#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2012743.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_2012743_Fobs
loop_
_publ_author_name
'Duraisamy, Thirumalai'
'Lachgar, Abdessadek'
_publ_section_title
;
 K~2~SrNb~6~Cl~18~, dipotassium strontium hexaniobium octadecachloride
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i85
_journal_page_last               i86
_journal_volume                  58
_journal_year                    2002
_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                   9.3025
_cell_length_b                   9.3025
_cell_length_c                   25.9412
_exptl_crystal_F_000             1884.00
_reflns_d_resolution_high        0.7063
_[local]_cod_data_source_file    br1367Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' k2sr in R-3'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            802.94
_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 3473.30 3848.79 171.79 o
0 3 0 3745.41 3863.55 228.37 o
-2 4 0 19287.39 17942.46 524.32 o
-4 5 0 225.37 577.63 171.95 o
-1 5 0 644708.81 632438.88 7178.26 o
-3 6 0 148.24 177.00 184.13 o
0 6 0 56274.55 57632.70 993.44 o
-5 7 0 1675.40 2041.03 268.71 o
-2 7 0 40502.04 40643.36 640.20 o
-7 8 0 6055.60 5755.49 542.30 o
-4 8 0 4915.74 4865.87 480.18 o
-1 8 0 3286.06 3696.90 386.04 o
-6 9 0 66572.71 67261.16 1928.20 o
-3 9 0 10059.21 10044.03 536.64 o
0 9 0 5726.45 6168.17 481.98 o
-8 10 0 2788.12 2838.70 336.21 o
-5 10 0 7116.35 7699.21 564.57 o
-2 10 0 21098.91 19939.63 681.96 o
-10 11 0 1617.23 1713.41 570.99 o
-7 11 0 47691.24 49148.07 1234.23 o
-4 11 0 559.76 807.36 301.06 o
-1 11 0 31597.36 32075.35 911.58 o
-9 12 0 185.59 563.46 369.81 o
-6 12 0 7311.26 7424.19 689.87 o
-3 12 0 12892.18 13421.91 746.85 o
-8 13 0 101.25 481.22 447.55 o
-5 13 0 7156.03 7784.81 927.64 o
-1 1 1 82465.23 89829.00 1473.36 o
-3 2 1 73420.36 72447.79 1236.21 o
0 2 1 23489.70 22354.88 387.34 o
-5 3 1 3095.60 3179.96 404.88 o
-2 3 1 19720.37 19620.87 509.83 o
1 3 1 64428.15 63010.58 698.17 o
-7 4 1 10537.31 10762.36 753.13 o
-4 4 1 4197.98 4591.26 338.52 o
-1 4 1 76617.81 74319.69 785.95 o
2 4 1 9111.40 9025.09 548.31 o
-9 5 1 20667.13 20674.11 806.89 o
-6 5 1 172543.91 169815.30 1434.60 o
-3 5 1 58384.36 59358.77 857.67 o
0 5 1 136419.41 135644.16 1209.65 o
3 5 1 96977.84 96157.38 1262.38 o
-11 6 1 45.76 -172.13 369.95 o
-8 6 1 6431.25 6403.03 641.34 o
-5 6 1 1390.10 1270.39 367.30 o
-2 6 1 30357.91 31030.36 1278.40 o
1 6 1 8890.71 8538.27 666.79 o
4 6 1 80775.58 79914.63 1971.80 o
-13 7 1 20866.17 20456.68 1135.05 o
-10 7 1 7307.50 7967.69 762.83 o
-7 7 1 2057.85 2915.98 344.87 o
-4 7 1 56608.28 59402.80 1825.11 o
-1 7 1 5054.85 5219.73 870.06 o
2 7 1 4468.93 4344.24 658.19 o
5 7 1 6118.99 5654.63 1171.94 o
-12 8 1 9057.67 9728.85 921.85 o
