#------------------------------------------------------------------------------
#$Date: 2016-04-06 17:08:40 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181907 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/07/2240755.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2240755
_cell_angle_alpha                90.000
_cell_angle_beta                 92.074
_cell_angle_gamma                90.000
_cell_length_a                   13.7387
_cell_length_b                   5.2701
_cell_length_c                   14.7588
_exptl_crystal_F_000             1229.60
_reflns_d_resolution_high        0.7110
_cod_data_source_file            br2250modelIIsup3.hkl
_cod_data_source_block           modelII
#BEGIN Tags that were not found in dictionaries:
_shelx_title
' Usovit-analoge Verbindung Ba(Ca,Fe)AlF7 in C2/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            506.57
_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, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+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
2 0 0 7792.02 7146.10 198.69 o
4 0 0 515.20 495.97 33.94 o
6 0 0 70596.61 78404.77 2591.17 o
8 0 0 951.47 895.47 42.63 o
10 0 0 87799.96 94644.80 1594.31 o
12 0 0 410.46 553.27 45.87 o
14 0 0 166.95 186.33 43.69 o
16 0 0 65583.26 71501.30 570.07 o
18 0 0 3753.09 4167.07 204.23 o
1 1 0 6348.40 6363.58 42.45 o
3 1 0 240861.36 236389.05 1834.97 o
5 1 0 43164.61 42784.94 210.69 o
7 1 0 33645.38 31095.43 1113.19 o
9 1 0 1599.15 1447.44 64.63 o
11 1 0 12102.04 11091.61 967.84 o
13 1 0 66440.36 69348.99 4290.22 o
15 1 0 2922.57 3226.12 133.18 o
17 1 0 301.81 455.12 86.76 o
19 1 0 12807.36 14075.31 251.95 o
0 2 0 187139.81 189271.89 495.71 o
2 2 0 10298.92 10751.99 162.44 o
4 2 0 60009.05 62671.83 202.77 o
6 2 0 40019.82 38888.72 275.61 o
8 2 0 13891.07 13328.52 125.43 o
10 2 0 63087.07 57944.23 2440.03 o
12 2 0 46.05 53.30 34.74 o
14 2 0 820.25 931.59 96.16 o
16 2 0 42101.80 40765.09 4327.33 o
18 2 0 3358.63 3742.85 94.61 o
1 3 0 303.26 303.86 14.72 o
3 3 0 99938.73 106682.03 2813.08 o
5 3 0 7543.80 7688.65 85.29 o
7 3 0 12920.28 12478.29 118.33 o
9 3 0 235.86 284.25 44.93 o
11 3 0 505.78 545.47 29.35 o
13 3 0 52457.62 45636.36 3792.67 o
15 3 0 3429.12 2884.71 426.75 o
17 3 0 11.10 108.69 32.39 o
0 4 0 84232.38 82157.30 408.35 o
2 4 0 7810.47 8566.71 130.74 o
4 4 0 503.93 512.81 26.11 o
6 4 0 14393.00 14660.08 355.24 o
8 4 0 175.04 192.62 20.55 o
10 4 0 16446.30 15279.02 282.51 o
12 4 0 1882.51 1809.80 47.52 o
14 4 0 939.67 834.57 89.14 o
16 4 0 13687.87 10257.30 1881.65 o
1 5 0 556.97 533.30 22.53 o
3 5 0 20769.24 21974.45 617.79 o
5 5 0 276.05 359.09 30.86 o
7 5 0 6985.55 7013.80 358.68 o
9 5 0 2217.27 2067.71 95.76 o
11 5 0 548.12 525.19 47.45 o
13 5 0 7217.93 6214.14 168.94 o
0 6 0 5014.32 5097.78 133.00 o
2 6 0 435.82 455.77 26.62 o
4 6 0 209.56 224.31 38.14 o
6 6 0 597.98 645.72 28.77 o
8 6 0 118.75 119.15 29.87 o
10 6 0 2630.45 2589.54 102.69 o
1 7 0 420.35 454.04 30.95 o
3 7 0 1300.69 1172.09 42.08 o
5 7 0 1852.71 1964.43 45.03 o
-19 1 1 811.34 893.27 44.18 o
-17 1 1 447.38 516.33 63.14 o
-15 1 1 1953.79 2050.99 94.26 o
