#------------------------------------------------------------------------------
#$Date: 2016-04-02 21:40:12 +0300 (Sat, 02 Apr 2016) $
#$Revision: 180797 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/28/2012899.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_2012899_Fobs
loop_
_publ_author_name
'Linden, Anthony'
'James, Bruce D.'
_publ_section_title
;
 Tetraphenylarsonium tetraiodothallate(III)
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m439
_journal_page_last               m440
_journal_volume                  58
_journal_year                    2002
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   14.7686
_cell_length_b                   14.7686
_cell_length_c                   13.1319
_exptl_crystal_F_000             1960.00
_reflns_d_resolution_high        0.7102
_cod_data_source_file            sk1564Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' Ph4As-TlI4 (L0211)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            735.63
_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'
'-y+3/4, x+1/4, z+1/4'
'y+1/4, -x+1/4, z+1/4'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1, z+1/2'
'-y+5/4, x+3/4, z+3/4'
'y+3/4, -x+3/4, z+3/4'
'-x, -y, -z'
'x, y-1/2, -z'
'y-3/4, -x-1/4, -z-1/4'
'-y-1/4, x-1/4, -z-1/4'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y, -z+1/2'
'y-1/4, -x+1/4, -z+1/4'
'-y+1/4, x+1/4, -z+1/4'
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
0 2 0 310053.81 84851.88 60794.67 o
2 2 0 156785.19 152511.64 6339.48 o
-2 4 0 333774.94 340179.00 11935.57 o
0 4 0 57591.61 51729.65 2739.30 o
2 4 0 14480.87 13610.57 797.44 o
4 4 0 344759.06 349159.56 18265.98 o
-4 6 0 511589.66 526814.56 26958.97 o
-2 6 0 431638.25 422137.41 19363.53 o
0 6 0 18153.03 17417.08 900.22 o
2 6 0 18869.12 16256.56 1047.74 o
4 6 0 85398.29 78415.60 3459.58 o
6 6 0 9668.31 9952.38 481.94 o
-6 8 0 33222.00 33165.02 1361.18 o
-4 8 0 74496.03 80527.88 3975.63 o
-2 8 0 7381.64 7162.25 317.75 o
0 8 0 96955.15 90320.34 6253.20 o
2 8 0 463966.62 471768.09 30833.24 o
4 8 0 105080.83 104467.80 5338.65 o
6 8 0 13702.50 13785.42 577.57 o
8 8 0 13625.48 14229.05 806.55 o
-8 10 0 86342.07 94504.86 5814.04 o
-6 10 0 165467.97 171316.19 6886.63 o
-4 10 0 7552.63 7464.79 280.26 o
-2 10 0 10466.74 10359.61 521.37 o
0 10 0 47234.38 46270.26 2835.42 o
2 10 0 171068.09 162126.44 12055.39 o
4 10 0 80045.23 84363.12 4085.23 o
6 10 0 58670.56 60699.14 2482.61 o
8 10 0 45476.02 45868.73 2664.94 o
10 10 0 6000.29 5931.90 395.88 o
