#------------------------------------------------------------------------------
#$Date: 2018-02-15 09:29:35 +0200 (Thu, 15 Feb 2018) $
#$Revision: 206448 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/10/2021004.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_2021004
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   12.3534
_cell_length_b                   12.3534
_cell_length_c                   17.4326
_exptl_crystal_F_000             3965.40
_reflns_d_resolution_high        0.7536
_cod_data_source_file            sk3679Isup2.hkl
_cod_data_source_block           I
_shelx_title                     '  Ca11In2Bi8 in space group I 4/m m m'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            1864.38
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'x, -y, -z'
'-x, y, -z'
'-y, -x, -z'
'y, x, -z'
'y, -x, z'
'-y, x, z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'-y+1/2, -x+1/2, -z+1/2'
'y+1/2, x+1/2, -z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'-x, -y, -z'
'x, y, -z'
'-x, y, z'
'x, -y, z'
'y, x, z'
'-y, -x, z'
'-y, x, -z'
'y, -x, -z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'-x+1/2, y+1/2, z+1/2'
'x+1/2, -y+1/2, z+1/2'
'y+1/2, x+1/2, z+1/2'
'-y+1/2, -x+1/2, z+1/2'
'-y+1/2, x+1/2, -z+1/2'
'y+1/2, -x+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 1 0 6950.20 6962.43 811.97 o
0 2 0 10329.73 13960.86 1336.33 o
2 2 0 798708.81 817059.06 37426.97 o
1 3 0 69982.53 80473.59 3796.33 o
3 3 0 3045501.50 2745484.75 147282.53 o
0 4 0 896411.69 923225.12 56208.28 o
2 4 0 16704.14 18570.84 1840.72 o
4 4 0 506142.91 479939.72 30276.69 o
1 5 0 5586.17 4432.94 1614.61 o
3 5 0 109356.95 110077.05 5513.11 o
5 5 0 956889.88 933442.50 57533.04 o
0 6 0 2100880.75 1999780.75 108090.33 o
2 6 0 85338.80 78057.05 4433.54 o
4 6 0 345614.53 329380.41 14515.85 o
6 6 0 868788.50 912342.81 56722.82 o
1 7 0 222861.69 224315.22 10177.99 o
3 7 0 264236.53 272924.91 11979.56 o
5 7 0 1009788.31 1002629.88 43661.86 o
7 7 0 62649.43 54522.70 7108.47 o
0 8 0 248000.45 252787.17 14247.24 o
2 8 0 758994.31 775729.62 30587.92 o
4 8 0 211.13 669.59 2175.28 o
6 8 0 189713.08 200684.88 11193.91 o
8 8 0 992235.38 1004205.31 72547.73 o
1 9 0 74494.81 81876.84 4916.12 o
3 9 0 37460.57 33562.61 3337.28 o
5 9 0 97189.30 98925.82 7158.05 o
7 9 0 27804.30 37922.17 5152.98 o
9 9 0 318441.31 372545.62 39514.31 o
0 10 0 1187335.00 1221361.00 61669.81 o
2 10 0 344391.19 348016.38 14691.00 o
4 10 0 42066.02 42757.67 4345.45 o