-9 8 1 18663.13 17983.09 1276.39 o
-6 8 1 24523.25 26753.75 1813.27 o
-3 8 1 202.60 856.91 325.15 o
0 8 1 27439.80 26192.94 1250.02 o
3 8 1 721.58 664.14 392.34 o
-11 9 1 27373.46 30249.53 1742.05 o
-8 9 1 47329.40 47310.29 2424.52 o
-5 9 1 5223.86 5984.76 749.63 o
-2 9 1 58255.63 60717.39 1215.27 o
1 9 1 1609.69 879.38 603.64 o
-10 10 1 2679.29 2946.13 438.50 o
-7 10 1 15111.77 16376.81 3131.08 o
-4 10 1 35171.93 36567.17 1591.29 o
-1 10 1 30749.76 28489.45 1677.37 o
2 10 1 32239.32 32059.99 1315.63 o
-9 11 1 14209.56 13547.89 1206.94 o
-6 11 1 5575.03 5917.05 921.51 o
-3 11 1 2056.40 2179.00 583.24 o
0 11 1 242.71 891.64 459.24 o
-8 12 1 17595.95 17112.57 1862.74 o
-5 12 1 16253.00 19302.70 1182.70 o
-2 12 1 8566.95 9743.23 1087.46 o
0 1 2 136298.77 140846.31 2450.94 o
-2 2 2 16980.73 17533.78 482.30 o
1 2 2 19929.24 20036.29 775.05 o
-4 3 2 7174.58 7485.57 396.03 o
-1 3 2 19768.35 18448.10 439.97 o
2 3 2 92.72 35.15 206.40 o
-6 4 2 6166.00 7674.35 989.00 o
-3 4 2 127806.14 129809.78 1107.77 o
0 4 2 52796.63 50559.50 871.64 o
3 4 2 17742.01 18185.00 672.54 o
-8 5 2 872.22 1709.02 847.54 o
-5 5 2 121369.55 123204.49 2529.32 o
-2 5 2 11962.26 11818.31 545.11 o
1 5 2 9211.52 8755.76 672.34 o
4 5 2 1748.22 1453.99 330.66 o
-10 6 2 1953.32 1961.32 422.72 o
-7 6 2 20799.41 20610.11 764.29 o
-4 6 2 5146.64 4920.65 637.59 o
-1 6 2 114357.69 114568.35 3300.90 o
2 6 2 19777.05 20070.26 763.21 o
5 6 2 12527.09 12008.39 864.55 o
-12 7 2 60.55 884.54 413.00 o
-9 7 2 205.73 -330.48 330.48 o
-6 7 2 8667.98 10862.69 1964.29 o
-3 7 2 4446.91 4937.64 626.66 o
0 7 2 4032.70 4698.67 1031.78 o
3 7 2 10522.12 9993.33 788.91 o
6 7 2 1866.27 2389.83 668.86 o
-11 8 2 453.82 565.75 397.52 o
-8 8 2 30016.58 30260.63 761.74 o
-5 8 2 4375.77 4301.46 1009.57 o
-2 8 2 10204.95 10576.58 1820.94 o
1 8 2 226.54 -179.13 341.01 o
4 8 2 8758.12 7028.42 893.95 o
-10 9 2 12248.76 12200.69 882.80 o
-7 9 2 22665.08 21867.34 1095.69 o
-4 9 2 35627.14 36980.38 1258.79 o
-1 9 2 31.59 152.87 521.34 o
2 9 2 6448.06 4948.84 708.27 o
-12 10 2 25652.62 26575.60 1201.02 o
-9 10 2 9151.07 10848.74 1047.12 o
-6 10 2 61822.46 69065.42 1445.56 o
-3 10 2 49323.05 50858.59 1273.68 o
0 10 2 771.71 533.47 759.88 o
-11 11 2 6165.55 6799.75 648.00 o
-8 11 2 10042.32 9663.16 1068.93 o
-5 11 2 199.45 376.13 429.23 o
-2 11 2 22808.75 23134.51 1163.22 o
-10 12 2 24.55 33.26 694.49 o
-7 12 2 28840.66 32020.88 1338.37 o
-4 12 2 310.18 -480.59 480.59 o
0 0 3 106838.01 119209.09 626.38 o
1 1 3 7162.37 7496.25 314.85 o
-1 2 3 93022.25 92861.72 955.29 o
2 2 3 316.07 495.75 413.47 o
-3 3 3 179663.91 179602.02 1903.21 o
0 3 3 32666.45 32710.48 815.76 o
3 3 3 7108.02 7085.17 526.18 o
-5 4 3 22414.12 22279.64 628.56 o
-2 4 3 162104.89 155970.91 2970.58 o
1 4 3 12917.60 12705.71 521.10 o
