.73 53261.50 17551.38 o
-2 19 0 35196.68 33912.13 3484.05 o
-1 19 0 20253.98 25147.99 3385.96 o
0 19 0 235287.02 268785.25 13320.89 o
-10 20 0 34093.38 33640.59 3053.23 o
-9 20 0 6891.92 8392.09 1845.76 o
-8 20 0 89805.55 92182.20 6019.52 o
-7 20 0 7000.07 6335.69 1596.15 o
-6 20 0 6002.74 10121.01 2059.40 o
-5 20 0 95814.48 86123.96 3597.65 o
-4 20 0 1805.58 3815.19 2484.19 o
-3 20 0 11952.55 30575.11 8792.00 o
-2 20 0 187.74 2771.54 2500.75 o
-1 20 0 93028.05 104237.93 5758.93 o
-10 21 0 13645.47 12037.04 3090.30 o
-9 21 0 3390.74 3474.96 2125.35 o
-8 21 0 18606.59 18512.94 1997.00 o
-7 21 0 99643.44 95260.36 4967.19 o
-6 21 0 112358.96 103325.14 7624.51 o
-5 21 0 85396.23 79867.98 9873.96 o
-4 21 0 71793.88 74663.27 6089.48 o
-11 22 0 185445.22 178352.72 7776.05 o
-10 22 0 378.61 3709.96 2948.65 o
-9 22 0 17973.22 20446.48 2597.80 o
-8 22 0 3355.31 4068.66 1911.84 o
-7 22 0 140483.92 146337.94 15656.91 o
-2 3 1 22757.58 22633.69 717.77 o
-1 3 1 23325.95 22239.26 926.89 o
0 3 1 174013.17 156445.23 4392.24 o
-3 4 1 104551.45 91047.53 1533.83 o
-2 4 1 115344.77 109110.08 2379.62 o
-1 4 1 105166.19 91699.67 4938.90 o
0 4 1 19124.45 27611.62 2084.07 o
-1 5 1 7302.35 9833.42 1382.56 o
0 5 1 26135.87 28229.97 1473.51 o
-5 6 1 48841.74 47051.05 3080.13 o
-1 6 1 49305.53 45683.97 1474.52 o
0 6 1 188514.25 195339.42 5862.29 o
-6 7 1 149819.23 145899.17 9302.79 o
-5 7 1 117000.58 120736.78 8860.55 o
-4 7 1 68498.95 65243.51 2980.46 o
-3 7 1 68769.65 70149.16 2096.40 o
-2 7 1 117971.82 117353.17 3605.42 o
-1 7 1 149043.20 139498.17 5721.93 o
0 7 1 8164.43 12011.44 996.42 o
-7 8 1 44908.26 37362.92 2939.17 o
-6 8 1 5063.82 8113.33 997.92 o
-5 8 1 23716.75 20750.85 1573.01 o
-4 8 1 212083.05 229887.77 12355.83 o
-3 8 1 24557.81 22827.84 1866.26 o
-2 8 1 5367.91 8611.40 1112.28 o
-1 8 1 45762.24 42911.71 1207.09 o
0 8 1 27336.17 31749.48 1430.89 o
-8 9 1 27474.21 25693.93 1361.44 o
-7 9 1 7342.53 5628.63 1651.95 o
-6 9 1 12287.05 15447.95 770.65 o
-5 9 1 74416.20 77708.79 5447.56 o
-4 9 1 72802.65 75558.33 2091.71 o
-3 9 1 12057.58 15812.99 1368.82 o
-2 9 1 7334.89 8926.47 1046.91 o
-1 9 1 26928.59 25157.67 1557.95 o
0 9 1 5626.73 5214.27 1529.02 o
-9 10 1 82792.97 83947.18 9803.74 o
-8 10 1 155490.42 143106.66 4638.43 o
-7 10 1 269608.38 257009.47 5343.72 o
-6 10 1 34918.53 35938.22 1374.20 o
-5 10 1 52771.18 60192.98 3206.69 o
-4 10 1 35119.36 34534.45 2259.06 o
-3 10 1 267252.34 255644.28 21818.96 o
-2 10 1 153776.55 156378.50 3164.74 o