6 10 0 125544.15 122830.65 8795.99 o
8 10 0 60235.84 46213.39 8038.77 o
10 10 0 151533.42 201827.61 29937.38 o
1 11 0 3627.44 2499.15 2521.83 o
3 11 0 56608.41 62752.61 4880.27 o
5 11 0 45606.48 43711.98 5862.04 o
7 11 0 37114.37 27098.04 6667.92 o
9 11 0 15337.23 28213.96 7396.29 o
11 11 0 37221.86 45551.15 13123.50 o
0 12 0 17597.76 24199.35 4571.26 o
2 12 0 626100.38 634832.38 25054.39 o
4 12 0 101271.08 99314.75 8139.98 o
6 12 0 274822.12 263610.03 27462.06 o
8 12 0 390486.19 375950.97 28628.22 o
10 12 0 33806.45 33385.88 8631.51 o
1 13 0 202444.78 180257.00 9872.78 o
3 13 0 125745.33 125762.98 9030.11 o
5 13 0 202003.53 187003.62 20902.14 o
7 13 0 2889.87 -3911.91 5676.45 o
9 13 0 32874.06 37203.92 15796.80 o
0 14 0 483574.12 424534.38 31075.58 o
2 14 0 825.90 2364.29 4045.63 o
4 14 0 108732.96 125276.84 11946.00 o
6 14 0 160871.39 190157.53 17576.52 o
8 14 0 27624.44 34736.29 8980.25 o
1 15 0 25697.48 25499.50 7520.99 o
3 15 0 11365.57 -2129.25 7807.23 o
5 15 0 169791.36 186116.83 17658.28 o
0 16 0 164581.45 153233.19 18872.72 o
2 16 0 944.72 -5175.75 8000.77 o
0 1 1 10980.62 11505.11 513.21 o
1 2 1 2826.22 2191.27 503.32 o
0 3 1 1333075.50 1305078.50 47424.95 o
2 3 1 5544.16 5396.39 791.58 o
1 4 1 12904.97 12424.09 1111.95 o
3 4 1 39266.88 40503.11 2067.70 o
0 5 1 12641.96 9943.83 1616.27 o
2 5 1 195284.53 195137.84 6198.35 o
4 5 1 127507.52 126776.19 4818.25 o
1 6 1 30457.18 28341.92 1796.07 o
3 6 1 137944.38 142419.67 4956.90 o
5 6 1 14797.09 12489.69 1763.54 o
0 7 1 187480.45 196912.19 8894.67 o
2 7 1 180882.27 184324.17 6031.73 o
4 7 1 23282.42 22526.62 1955.87 o
6 7 1 33218.44 28396.85 2547.19 o
1 8 1 403.77 663.09 1217.14 o
3 8 1 59357.02 58291.15 2981.64 o
5 8 1 309119.81 323784.03 10987.85 o
7 8 1 76888.48 83597.52 4651.94 o
0 9 1 2795.12 3348.08 1886.18 o
2 9 1 84159.73 79813.50 3407.98 o
4 9 1 51724.42 48647.09 2950.66 o
6 9 1 46618.52 48279.90 3693.62 o
8 9 1 34612.02 34507.95 4447.11 o
1 10 1 69934.98 66695.69 3120.44 o
3 10 1 138693.06 130733.91 5593.11 o
5 10 1 119628.31 130795.88 6015.09 o
7 10 1 6047.93 7504.57 3066.53 o
9 10 1 6604.68 6152.66 4644.75 o
0 11 1 116497.37 116992.49 6188.92 o
2 11 1 16483.68 21016.93 2200.05 o
4 11 1 175.31 330.77 2208.91 o
6 11 1 37235.72 46504.49 4978.81 o
8 11 1 61634.25 50011.66 5949.35 o
10 11 1 248.19 -4064.89 4064.89 o
1 12 1 86560.52 79669.54 3671.37 o
3 12 1 5525.26 2493.58 2247.32 o
5 12 1 91084.86 89815.95 6325.16 o
7 12 1 4062.08 5207.26 3919.87 o
9 12 1 102935.76 105789.50 9139.38 o