-10 12 0 552.37 479.76 137.31 o
-8 12 0 24180.85 23401.43 2012.35 o
-6 12 0 77770.81 85315.54 6447.56 o
-4 12 0 27142.55 28172.72 1890.45 o
-2 12 0 45807.06 46804.14 2427.74 o
0 12 0 50245.26 48467.82 2676.06 o
2 12 0 936.57 860.79 90.90 o
4 12 0 798.27 651.11 124.52 o
6 12 0 77027.52 84476.55 3612.20 o
8 12 0 75838.73 85721.62 3389.44 o
10 12 0 9893.08 9711.27 787.34 o
12 12 0 1163.97 1220.32 164.61 o
-12 14 0 5304.75 5519.64 1161.35 o
-10 14 0 10604.91 12589.18 932.50 o
-8 14 0 6903.45 6975.02 830.58 o
-6 14 0 211.71 197.17 102.19 o
-4 14 0 11013.70 10799.32 650.84 o
-2 14 0 108639.81 114164.81 6852.66 o
0 14 0 71371.95 78128.43 3901.21 o
2 14 0 821.62 778.70 113.91 o
4 14 0 414.88 453.06 100.98 o
6 14 0 15837.06 17205.23 532.07 o
8 14 0 15515.44 15264.84 603.08 o
10 14 0 5926.00 6134.63 360.00 o
12 14 0 18596.44 22733.38 1124.40 o
14 14 0 10857.64 12021.75 1077.71 o
-12 16 0 6967.75 6140.91 573.39 o
-10 16 0 25158.31 27482.03 2663.54 o
-8 16 0 9988.18 9303.66 538.18 o
-6 16 0 279.34 200.81 313.35 o
-4 16 0 3629.54 3608.27 372.08 o
-2 16 0 14012.96 14017.56 1296.90 o
0 16 0 15628.83 15228.04 853.58 o
2 16 0 20118.12 21372.10 1088.82 o
4 16 0 34955.16 40643.22 2521.92 o
6 16 0 6981.37 7386.71 408.17 o
8 16 0 867.99 732.08 196.34 o
10 16 0 1471.13 1542.41 290.92 o
12 16 0 13892.54 15452.46 926.11 o
-10 18 0 4337.87 4194.41 611.44 o
-8 18 0 6005.56 5991.00 611.67 o
-6 18 0 10297.22 10300.76 1303.77 o
-4 18 0 14551.46 14508.13 2140.13 o
-2 18 0 954.65 646.67 223.90 o
0 18 0 206.45 299.17 208.29 o
2 18 0 10645.63 9444.05 532.05 o
4 18 0 23754.63 24177.06 1080.18 o
6 18 0 8506.46 8500.71 546.58 o
8 18 0 1379.98 1401.05 438.23 o
10 18 0 2449.85 2537.46 481.35 o
-4 20 0 12851.08 12406.77 1258.89 o
-2 20 0 3173.93 3078.78 853.14 o
0 20 0 265.57 377.59 236.06 o
2 20 0 3004.75 3059.64 432.09 o
4 20 0 2297.76 1482.13 350.58 o
-1 2 1 112629.12 99449.40 4350.21 o
1 2 1 11266.39 10437.77 292.44 o
-2 3 1 8409.95 8726.72 244.34 o
0 3 1 6176.20 5620.48 250.03 o
2 3 1 1825.69 1666.90 72.31 o
-3 4 1 172934.27 175790.55 5420.76 o
-1 4 1 51255.72 47263.95 1547.14 o
1 4 1 100974.61 94452.21 3335.75 o
3 4 1 7793.38 6881.11 215.90 o
-4 5 1 172349.17 176553.30 5253.26 o
-2 5 1 90822.81 90757.36 2925.67 o
0 5 1 518.09 752.73 41.43 o
2 5 1 41280.82 39686.02 1300.07 o
4 5 1 399.46 650.74 47.75 o
-5 6 1 41634.60 42251.40 1202.92 o
-3 6 1 70558.01 68996.92 2166.15 o
-1 6 1 6346.90 6035.97 201.87 o
1 6 1 371.84 460.90 27.47 o
3 6 1 83916.90 79233.03 2613.81 o