4 4 3 105714.34 101238.01 1287.29 o
-7 5 3 8446.60 7295.71 644.15 o
-4 5 3 34379.61 36302.89 791.34 o
-1 5 3 10507.36 10414.94 504.07 o
2 5 3 110144.70 106732.70 1580.57 o
5 5 3 26.71 -14.94 331.49 o
-9 6 3 295.69 -59.07 319.57 o
-6 6 3 38.66 33.81 239.99 o
-3 6 3 1151.52 1485.96 311.46 o
0 6 3 10899.82 11979.04 650.59 o
3 6 3 787.07 898.46 327.93 o
6 6 3 6443.25 7126.28 877.23 o
-11 7 3 7248.14 7168.88 801.41 o
-8 7 3 26287.42 27658.24 885.20 o
-5 7 3 2497.10 2464.11 530.25 o
-2 7 3 412.57 311.29 500.97 o
1 7 3 2681.43 2216.41 363.60 o
4 7 3 8183.20 6992.70 854.42 o
-13 8 3 60733.81 63122.06 1601.19 o
-10 8 3 2169.56 2557.27 492.30 o
-7 8 3 1792.92 1409.16 419.00 o
-4 8 3 5262.21 6663.87 1857.66 o
-1 8 3 17422.60 18983.43 777.97 o
2 8 3 3758.42 3505.47 715.90 o
5 8 3 24.83 -328.74 449.69 o
-12 9 3 32.55 232.51 558.57 o
-9 9 3 84216.21 84247.74 1164.25 o
-6 9 3 585.57 -329.21 390.96 o
-3 9 3 31693.83 32488.06 1192.00 o
0 9 3 1006.93 1277.75 523.41 o
3 9 3 20505.27 20978.63 1102.90 o
-11 10 3 493.10 453.47 451.38 o
-8 10 3 12200.87 12595.36 1007.58 o
-5 10 3 7395.47 7542.27 858.38 o
-2 10 3 10575.82 9448.77 844.04 o
1 10 3 12919.62 13819.27 1048.59 o
-10 11 3 1088.32 2853.51 631.43 o
-7 11 3 5354.46 5690.12 1315.41 o
-4 11 3 20186.14 19195.36 1225.49 o
-1 11 3 1902.02 2501.89 559.55 o
-9 12 3 228.46 808.64 558.61 o
-6 12 3 74.67 -298.52 634.92 o
-3 12 3 2176.50 2511.09 558.48 o
-1 1 4 31617.54 33211.43 503.33 o
-3 2 4 51049.93 51914.23 889.53 o
0 2 4 12755.03 11887.54 368.76 o
-5 3 4 30654.19 29083.06 703.29 o
-2 3 4 46361.35 50424.40 602.25 o
1 3 4 159214.64 153826.33 1079.69 o
-7 4 4 16227.02 15256.33 682.67 o
-4 4 4 4350.67 4694.46 339.69 o
-1 4 4 10184.13 10660.09 473.58 o
2 4 4 31990.80 29631.11 1237.31 o
-9 5 4 25167.55 25417.73 853.64 o
-6 5 4 26835.22 28914.07 750.90 o
-3 5 4 52221.61 53836.44 805.09 o
0 5 4 11500.10 12348.32 1201.04 o
3 5 4 65014.98 60917.36 1062.00 o
-11 6 4 28085.04 28665.58 2468.08 o
-8 6 4 47992.88 46800.00 1995.70 o
-5 6 4 48321.02 51329.96 1031.54 o
-2 6 4 39706.00 38205.27 1709.33 o
1 6 4 192.54 177.37 359.38 o
4 6 4 823.79 1125.73 601.60 o
-13 7 4 25169.66 25920.23 2017.37 o
-10 7 4 15085.97 15013.73 865.01 o
-7 7 4 25747.24 25877.72 834.60 o
-4 7 4 101464.86 102496.58 1327.93 o
-1 7 4 12455.97 12801.70 698.20 o
2 7 4 13230.13 12149.60 1043.23 o
5 7 4 18738.07 18606.32 1060.56 o
-12 8 4 2557.09 2747.20 637.37 o
-9 8 4 5701.58 5684.90 819.39 o
-6 8 4 1487.55 1942.27 414.12 o
-3 8 4 23568.64 23327.59 844.74 o
0 8 4 52542.43 51996.51 1107.89 o
3 8 4 3402.02 3841.88 775.53 o
-11 9 4 2861.81 1966.36 551.99 o
-8 9 4 63681.19 68494.72 1526.87 o
-5 9 4 6747.26 6580.86 2047.06 o
-2 9 4 22381.52 22177.13 907.86 o
1 9 4 28592.02 27733.21 1044.89 o
-10 10 4 611.30 124.61 345.12 o
-7 10 4 6240.60 6855.94 887.00 o