11 12 1 16309.66 32497.12 20213.13 o
0 13 1 150820.91 163785.31 9323.57 o
2 13 1 49123.38 48644.98 3745.38 o
4 13 1 20256.68 23291.44 4104.46 o
6 13 1 7677.85 9487.01 4800.03 o
8 13 1 1487.34 -242.03 4430.20 o
1 14 1 3590.71 629.13 2783.01 o
3 14 1 80933.00 88758.09 6783.21 o
5 14 1 926.41 1815.37 4302.46 o
7 14 1 22272.17 21618.38 5482.09 o
0 15 1 12027.84 3483.88 5167.07 o
2 15 1 57783.17 57576.09 5964.81 o
4 15 1 387.42 -4553.00 4553.00 o
6 15 1 4940.86 3867.42 4858.57 o
1 16 1 13984.23 8052.32 8918.39 o
3 16 1 20223.61 17641.61 6692.37 o
0 0 2 9453.59 10349.57 1250.74 o
1 1 2 2500.31 2711.80 660.74 o
0 2 2 67675.72 73556.38 2479.86 o
2 2 2 516672.16 549559.50 19365.98 o
1 3 2 61547.76 67594.41 2139.92 o
3 3 2 551527.25 560176.62 19990.70 o
0 4 2 963311.56 962329.75 37069.20 o
2 4 2 229973.84 242884.70 6951.23 o
4 4 2 324049.41 340380.88 13706.90 o
1 5 2 76292.05 82065.27 3043.60 o
3 5 2 753051.06 737753.75 21508.86 o
5 5 2 11595.05 14754.99 2309.37 o
0 6 2 31484.05 33708.40 2588.96 o
2 6 2 1135.04 1688.74 1119.63 o
4 6 2 63802.00 66767.50 3149.00 o
6 6 2 88002.01 94666.41 5890.52 o
1 7 2 4194.30 4383.60 1161.17 o
3 7 2 40165.59 45815.71 2593.40 o
5 7 2 24372.49 23189.70 2135.07 o
7 7 2 113834.06 112200.28 7440.49 o
0 8 2 135687.11 140407.89 6994.32 o
2 8 2 252832.89 263774.44 8045.35 o
4 8 2 331304.94 350256.91 11315.13 o
6 8 2 45.36 -1161.61 1871.70 o
8 8 2 48225.63 45241.29 5977.34 o
1 9 2 68875.04 66085.09 3028.48 o
3 9 2 313629.91 325942.91 10223.24 o
5 9 2 335.65 357.73 1904.07 o
7 9 2 80249.77 82225.02 5803.44 o
9 9 2 179571.97 202498.33 15522.96 o
0 10 2 253703.48 258888.39 11461.47 o
2 10 2 11955.49 12221.51 1862.62 o
4 10 2 374160.66 397579.75 13423.15 o
6 10 2 46659.88 43185.41 4008.05 o
8 10 2 8938.33 3777.49 3393.97 o
10 10 2 293542.06 301062.34 30321.99 o
1 11 2 363.99 890.91 1665.09 o
3 11 2 185260.52 181077.92 6902.17 o
5 11 2 33320.17 25771.39 3590.16 o
7 11 2 207.21 481.13 3442.96 o
9 11 2 36887.56 42486.43 5901.78 o
11 11 2 34963.74 38437.21 9269.34 o
0 12 2 21984.86 30484.94 3717.82 o
2 12 2 126666.37 122670.30 5585.88 o
4 12 2 2329.67 3930.33 2802.04 o
6 12 2 18434.10 17349.40 3877.87 o
8 12 2 125401.21 134357.83 10032.33 o
10 12 2 979.37 754.88 4686.82 o
1 13 2 16159.36 19189.19 2785.06 o
3 13 2 1074.01 2029.15 2943.93 o
5 13 2 34134.14 28074.75 4433.03 o
7 13 2 81163.27 77011.02 7397.97 o
9 13 2 1829.08 -5312.66 6130.41 o
0 14 2 6479.40 594.90 4075.13 o
2 14 2 538.90 1175.46 3017.25 o
4 14 2 33177.46 33051.02 4729.57 o