-1 10 1 82743.68 82501.88 2063.30 o
0 10 1 93613.79 95995.38 2863.16 o
-10 11 1 36375.00 34296.89 2186.31 o
-9 11 1 6652.28 9472.78 1171.70 o
-8 11 1 165960.00 162755.67 5629.98 o
-7 11 1 50533.09 51443.80 1702.57 o
-6 11 1 50366.85 51530.63 2181.77 o
-5 11 1 50084.89 51318.94 2121.59 o
-4 11 1 50016.37 50870.59 2748.97 o
-3 11 1 165895.20 164140.00 3265.56 o
-2 11 1 6887.20 9107.75 1305.65 o
-1 11 1 36267.96 36077.02 1791.99 o
0 11 1 1806.28 1563.59 1514.65 o
-11 12 1 61851.23 68599.62 2799.31 o
-10 12 1 13471.53 13595.94 1844.78 o
-9 12 1 140397.63 134863.53 2232.05 o
-8 12 1 51547.08 57941.68 1800.09 o
-7 12 1 13537.06 16417.85 1162.88 o
-6 12 1 5795.40 7932.57 1284.92 o
-5 12 1 13305.54 44034.01 17321.20 o
-4 12 1 51488.11 57747.77 2210.55 o
-3 12 1 139947.08 138736.00 3035.16 o
-2 12 1 13907.04 13770.22 1122.19 o
-1 12 1 61511.93 64031.26 2675.55 o
0 12 1 26273.88 27158.13 1682.89 o
-12 13 1 57684.36 62052.30 2984.28 o
-11 13 1 12416.33 15132.95 1667.11 o
-10 13 1 47610.26 47491.55 2398.14 o
-9 13 1 30341.00 30662.74 1291.24 o
-8 13 1 12087.97 13005.93 1640.12 o
-7 13 1 24371.42 27719.07 2466.35 o
-6 13 1 24090.64 27016.53 2101.49 o
-5 13 1 12085.93 13880.36 1489.13 o
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-2 13 1 12110.35 12316.20 1397.41 o
-1 13 1 57172.16 62655.20 2939.04 o
0 13 1 181323.25 193980.34 14353.08 o
-13 14 1 199533.52 200767.92 9285.81 o
-12 14 1 5661.14 4830.47 2015.61 o
-11 14 1 940.59 3840.76 1735.68 o
-10 14 1 25293.87 25757.58 1887.71 o
-9 14 1 4657.82 7978.65 2408.73 o
-8 14 1 163851.41 161502.63 7353.54 o
-7 14 1 10260.18 10740.02 1436.66 o
-6 14 1 164220.23 201302.59 27350.03 o
-5 14 1 4525.93 7210.15 1782.99 o
-4 14 1 24834.35 24998.02 1745.58 o
-3 14 1 844.12 2541.70 1722.92 o
-2 14 1 5632.57 7450.39 1571.00 o
-1 14 1 199875.16 227634.30 17363.10 o
0 14 1 6731.63 9559.01 1894.00 o
-14 15 1 33804.23 35840.69 2417.02 o
-13 15 1 103446.21 107272.60 5163.98 o
-12 15 1 36356.89 42056.64 2196.13 o
-11 15 1 125427.50 124670.56 4401.59 o
-10 15 1 14102.41 13708.79 1886.83 o
-9 15 1 4775.24 6683.08 1304.54 o
-8 15 1 78321.03 82425.28 3341.90 o
-7 15 1 78665.16 75494.53 4049.64 o
-6 15 1 4701.92 5726.56 1801.93 o
-5 15 1 13728.73 15339.92 2456.63 o
-4 15 1 123780.88 133794.97 3012.03 o
-3 15 1 36691.69 39944.37 2579.49 o
-2 15 1 103031.49 115821.41 8966.37 o
-1 15 1 33834.10 38398.51 4340.78 o
0 15 1 7956.98 11668.26 2362.94 o
-15 16 1 109297.57 114437.54 9039.17 o
-14 16 1 15597.80 18178.24 2188.84 o
-13 16 1 11105.17 11454.59 1765.80 o