-13 1 1 1773.40 1832.88 157.58 o
-11 1 1 620.89 585.90 54.76 o
-9 1 1 193.38 175.30 30.35 o
-7 1 1 22931.13 22786.20 514.76 o
-5 1 1 644.20 546.58 16.73 o
-3 1 1 1409.74 1379.89 20.54 o
-1 1 1 4462.87 4763.01 120.65 o
1 1 1 2782.79 3260.27 113.24 o
3 1 1 6034.70 5872.25 56.35 o
5 1 1 11092.86 11439.14 112.72 o
7 1 1 745.64 759.45 42.66 o
9 1 1 60.29 76.44 23.83 o
11 1 1 791.90 861.31 32.22 o
13 1 1 7470.72 7659.34 350.42 o
15 1 1 169.73 173.08 34.44 o
17 1 1 470.04 555.28 67.02 o
19 1 1 1344.30 1585.79 51.35 o
-18 2 1 1675.95 1803.75 118.76 o
-16 2 1 1271.04 1232.03 115.82 o
-14 2 1 607.23 538.09 93.83 o
-12 2 1 6164.37 5147.87 507.32 o
-10 2 1 8782.76 8391.58 309.22 o
-8 2 1 3934.59 3677.93 83.87 o
-6 2 1 846.05 846.07 20.12 o
-4 2 1 36333.95 36546.84 558.36 o
-2 2 1 7885.32 7877.41 66.17 o
0 2 1 3709.53 3753.74 76.35 o
2 2 1 8513.96 10231.88 274.68 o
4 2 1 12113.75 12356.01 89.34 o
6 2 1 9247.39 8877.36 106.00 o
8 2 1 1050.78 967.07 25.88 o
10 2 1 1802.99 1642.26 55.70 o
12 2 1 3003.51 2715.78 336.45 o
14 2 1 6603.42 5411.03 784.49 o
16 2 1 2610.24 2681.00 294.52 o
18 2 1 1067.51 1068.56 47.59 o
-17 3 1 5619.55 4849.12 758.31 o
-15 3 1 2619.18 2319.27 318.93 o
-13 3 1 4567.99 4087.24 327.70 o
-11 3 1 574.10 551.99 39.99 o
-9 3 1 744.11 722.80 25.10 o
-7 3 1 49577.61 47462.86 644.97 o
-5 3 1 6641.85 6723.74 81.39 o
-3 3 1 23562.75 24475.87 687.63 o
-1 3 1 10188.27 11010.52 253.10 o
1 3 1 6581.88 6793.14 238.86 o
3 3 1 32247.57 34644.02 967.63 o
5 3 1 1515.53 1554.04 30.63 o
7 3 1 132.07 168.06 16.78 o
9 3 1 47239.15 43209.50 690.01 o
11 3 1 5364.24 5010.44 163.50 o
13 3 1 5919.77 5215.63 574.76 o
15 3 1 1166.26 966.50 157.56 o
17 3 1 594.82 612.11 50.44 o
-16 4 1 976.75 865.44 83.99 o
-14 4 1 1718.52 1569.20 135.37 o
-12 4 1 8443.94 7415.10 142.63 o
-10 4 1 14675.97 13846.90 445.37 o
-8 4 1 1170.04 1163.36 29.01 o
-6 4 1 1757.38 1668.67 40.66 o
-4 4 1 20704.49 21827.92 554.64 o
-2 4 1 45363.45 48780.80 1211.84 o
0 4 1 23805.98 24850.27 312.33 o
2 4 1 13.33 62.55 16.07 o
4 4 1 7535.29 7854.13 231.33 o
6 4 1 26702.60 27085.93 744.83 o
8 4 1 9228.80 8809.55 159.30 o
10 4 1 890.37 886.76 37.99 o
12 4 1 9523.88 8511.47 366.67 o
14 4 1 9766.67 8281.20 762.14 o
16 4 1 7784.47 5893.88 1127.29 o
-13 5 1 9261.71 8516.73 288.31 o
-11 5 1 225.41 178.57 34.89 o
-9 5 1 5649.76 5603.24 138.98 o
-7 5 1 33796.21 34307.48 1377.40 o
-5 5 1 9676.69 10333.24 386.61 o
-3 5 1 14079.84 14913.41 247.12 o
-1 5 1 9176.93 9305.24 169.36 o
1 5 1 17340.96 17359.87 227.60 o
3 5 1 22668.14 23891.34 549.41 o
5 5 1 807.41 891.17 34.03 o
7 5 1 51.78 24.30 23.11 o
9 5 1 23872.65 23963.25 812.52 o
11 5 1 8194.06 8010.41 417.62 o
13 5 1 9669.11 9091.27 533.27 o
-10 6 1 18469.99 18485.30 670.46 o
-8 6 1 2749.24 2864.84 98.00 o
-6 6 1 330.96 487.56 27.87 o
-4 6 1 24131.16 25085.87 423.14 o
-2 6 1 13754.88 14260.82 154.80 o
0 6 1 11167.81 11331.94 212.64 o
2 6 1 29.96 73.20 25.68 o
4 6 1 3469.61 3488.80 50.99 o
6 6 1 19819.96 20698.08 558.77 o
8 6 1 5662.22 5964.68 114.05 o
10 6 1 1492.06 1526.15 43.07 o
-5 7 1 11061.35 11090.64 156.91 o
-3 7 1 1437.50 1501.10 39.91 o