5 6 1 23989.32 22088.82 714.14 o
-6 7 1 18264.86 19401.94 765.39 o
-4 7 1 675.46 810.61 55.14 o
-2 7 1 95673.54 93152.73 3144.61 o
0 7 1 100877.32 91504.98 3752.44 o
2 7 1 22220.14 21183.09 887.86 o
4 7 1 8666.52 8315.36 228.52 o
6 7 1 12030.51 11830.73 445.88 o
-7 8 1 1169.32 1269.57 68.84 o
-5 8 1 53699.15 54306.07 1765.72 o
-3 8 1 1211.48 1343.93 92.53 o
-1 8 1 8359.67 7756.07 305.14 o
1 8 1 41972.14 40670.54 1737.92 o
3 8 1 79217.04 75242.79 3000.25 o
5 8 1 1992.29 2032.86 76.62 o
7 8 1 11063.05 10948.98 384.31 o
-8 9 1 15656.25 15612.35 581.83 o
-6 9 1 1192.81 1306.62 56.15 o
-4 9 1 15512.89 15614.28 440.25 o
-2 9 1 14910.66 15293.42 532.06 o
0 9 1 21039.28 20235.34 759.56 o
2 9 1 93088.86 92980.70 4195.43 o
4 9 1 22823.40 22119.04 747.84 o
6 9 1 134.57 223.44 35.85 o
8 9 1 5156.82 5302.67 241.96 o
-9 10 1 1681.37 1868.54 144.02 o
-7 10 1 29198.44 30957.08 1207.68 o
-5 10 1 19937.78 20671.47 607.08 o
-3 10 1 5788.98 5529.76 263.93 o
-1 10 1 315.55 377.47 30.28 o
1 10 1 50508.59 48974.23 2353.66 o
3 10 1 6961.78 6458.40 313.45 o
5 10 1 12718.08 12380.01 430.60 o
7 10 1 3978.42 4027.00 163.60 o
9 10 1 33056.19 35107.03 1573.88 o
-10 11 1 50.15 20.10 64.07 o
-8 11 1 15254.13 14824.28 852.75 o
-6 11 1 41388.81 43014.00 1721.21 o
-4 11 1 16237.16 16282.64 624.40 o
-2 11 1 4937.66 4912.07 198.32 o
0 11 1 10387.76 10215.60 388.70 o
2 11 1 120.89 139.08 47.47 o
4 11 1 19494.13 18183.71 797.93 o
6 11 1 29396.14 29919.68 1055.18 o
8 11 1 8376.31 8129.35 297.57 o
10 11 1 1745.13 1834.79 89.98 o
-11 12 1 1512.41 1743.77 126.47 o
-9 12 1 5962.45 5666.22 323.92 o
-7 12 1 16833.57 16927.96 835.88 o
-5 12 1 88.12 198.10 51.23 o
-3 12 1 1906.65 1824.21 84.57 o
-1 12 1 15150.12 15316.39 511.20 o
1 12 1 15600.41 14928.68 711.98 o
3 12 1 6017.17 5729.21 228.97 o
5 12 1 194.02 269.84 59.66 o
7 12 1 31203.29 33023.58 1096.73 o
9 12 1 4631.07 4580.45 199.93 o
11 12 1 3120.53 3245.17 141.79 o
-12 13 1 459.60 326.49 147.78 o
-10 13 1 2025.01 2347.61 160.64 o
-8 13 1 732.26 765.08 80.35 o
-6 13 1 1096.17 1135.37 103.62 o
-4 13 1 20471.76 20580.51 987.15 o
-2 13 1 26681.68 25339.37 1060.04 o
0 13 1 2070.10 2235.25 104.45 o
2 13 1 5097.97 4547.64 270.74 o
4 13 1 1191.05 1319.77 84.30 o
6 13 1 2762.75 2629.79 141.54 o
8 13 1 11120.72 12418.84 360.22 o
10 13 1 6529.54 7200.50 245.63 o
12 13 1 54.99 114.38 117.47 o
-13 14 1 106.85 169.28 266.91 o
-11 14 1 290.94 75.60 134.57 o
-9 14 1 8001.16 8553.47 320.68 o
-7 14 1 1510.75 1408.41 100.96 o
-5 14 1 2444.68 2392.20 176.71 o