-12 16 1 75027.29 71202.06 2216.07 o
-11 16 1 60189.09 61916.71 2652.08 o
-10 16 1 76034.53 86670.20 3571.23 o
-9 16 1 60357.34 69643.87 2831.56 o
-8 16 1 20175.91 23093.78 1881.86 o
-7 16 1 60490.85 63332.68 1791.07 o
-6 16 1 76405.94 85608.34 3613.20 o
-5 16 1 59942.49 64770.57 2836.30 o
-4 16 1 75122.93 76977.21 3529.25 o
-3 16 1 10961.28 12863.51 2775.23 o
-2 16 1 15536.95 17767.04 1948.42 o
-1 16 1 109056.45 122615.56 6338.52 o
0 16 1 667.85 1017.67 2443.70 o
-16 17 1 22201.39 26734.17 3048.08 o
-15 17 1 89430.70 98788.30 6597.49 o
-14 17 1 33301.00 32904.49 2156.86 o
-13 17 1 17108.64 18814.21 1738.78 o
-12 17 1 16472.18 16527.66 1804.10 o
-11 17 1 2144.20 5233.31 1993.75 o
-10 17 1 116735.95 118070.76 5416.04 o
-9 17 1 84123.62 85472.11 4661.96 o
-8 17 1 83636.99 85964.58 4363.29 o
-7 17 1 117015.21 123276.31 4624.41 o
-6 17 1 2015.77 4413.64 1430.39 o
-5 17 1 16273.18 18392.17 1638.45 o
-4 17 1 17224.84 19278.71 1319.50 o
-3 17 1 33389.80 30893.45 2201.80 o
-2 17 1 90703.62 106747.52 7140.08 o
-1 17 1 22155.56 25881.29 2833.52 o
0 17 1 142702.56 155232.84 9252.81 o
-17 18 1 15359.15 16627.47 2519.89 o
-16 18 1 22669.27 22982.77 2663.43 o
-15 18 1 16190.25 15655.73 2588.83 o
-14 18 1 6158.86 6611.67 1964.57 o
-13 18 1 26803.83 24642.75 1886.06 o
-12 18 1 66124.77 64319.30 2911.04 o
-11 18 1 7171.88 9130.38 2195.36 o
-10 18 1 131249.08 141980.16 4316.11 o
-9 18 1 57040.55 58900.35 3304.91 o
-8 18 1 131474.94 133579.77 4537.26 o
-7 18 1 6952.48 9010.24 1258.19 o
-6 18 1 66025.77 67741.62 6141.21 o
-5 18 1 27366.02 33442.60 4742.00 o
-4 18 1 6346.47 7300.22 2000.80 o
-3 18 1 15667.05 17469.40 2947.29 o
-2 18 1 22766.20 21811.77 2937.28 o
-1 18 1 14906.98 17499.13 3403.82 o
0 18 1 40781.25 37223.07 3066.55 o
-18 19 1 29799.62 31100.42 4010.81 o
-17 19 1 14169.96 12471.19 3331.30 o
-16 19 1 55065.93 45328.61 12012.74 o
-15 19 1 48312.06 40546.54 2439.26 o
-14 19 1 9254.19 8597.60 2783.08 o
-13 19 1 5880.94 5542.32 1328.26 o
-12 19 1 2863.71 4093.47 1666.75 o
-11 19 1 55906.49 57550.32 2668.69 o
-10 19 1 34067.88 34084.48 2441.35 o
-9 19 1 34319.56 36221.79 2612.65 o
-8 19 1 56678.36 56849.64 4953.33 o
-7 19 1 2655.01 3786.54 1359.02 o
-6 19 1 5782.86 7524.17 1481.27 o
-5 19 1 9160.20 11819.00 2474.50 o
-4 19 1 47942.95 47428.45 7527.90 o
-3 19 1 55276.11 50989.16 2898.20 o
-2 19 1 13559.92 14332.43 2143.86 o
-1 19 1 29786.17 31134.74 2501.32 o
0 19 1 27564.53 30283.66 3267.91 o
-19 20 1 27654.13 26476.46 2504.66 o
-18 20 1 14045.81 15486.26 2819.20 o