-4 10 4 38289.05 38531.27 1160.87 o
-1 10 4 2823.32 3531.72 622.01 o
2 10 4 31871.09 31805.94 1298.11 o
-9 11 4 16517.35 17593.44 1339.58 o
-6 11 4 8850.73 9818.14 935.12 o
-3 11 4 193.80 950.72 433.63 o
0 11 4 365.99 387.62 973.89 o
-8 12 4 12975.28 15611.36 1129.47 o
-5 12 4 14761.13 16484.85 1158.28 o
-2 12 4 8326.66 10063.42 1029.86 o
0 1 5 3106.04 2808.81 256.86 o
-2 2 5 76546.23 79129.09 774.25 o
-4 3 5 2704.44 2305.28 404.85 o
-1 3 5 96541.45 92912.57 769.36 o
2 3 5 1391.96 1481.87 215.95 o
-6 4 5 3169.59 2646.52 535.13 o
-3 4 5 144956.50 140517.59 1843.41 o
0 4 5 2928.32 3574.24 382.28 o
3 4 5 66980.99 65422.22 1016.36 o
-8 5 5 32222.96 31793.53 862.77 o
-5 5 5 12860.58 13884.59 475.05 o
-2 5 5 43675.14 42661.16 1067.35 o
1 5 5 19069.16 18844.45 669.54 o
4 5 5 14792.62 13649.04 1038.56 o
-10 6 5 7720.80 8713.49 986.30 o
-7 6 5 2081.26 2170.10 624.43 o
-4 6 5 147930.30 142395.08 1422.93 o
-1 6 5 5041.78 5470.77 570.23 o
2 6 5 26961.95 25436.48 1705.56 o
5 6 5 141.10 -372.04 372.04 o
-12 7 5 7982.27 7923.26 944.34 o
-9 7 5 7930.27 9285.36 740.41 o
-6 7 5 41.26 -217.19 372.59 o
-3 7 5 47.71 -289.72 302.68 o
0 7 5 61741.25 60328.67 2445.59 o
3 7 5 124.16 176.41 339.41 o
6 7 5 1075.29 1218.62 459.19 o
-11 8 5 1281.89 1025.68 414.91 o
-8 8 5 46888.41 46909.89 1910.56 o
-5 8 5 27156.96 28099.33 926.24 o
-2 8 5 4456.60 4110.98 642.48 o
1 8 5 9733.90 9881.74 1370.50 o
4 8 5 816.00 871.88 423.84 o
-10 9 5 15417.40 16799.56 973.11 o
-7 9 5 20806.13 21760.34 983.28 o
-4 9 5 12541.03 12949.26 815.51 o
-1 9 5 407.83 560.22 402.24 o
2 9 5 92.85 -50.00 603.27 o
-12 10 5 51.92 177.38 471.25 o
-9 10 5 509.20 515.96 487.03 o
-6 10 5 7557.67 8825.75 872.67 o
-3 10 5 82892.61 85591.22 1505.57 o
0 10 5 181.43 -24.81 410.57 o
-11 11 5 2527.39 2864.16 437.37 o
-8 11 5 115.37 573.09 571.62 o
-5 11 5 3704.52 4054.26 684.14 o
-2 11 5 4783.26 6851.77 855.96 o
-10 12 5 10317.64 10719.84 1386.58 o
-7 12 5 2612.01 3352.13 784.61 o
-4 12 5 1591.25 913.61 480.82 o
0 0 6 16357.83 19376.07 738.40 o
1 1 6 61698.82 61759.68 636.25 o
-1 2 6 7255.40 6666.39 383.59 o
2 2 6 336162.09 311882.06 1639.70 o
-3 3 6 40287.33 40328.63 870.29 o
0 3 6 39838.83 37923.33 559.39 o
3 3 6 907.28 495.96 265.75 o
-5 4 6 60.86 391.22 240.67 o
-2 4 6 106505.70 101637.82 912.26 o
1 4 6 9286.74 9171.45 508.90 o
4 4 6 15881.40 15420.78 729.93 o
-7 5 6 1254.06 2281.29 443.44 o
-4 5 6 5025.52 6277.01 891.32 o
-1 5 6 1184.06 1097.24 242.28 o
2 5 6 79647.46 76353.16 1123.43 o
5 5 6 3182.45 2765.49 436.27 o
-9 6 6 150214.98 142959.64 1715.14 o
-6 6 6 1233.70 1349.80 248.98 o
-3 6 6 87136.99 84609.66 1072.12 o
0 6 6 1839.63 2058.53 403.30 o
3 6 6 1835.99 2217.03 329.41 o
6 6 6 10229.91 10020.43 933.76 o
-11 7 6 10936.20 12172.15 1209.79 o
-8 7 6 10685.37 10608.87 748.44 o