-3 14 1 1727.10 1700.56 81.08 o
-1 14 1 15536.38 15315.97 594.43 o
1 14 1 279.93 198.48 63.66 o
3 14 1 1341.61 1128.57 91.98 o
5 14 1 6304.12 6663.94 258.62 o
7 14 1 7122.86 7396.46 208.67 o
9 14 1 424.07 300.55 105.40 o
11 14 1 66.77 65.94 165.49 o
13 14 1 2974.09 3192.66 237.17 o
-14 15 1 595.78 737.80 275.40 o
-12 15 1 3282.22 3575.41 275.23 o
-10 15 1 3616.17 3540.19 269.50 o
-8 15 1 60.17 -68.67 117.46 o
-6 15 1 3666.28 3465.24 244.86 o
-4 15 1 734.89 612.08 69.34 o
-2 15 1 6021.57 5955.96 351.17 o
0 15 1 13815.15 14805.87 562.80 o
2 15 1 8315.69 8915.99 422.46 o
4 15 1 66.25 83.76 73.23 o
6 15 1 960.08 811.96 100.98 o
8 15 1 184.87 306.37 123.74 o
10 15 1 2230.11 2196.47 187.33 o
12 15 1 3246.76 3731.47 256.36 o
14 15 1 676.84 1052.61 286.92 o
-13 16 1 74.51 72.74 247.79 o
-11 16 1 1598.34 1465.64 322.26 o
-9 16 1 3084.55 3286.14 514.53 o
-7 16 1 127.04 -2.97 137.24 o
-5 16 1 266.45 153.54 115.36 o
-3 16 1 6375.71 6637.63 436.75 o
-1 16 1 3880.30 3220.37 153.10 o
1 16 1 1152.63 1307.18 113.42 o
3 16 1 485.04 483.34 88.67 o
5 16 1 7665.02 7368.25 289.65 o
7 16 1 298.73 438.35 132.79 o
9 16 1 462.90 548.40 170.93 o
11 16 1 791.00 1147.14 223.40 o
13 16 1 1394.63 2030.04 264.23 o
-10 17 1 1908.79 1823.39 291.28 o
-8 17 1 4911.64 4338.51 330.77 o
-6 17 1 1898.95 1652.13 172.80 o
-4 17 1 524.24 349.38 139.53 o
-2 17 1 1269.61 1172.13 134.18 o
0 17 1 131.46 145.11 87.99 o
2 17 1 4182.57 3885.53 216.12 o
4 17 1 8231.32 8495.79 359.53 o
6 17 1 1072.80 1227.36 195.37 o
8 17 1 145.02 42.16 152.55 o
10 17 1 156.80 72.08 189.23 o
-9 18 1 76.98 -17.07 203.16 o
-7 18 1 205.31 349.05 168.17 o
-5 18 1 1748.29 1885.12 220.50 o
-3 18 1 2757.50 2398.70 199.35 o
-1 18 1 148.90 136.22 130.83 o
1 18 1 74.44 -28.82 129.13 o
3 18 1 3454.06 2976.41 172.63 o
5 18 1 2250.69 2458.61 298.61 o
7 18 1 231.14 -65.27 195.17 o
9 18 1 26.15 -86.08 222.51 o
-8 19 1 185.91 344.77 239.34 o
-6 19 1 3650.45 3177.82 533.26 o
-4 19 1 3413.91 3140.96 385.66 o
-2 19 1 164.10 -0.46 197.80 o
0 19 1 438.32 180.62 155.80 o
2 19 1 682.06 454.62 148.45 o
4 19 1 578.41 577.67 156.30 o
6 19 1 1969.31 2014.42 300.66 o
8 19 1 1343.61 1357.54 515.88 o
-5 20 1 1039.62 1331.07 302.70 o
-3 20 1 241.60 184.08 200.52 o
-1 20 1 11.25 245.55 174.42 o
1 20 1 801.57 864.08 208.77 o
3 20 1 1302.20 1064.20 190.00 o
5 20 1 35.51 246.61 248.87 o
1 1 2 209809.77 207918.91 8755.30 o
0 2 2 33913.74 32127.81 966.41 o
-1 3 2 126302.34 110634.40 4058.37 o
1 3 2 177469.42 171304.67 5418.36 o