-17 20 1 14140.07 15652.80 3144.10 o
-16 20 1 22461.59 21498.46 2324.47 o
-15 20 1 5061.91 6072.78 2604.08 o
-14 20 1 63955.32 61160.29 4560.82 o
-13 20 1 29933.59 29961.42 2507.43 o
-12 20 1 7099.45 11440.82 4210.13 o
-11 20 1 13086.84 13796.71 2074.44 o
-10 20 1 99241.87 101144.05 5232.73 o
-9 20 1 12825.64 15089.06 2084.07 o
-8 20 1 7390.99 8301.16 1165.64 o
-7 20 1 30075.96 25720.05 2374.88 o
-6 20 1 64138.42 63061.12 4464.54 o
-5 20 1 4721.37 4442.97 1454.30 o
-4 20 1 22499.54 21841.46 3438.09 o
-3 20 1 13903.07 17819.68 2930.11 o
-2 20 1 14257.92 16229.92 2674.60 o
-1 20 1 27502.42 33431.98 3061.44 o
-17 21 1 8759.81 11185.36 3059.33 o
-16 21 1 62142.63 71753.95 4537.12 o
-15 21 1 182613.42 216671.41 44709.04 o
-14 21 1 23709.10 25126.98 3268.87 o
-13 21 1 13746.53 15794.50 3136.46 o
-12 21 1 9848.13 9695.01 3491.24 o
-11 21 1 23204.14 26043.39 3269.37 o
-10 21 1 23154.15 24566.99 5540.24 o
-9 21 1 9854.19 11140.22 4130.67 o
-8 21 1 13738.86 14865.44 4139.76 o
-7 21 1 23591.98 25196.77 2522.57 o
-6 21 1 182606.52 198625.63 12318.14 o
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-15 22 1 13614.83 11751.82 3392.18 o
-14 22 1 3875.35 3949.21 2217.90 o
-13 22 1 18790.91 25295.13 2930.26 o
-12 22 1 1905.82 3428.89 2305.05 o
-11 22 1 68455.27 69051.81 5182.03 o
-10 22 1 1931.46 5061.52 2177.48 o
-9 22 1 19375.72 19274.74 3933.83 o
-8 22 1 3798.76 5621.62 1951.92 o
-7 22 1 13900.33 15188.13 3210.11 o
0 1 2 61979.89 63315.27 576.18 o
-1 2 2 179028.77 162737.69 3329.57 o
-2 3 2 6832.28 8240.75 545.31 o
-1 3 2 6715.17 7986.19 634.59 o
0 3 2 459.33 2867.76 863.22 o
-3 4 2 277155.94 257515.95 3983.68 o
-2 4 2 201548.81 171674.02 5984.17 o
-1 4 2 275346.38 255265.77 3196.93 o
0 4 2 376010.91 393462.88 8344.42 o
-4 5 2 492707.19 495583.09 9332.79 o
-3 5 2 694537.13 617954.44 14253.43 o
-2 5 2 696180.38 632393.06 8883.50 o
-1 5 2 493627.66 475256.66 11062.75 o
-5 6 2 298970.13 262029.14 2610.06 o
-4 6 2 399114.91 370418.16 4786.90 o
-3 6 2 63232.55 74656.38 1689.45 o
-2 6 2 399460.63 378304.00 10237.63 o
-1 6 2 298097.84 257054.20 5294.95 o
0 6 2 75537.95 73096.02 1536.71 o
-6 7 2 484.95 1646.53 1492.14 o
-5 7 2 123382.23 108485.88 5401.31 o
-4 7 2 29150.95 31508.62 1343.73 o
-3 7 2 28947.09 32169.41 920.22 o
-2 7 2 127414.06 113301.92 3674.86 o
-1 7 2 607.32 3006.34 1198.44 o
-7 8 2 91035.90 93311.36 10469.66 o
-6 8 2 3537.19 7182.11 1577.69 o
-5 8 2 49315.63 60455.41 2449.32 o
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