6 14 2 4638.17 7687.08 4528.53 o
8 14 2 17.17 1039.73 5118.80 o
1 15 2 2077.62 -3773.57 3773.57 o
3 15 2 157879.42 168927.14 13221.86 o
5 15 2 10000.40 10959.01 4976.12 o
0 16 2 13593.46 16139.48 10278.48 o
2 16 2 71717.10 74740.17 7925.23 o
0 1 3 376.21 239.66 759.98 o
1 2 3 449914.84 458093.34 11754.12 o
0 3 3 149222.38 148655.98 5685.19 o
2 3 3 792303.50 821984.06 21358.16 o
1 4 3 107732.90 111688.60 3438.14 o
3 4 3 355056.41 361653.50 9401.93 o
0 5 3 1615695.00 1584724.25 64131.27 o
2 5 3 998005.31 997736.12 27970.21 o
4 5 3 112783.24 120460.90 4153.58 o
1 6 3 30168.46 28142.98 1698.85 o
3 6 3 25005.89 23629.33 2143.69 o
5 6 3 105295.93 111821.56 4428.44 o
0 7 3 1056512.62 1048741.25 42833.38 o
2 7 3 48501.82 49829.30 2458.85 o
4 7 3 480240.75 500188.94 15221.80 o
6 7 3 21812.40 18999.67 2169.21 o
1 8 3 425343.44 427775.12 12468.67 o
3 8 3 443790.44 451758.00 13162.16 o
5 8 3 339761.12 353753.31 11924.13 o
7 8 3 385.31 -309.31 2351.28 o
0 9 3 91724.09 96823.35 5926.18 o
2 9 3 40898.25 39974.63 2379.14 o
4 9 3 23517.06 26562.56 2440.30 o
6 9 3 70050.30 61490.89 4892.75 o
8 9 3 55792.71 57116.36 4840.28 o
1 10 3 33442.54 31872.70 2420.56 o
3 10 3 266373.06 284166.28 9866.09 o
5 10 3 147412.41 136605.70 6844.31 o
7 10 3 716555.56 764242.69 27314.61 o
9 10 3 16644.97 12818.56 6355.02 o
0 11 3 88513.61 88192.41 5784.80 o
2 11 3 26388.42 26297.50 2653.59 o
4 11 3 77153.07 77553.53 4908.49 o
6 11 3 37818.16 38766.89 4102.57 o
8 11 3 10868.31 11677.40 4198.46 o
10 11 3 1622.08 3158.18 4499.41 o
1 12 3 24502.24 22543.53 2613.47 o
3 12 3 143009.58 144926.58 6889.71 o
5 12 3 344646.78 350063.66 15263.87 o
7 12 3 93190.13 108218.04 7958.79 o
9 12 3 2401.35 509.63 6242.47 o
0 13 3 124480.73 114229.39 7763.49 o
2 13 3 1642.94 1033.92 2679.64 o
4 13 3 323312.53 325160.38 13703.65 o
6 13 3 23379.08 18737.39 4460.16 o
8 13 3 12749.79 10257.41 4740.63 o
1 14 3 1179.57 6565.78 3148.28 o
3 14 3 307.32 3590.31 3501.78 o
5 14 3 32599.20 30872.25 5017.94 o
7 14 3 59972.25 55420.78 7106.89 o
0 15 3 184592.92 171884.25 15179.15 o
2 15 3 138082.81 150500.23 9566.88 o
4 15 3 3939.59 6250.04 4854.49 o
6 15 3 32005.25 27344.92 7409.79 o
1 16 3 100528.59 120883.55 10457.67 o
0 0 4 42151.39 46196.97 8394.43 o
1 1 4 415041.22 425509.34 16648.35 o
0 2 4 314718.47 313986.91 12425.22 o
2 2 4 280405.22 283013.84 11638.99 o
1 3 4 336664.78 344402.09 8902.96 o
3 3 4 107128.02 98840.95 6290.73 o
0 4 4 312138.31 298904.69 13564.50 o
2 4 4 801.38 981.39 625.01 o