3 3 2 95197.35 85396.32 3356.06 o
-2 4 2 142116.03 134042.53 6571.57 o
0 4 2 67048.03 61827.27 2079.59 o
2 4 2 5329.09 5693.30 182.87 o
4 4 2 7131.79 6582.07 195.90 o
-3 5 2 171533.73 165108.70 8462.11 o
-1 5 2 68516.42 61469.44 2274.95 o
1 5 2 89406.00 80924.38 2798.41 o
3 5 2 146685.39 143864.09 4191.54 o
5 5 2 107414.73 104808.35 3877.13 o
-4 6 2 6304.81 6001.88 237.49 o
-2 6 2 34029.49 31801.67 1213.02 o
0 6 2 124395.01 117811.43 3597.57 o
2 6 2 30742.41 28045.54 1082.05 o
4 6 2 218520.89 209773.39 5328.50 o
6 6 2 811.12 1108.37 40.12 o
-5 7 2 71759.27 72584.90 2589.13 o
-3 7 2 94546.64 94984.23 3073.05 o
-1 7 2 88294.94 85523.66 3079.40 o
1 7 2 78368.25 71293.64 3052.40 o
3 7 2 83940.37 78937.45 2514.51 o
5 7 2 52693.02 52829.79 1584.94 o
7 7 2 36393.21 36801.59 1461.66 o
-6 8 2 77520.53 81397.23 2457.12 o
-4 8 2 80110.78 80792.44 2620.41 o
-2 8 2 36769.37 36981.21 1143.22 o
0 8 2 108098.11 106576.55 2985.60 o
2 8 2 354.08 392.11 57.74 o
4 8 2 1469.47 1446.08 51.09 o
6 8 2 54.06 47.45 38.26 o
8 8 2 17182.10 17333.98 738.35 o
-7 9 2 54846.09 57975.05 1989.85 o
-5 9 2 42344.80 43649.66 1463.59 o
-3 9 2 26507.19 26072.14 1105.02 o
-1 9 2 46505.70 45780.02 1665.78 o
1 9 2 71886.52 69316.91 2968.90 o
3 9 2 75369.54 71800.27 2945.28 o
5 9 2 47478.14 47294.50 1375.93 o
7 9 2 26333.15 26494.33 767.21 o
9 9 2 32104.23 33580.47 1535.87 o
-8 10 2 14421.41 14540.06 726.23 o
-6 10 2 996.94 1024.39 51.94 o
-4 10 2 196.64 286.28 59.35 o
-2 10 2 19.80 59.03 30.39 o
0 10 2 37040.61 36364.78 1264.05 o
2 10 2 3592.75 3486.49 169.39 o
4 10 2 66508.12 67551.72 2238.18 o
6 10 2 21588.51 23041.52 606.06 o
8 10 2 21287.88 21918.21 744.58 o
10 10 2 7342.74 7271.61 287.15 o
-9 11 2 21237.56 21328.71 1212.83 o
-7 11 2 38102.27 37362.58 1381.47 o
-5 11 2 33493.54 33351.47 1313.46 o
-3 11 2 34177.49 35046.44 1381.37 o
-1 11 2 32475.95 32788.39 1097.50 o
1 11 2 40163.59 40649.82 1611.14 o
3 11 2 41370.63 40314.42 1462.25 o
5 11 2 27337.58 26913.83 939.43 o
7 11 2 31053.92 32128.12 997.26 o
9 11 2 20989.51 22461.00 874.61 o
11 11 2 6676.83 6146.70 382.76 o
-10 12 2 1202.91 974.97 123.53 o
-8 12 2 8910.79 8321.40 512.50 o
-6 12 2 3655.60 3527.06 168.62 o
-4 12 2 48139.15 49898.73 2006.91 o
-2 12 2 1903.81 1857.89 92.51 o
0 12 2 53646.71 53575.28 1983.03 o
2 12 2 15729.88 16043.59 802.33 o
4 12 2 3581.07 3014.52 173.19 o
6 12 2 3741.34 3521.86 113.08 o
8 12 2 441.96 316.28 38.60 o
10 12 2 4341.52 4515.67 229.37 o
12 12 2 162.83 29.65 109.86 o
-11 13 2 7751.65 7968.69 405.00 o