-5 7 6 89451.53 88417.80 1298.94 o
-2 7 6 905.28 1077.41 332.02 o
1 7 6 152302.97 144465.89 1628.22 o
4 7 6 775.64 1649.49 1434.09 o
-10 8 6 9403.60 9954.50 835.24 o
-7 8 6 9681.42 10495.48 864.38 o
-4 8 6 9758.30 10031.84 715.76 o
-1 8 6 48.05 -256.05 312.02 o
2 8 6 9898.87 9429.35 846.83 o
-12 9 6 215.75 -87.93 453.28 o
-9 9 6 15508.07 15950.44 702.91 o
-6 9 6 13751.54 14286.93 865.42 o
-3 9 6 40341.75 40070.14 1028.18 o
0 9 6 24751.10 23611.07 941.55 o
3 9 6 11287.28 11572.25 2071.36 o
-11 10 6 851.91 254.77 474.19 o
-8 10 6 22.36 249.50 429.20 o
-5 10 6 4601.28 5384.68 990.60 o
-2 10 6 157.19 667.61 368.63 o
1 10 6 6591.72 7831.06 1381.13 o
-10 11 6 17136.59 16107.11 1270.40 o
-7 11 6 343.66 -36.21 927.34 o
-4 11 6 11235.71 11153.11 928.28 o
-1 11 6 1106.49 1208.46 450.35 o
-9 12 6 3234.56 4063.59 1556.49 o
-6 12 6 1885.89 1869.80 491.41 o
-3 12 6 69.87 467.97 462.07 o
-1 1 7 104099.27 109829.48 614.20 o
-3 2 7 59270.68 60673.40 818.27 o
0 2 7 7806.87 8001.74 382.63 o
-5 3 7 4888.31 4557.17 479.86 o
-2 3 7 273263.00 274040.63 1378.00 o
1 3 7 66815.55 64045.84 766.37 o
-7 4 7 58368.23 58330.66 1260.70 o
-4 4 7 27063.59 29402.76 470.97 o
-1 4 7 27035.03 26785.26 557.10 o
2 4 7 51850.52 49211.04 883.01 o
-9 5 7 70.91 -58.59 322.36 o
-6 5 7 71170.02 70192.67 1075.45 o
-3 5 7 36621.06 36995.74 714.70 o
0 5 7 23229.04 23248.03 822.16 o
3 5 7 35274.61 33297.06 898.71 o
-11 6 7 40.52 236.37 384.94 o
-8 6 7 37413.07 38480.28 1003.17 o
-5 6 7 9936.44 10037.20 831.60 o
-2 6 7 67603.31 65029.22 1192.58 o
1 6 7 2288.18 2062.67 398.92 o
4 6 7 10454.40 10571.33 780.28 o
-10 7 7 10878.18 9716.80 828.48 o
-7 7 7 39149.89 39712.41 827.01 o
-4 7 7 149808.88 151965.14 3855.15 o
-1 7 7 36406.72 33777.21 873.29 o
2 7 7 2071.60 1993.75 648.53 o
5 7 7 901.49 1305.58 428.15 o
-12 8 7 16524.31 18103.76 2734.71 o
-9 8 7 4351.37 4623.55 585.12 o
-6 8 7 379.65 737.25 346.31 o
-3 8 7 20801.09 20008.43 804.49 o
0 8 7 45424.15 44086.73 1909.02 o
3 8 7 13798.38 12648.56 1167.96 o
-11 9 7 5938.90 6520.84 934.89 o
-8 9 7 52765.52 54455.43 1713.04 o
-5 9 7 1246.00 1330.21 381.39 o
-2 9 7 21149.46 21417.09 1140.67 o
1 9 7 3901.14 5588.64 1663.35 o
-10 10 7 17503.04 18671.95 816.26 o
-7 10 7 30351.79 29314.26 1171.44 o
-4 10 7 31757.33 31788.22 1105.36 o
-1 10 7 627.04 927.97 702.10 o
2 10 7 24814.51 25027.74 1866.86 o
-9 11 7 33614.73 33935.70 1838.14 o
-6 11 7 22713.39 22129.47 1134.29 o
-3 11 7 23688.15 25473.20 1113.18 o
0 11 7 8322.82 8964.26 1004.80 o
-8 12 7 9144.87 10167.81 1125.07 o
-5 12 7 32956.16 35320.05 1307.48 o
-2 12 7 10815.44 11776.91 1102.70 o
0 1 8 17482.91 16779.36 471.09 o
-2 2 8 226.20 410.09 134.38 o
-4 3 8 3240.54 3250.37 451.75 o
-1 3 8 2020.78 1840.78 333.54 o
2 3 8 58556.90 56323.51 828.84 o
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