4 4 4 2335.91 878.59 1202.74 o
1 5 4 818189.12 818986.81 24544.11 o
3 5 4 23801.75 23027.81 1422.04 o
5 5 4 567546.00 570181.12 21581.59 o
0 6 4 38627.41 40204.87 4518.38 o
2 6 4 10760.20 12061.94 1224.59 o
4 6 4 2116.82 -357.90 1065.31 o
6 6 4 54564.71 59317.96 4111.60 o
1 7 4 177136.50 182844.44 6479.17 o
3 7 4 744894.00 744727.06 20736.73 o
5 7 4 70145.04 75997.56 3744.93 o
7 7 4 605466.00 608921.19 30114.84 o
0 8 4 457852.06 450787.19 19108.69 o
2 8 4 65331.86 61777.35 3249.21 o
4 8 4 27837.01 29780.80 2414.21 o
6 8 4 23666.36 23854.12 3024.01 o
8 8 4 1430.68 1697.97 3748.81 o
1 9 4 106589.81 96876.75 4219.81 o
3 9 4 10539.03 14878.77 1980.14 o
5 9 4 311077.91 335107.09 14627.37 o
7 9 4 26846.51 27759.72 3587.78 o
9 9 4 11271.58 5987.63 4772.07 o
0 10 4 144866.28 147900.17 10247.18 o
2 10 4 17036.08 19189.32 2249.10 o
4 10 4 120870.53 120045.84 7152.02 o
6 10 4 18252.39 16576.94 3156.57 o
8 10 4 22416.48 27291.20 4021.54 o
10 10 4 168932.91 130991.72 13947.58 o
1 11 4 168658.41 166545.33 6619.35 o
3 11 4 5969.28 5891.10 2305.76 o
5 11 4 54604.20 43457.52 4104.71 o
7 11 4 113768.05 115378.61 7119.06 o
9 11 4 43721.59 43378.91 6048.11 o
11 11 4 17135.98 14228.05 7485.41 o
0 12 4 104735.77 104426.52 7652.46 o
2 12 4 55822.43 49164.89 3642.29 o
4 12 4 34087.68 30852.20 3747.83 o
6 12 4 41842.02 44884.53 4804.09 o
8 12 4 45034.04 47413.66 5990.62 o
10 12 4 16553.27 23659.04 5780.63 o
1 13 4 194607.16 181597.47 8026.12 o
3 13 4 152144.88 141165.89 7667.47 o
5 13 4 11488.39 16060.14 3774.06 o
7 13 4 329774.59 351148.16 19540.71 o
9 13 4 73133.72 97433.47 8938.01 o
0 14 4 603.74 7330.18 4397.50 o
2 14 4 20506.60 21974.64 4077.02 o
4 14 4 1052.89 -1513.46 3410.25 o
6 14 4 10377.35 12446.31 4833.16 o
8 14 4 16289.08 19430.29 7779.58 o
1 15 4 92706.20 98504.02 7557.96 o
3 15 4 733.71 -1855.51 4418.50 o
5 15 4 210741.36 196627.33 14209.24 o
0 16 4 1893.96 -10038.55 10038.55 o
2 16 4 6733.99 7588.48 6264.47 o
0 1 5 46850.59 45150.50 2877.83 o
1 2 5 332680.94 337586.00 9720.85 o
0 3 5 1280981.25 1290161.62 52272.69 o
2 3 5 64601.72 67175.65 2774.51 o
1 4 5 127152.77 124781.03 3932.01 o
3 4 5 93.69 -603.09 611.79 o
0 5 5 9664.07 11406.13 1890.79 o
2 5 5 16409.31 16872.21 1461.23 o
4 5 5 441981.03 456969.19 12668.15 o
1 6 5 6780.33 6531.23 1263.54 o
3 6 5 108993.88 113154.80 3936.47 o
5 6 5 3618.81 4719.09 1166.97 o
0 7 5 28291.59 29417.01 3011.58 o
2 7 5 625688.44 638024.50 19532.60 o
4 7 5 67732.63 63436.32 3134.97 o
6 7 5 3517.72 5580.00 2288.27 o