-9 13 2 7628.85 7105.32 545.81 o
-7 13 2 12952.89 11984.40 689.63 o
-5 13 2 19805.68 20323.59 1034.80 o
-3 13 2 30070.14 29665.12 1395.91 o
-1 13 2 44983.38 46685.09 1383.18 o
1 13 2 26793.14 25247.35 1118.92 o
3 13 2 9808.07 9213.45 541.01 o
5 13 2 16355.82 17123.55 541.46 o
7 13 2 22352.59 23590.21 553.20 o
9 13 2 13274.90 14015.33 553.85 o
11 13 2 9079.92 10596.20 378.30 o
13 13 2 6558.10 6901.59 309.58 o
-12 14 2 7235.29 7346.70 474.10 o
-10 14 2 450.05 322.69 143.60 o
-8 14 2 16066.71 16852.20 1619.17 o
-6 14 2 301.59 203.53 80.52 o
-4 14 2 3828.02 3411.57 172.04 o
-2 14 2 314.16 313.18 49.95 o
0 14 2 2139.13 2338.11 113.08 o
2 14 2 4196.39 4337.60 227.71 o
4 14 2 4999.35 4953.54 187.98 o
6 14 2 22065.54 24226.14 547.75 o
8 14 2 188.69 177.68 84.91 o
10 14 2 11461.38 12972.48 551.09 o
12 14 2 718.68 537.15 142.95 o
14 14 2 2119.00 2213.96 253.04 o
-13 15 2 3120.18 2681.00 255.78 o
-11 15 2 8107.22 8034.89 467.72 o
-9 15 2 9488.32 10609.54 651.20 o
-7 15 2 7023.46 6878.06 565.79 o
-5 15 2 8007.29 7339.39 341.69 o
-3 15 2 12276.88 12436.61 620.18 o
-1 15 2 21448.43 20233.12 918.05 o
1 15 2 20250.94 20523.27 826.88 o
3 15 2 12168.74 12692.13 508.40 o
5 15 2 12444.54 12421.23 340.53 o
7 15 2 9099.32 9639.63 554.47 o
9 15 2 5403.12 5579.77 309.70 o
11 15 2 7384.18 7655.13 348.53 o
13 15 2 5324.75 5432.36 406.85 o
-12 16 2 741.27 288.30 261.11 o
-10 16 2 428.00 445.96 184.13 o
-8 16 2 1144.07 974.59 137.35 o
-6 16 2 1.95 -113.71 113.71 o
-4 16 2 9237.57 9235.72 695.76 o
-2 16 2 7479.99 7580.25 375.34 o
0 16 2 9832.68 9708.95 430.59 o
2 16 2 14595.04 14860.95 523.16 o
4 16 2 435.51 419.53 90.10 o
6 16 2 4663.84 4184.89 199.95 o
8 16 2 24.12 196.80 144.79 o
10 16 2 75.21 322.45 168.45 o
12 16 2 558.86 464.46 181.56 o
-11 17 2 3805.78 3662.86 284.21 o
-9 17 2 6505.38 5406.13 421.80 o
-7 17 2 5902.67 5594.46 635.32 o
-5 17 2 6558.67 6862.63 385.71 o
-3 17 2 7762.08 7665.96 578.04 o
-1 17 2 5624.26 4975.08 356.69 o
1 17 2 7936.85 7706.37 405.13 o
3 17 2 11829.07 12320.47 424.66 o
5 17 2 8598.47 8786.55 447.14 o
7 17 2 5405.78 6048.85 322.89 o
9 17 2 3192.88 2833.07 237.39 o
11 17 2 2889.80 3112.55 294.21 o
-10 18 2 86.49 -43.62 235.50 o
-8 18 2 3646.66 3703.68 266.88 o
-6 18 2 2012.96 2071.15 269.92 o
-4 18 2 1000.63 625.96 168.93 o
-2 18 2 2995.15 2340.63 206.83 o
0 18 2 100.90 106.19 124.39 o
2 18 2 10.96 -40.88 96.62 o
4 18 2 76.55 76.51 100.98 o
6 18 2 3741.21 3989.59 337.94 o
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