1 8 5 83763.94 78786.67 3781.97 o
3 8 5 37648.80 38278.07 2463.83 o
5 8 5 58092.64 62645.39 4340.76 o
7 8 5 228626.33 226066.89 10070.70 o
0 9 5 2791.94 3343.39 3055.00 o
2 9 5 2827.92 269.29 1675.42 o
4 9 5 7072.86 4414.08 2353.27 o
6 9 5 31647.35 28967.84 3496.79 o
8 9 5 6099.23 3786.19 3065.12 o
1 10 5 375875.09 370932.81 12691.29 o
3 10 5 9706.50 8737.01 2274.28 o
5 10 5 349667.59 343170.53 13754.63 o
7 10 5 92055.91 70506.55 5323.67 o
9 10 5 49601.79 47954.50 5067.66 o
0 11 5 74181.59 84050.70 6973.35 o
2 11 5 19106.94 19007.52 2578.20 o
4 11 5 50940.69 59667.83 4480.53 o
6 11 5 7007.41 4128.66 3045.59 o
8 11 5 7179.68 9643.68 3748.77 o
10 11 5 47603.32 49394.73 7647.70 o
1 12 5 22229.22 18803.23 3300.19 o
3 12 5 61.25 3904.14 2852.61 o
5 12 5 22643.18 18354.67 3517.10 o
7 12 5 19181.75 20352.22 4154.62 o
9 12 5 87709.57 77216.91 7842.86 o
0 13 5 44668.14 62646.38 6625.84 o
2 13 5 217191.81 232077.28 14342.86 o
4 13 5 158276.53 166542.41 8815.56 o
6 13 5 5782.22 186.37 3538.74 o
8 13 5 37679.42 48603.96 7877.02 o
1 14 5 19753.48 14801.97 3751.16 o
3 14 5 29424.35 22905.82 4613.10 o
5 14 5 31964.62 41572.25 5335.78 o
7 14 5 4004.41 6251.05 4791.52 o
0 15 5 2974.67 568.27 5486.17 o
2 15 5 5548.25 6618.34 4397.14 o
4 15 5 5473.65 799.25 4794.06 o
0 0 6 3475923.25 3298676.00 281060.97 o
1 1 6 228422.98 226011.50 10344.60 o
0 2 6 814984.38 824470.88 35636.91 o
2 2 6 97291.26 103480.61 4766.28 o
1 3 6 391.58 -334.10 804.82 o
3 3 6 2146347.25 2030754.75 93186.55 o
0 4 6 571.75 2248.47 2043.77 o
2 4 6 333257.75 324156.59 10304.99 o
4 4 6 26955.75 25740.39 3192.39 o
1 5 6 129225.92 125759.63 4184.35 o
3 5 6 12973.30 10494.34 1549.00 o
5 5 6 1472720.00 1423213.75 61919.39 o
0 6 6 158252.27 148175.33 7941.32 o
2 6 6 112547.10 113710.80 4330.21 o
4 6 6 4160.77 4486.81 1622.45 o
6 6 6 24888.55 16025.76 3473.21 o
1 7 6 1043.21 1858.74 1253.52 o
3 7 6 450796.72 452672.72 14612.21 o
5 7 6 305585.53 317320.34 11461.71 o
7 7 6 341370.88 346909.56 18272.40 o
0 8 6 51170.88 53896.70 4228.95 o
2 8 6 115801.63 115723.48 5237.27 o
4 8 6 206475.81 216298.22 9267.98 o
6 8 6 18209.10 14389.57 3123.74 o
8 8 6 252966.47 232193.78 15182.13 o
1 9 6 190265.64 182304.27 7545.48 o
3 9 6 37861.16 35731.74 3478.09 o
5 9 6 188091.80 189072.36 8558.18 o
7 9 6 769.20 2197.58 2721.67 o
9 9 6 304751.41 308309.12 22800.38 o
0 10 6 266229.94 262823.75 15429.02 o
2 10 6 671848.62 683317.69 22664.38 o
4 10 6 11489.36 5674.55 2635.36 o
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