-1 7 1 4266.64 4428.19 65.81 o
1 7 1 7852.88 8057.07 112.44 o
3 7 1 11959.47 12170.10 266.35 o
5 7 1 1256.30 1267.56 39.64 o
-18 0 2 24.42 -4.58 83.31 o
-16 0 2 11153.73 12206.92 248.67 o
-14 0 2 19174.81 20559.00 570.00 o
-12 0 2 36009.80 37744.54 942.69 o
-10 0 2 35109.32 38713.71 537.35 o
-8 0 2 2105.60 2221.83 59.45 o
-6 0 2 103041.02 99261.10 1854.84 o
-4 0 2 78416.99 73103.02 2100.70 o
-2 0 2 10947.05 10908.59 100.33 o
0 0 2 3091.83 3130.67 38.83 o
2 0 2 11175.85 10615.92 164.81 o
4 0 2 108075.16 109290.87 1811.87 o
6 0 2 244823.58 242337.25 5157.26 o
8 0 2 470.20 538.76 38.87 o
10 0 2 65096.65 79064.45 1042.28 o
12 0 2 29475.54 33848.87 371.86 o
14 0 2 17393.97 19497.25 296.55 o
16 0 2 4208.44 4759.23 98.92 o
18 0 2 2582.40 2717.50 79.28 o
-19 1 2 14955.24 15698.55 211.03 o
-17 1 2 11830.98 11961.06 403.94 o
-15 1 2 7505.26 7889.19 471.73 o
-13 1 2 8.23 45.02 31.93 o
-11 1 2 18720.82 17545.04 1746.19 o
-9 1 2 80095.06 75339.46 3787.47 o
-7 1 2 62974.52 58965.03 820.22 o
-5 1 2 24844.86 25834.74 140.32 o
-3 1 2 68397.10 67632.70 378.21 o
-1 1 2 39723.43 39040.84 1067.47 o
1 1 2 57789.47 65080.38 1004.28 o
3 1 2 29456.46 28890.00 238.03 o
5 1 2 9508.25 9185.00 274.41 o
7 1 2 144683.23 137073.19 8668.96 o
9 1 2 64106.21 59899.10 4926.80 o
11 1 2 20469.61 19912.04 919.91 o
13 1 2 2326.98 2674.75 50.31 o
15 1 2 4460.62 4971.80 202.23 o
17 1 2 17216.75 18326.46 387.84 o
-18 2 2 1220.79 1213.24 85.06 o
-16 2 2 7319.52 7015.06 673.12 o
-14 2 2 14870.27 13344.34 1774.93 o
-12 2 2 27020.22 23721.32 1912.29 o
-10 2 2 22137.73 20579.79 351.86 o
-8 2 2 37.88 544.93 179.78 o
-6 2 2 78515.44 77166.49 267.27 o
-4 2 2 57318.79 57083.32 357.34 o
-2 2 2 37530.90 38575.13 586.10 o
0 2 2 5466.63 6222.51 178.98 o
2 2 2 71134.12 77514.13 2105.88 o
4 2 2 77349.86 76588.13 682.27 o
6 2 2 30059.18 28163.64 528.50 o
8 2 2 1487.64 1349.00 26.87 o
10 2 2 20622.94 18622.72 1173.42 o
12 2 2 18023.05 15221.27 1977.54 o
14 2 2 14200.88 11823.60 1576.31 o
16 2 2 2837.80 2870.28 310.77 o
18 2 2 306.69 330.97 41.68 o
-17 3 2 5520.36 4718.57 723.81 o
-15 3 2 3107.53 2770.80 472.29 o
-13 3 2 4.59 21.47 53.04 o
-11 3 2 552.69 598.53 36.01 o
-9 3 2 58595.27 54769.19 1329.07 o
-7 3 2 50960.40 48172.48 240.59 o
-5 3 2 739.40 757.53 44.97 o
-3 3 2 44508.80 45401.25 359.19 o
-1 3 2 11043.01 11919.07 290.04 o
1 3 2 32659.55 33609.07 754.40 o
3 3 2 3161.09 3211.15 99.08 o
5 3 2 1731.54 1740.95 41.13 o
7 3 2 48334.83 46227.43 556.87 o
9 3 2 29046.91 26769.98 884.52 o
11 3 2 8152.35 7285.76 546.20 o
13 3 2 2875.04 2463.76 308.46 o
15 3 2 763.50 663.21 95.48 o
17 3 2 7466.91 6321.17 1023.16 o
-16 4 2 4924.90 4092.41 566.00 o
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-10 4 2 4496.33 4200.85 97.92 o
-8 4 2 68.63 108.62 31.19 o
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-4 4 2 7821.64 8178.97 242.48 o
-2 4 2 2671.70 2806.47 69.19 o
0 4 2 906.56 1044.71 33.67 o
2 4 2 65.93 98.46 17.70 o
4 4 2 43355.65 44606.61 1394.90 o
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8 4 2 1934.74 1899.37 57.32 o
10 4 2 18057.14 16171.64 387.15 o
12 4 2 4371.31 4019.72 237.48 o
14 4 2 4671.31 3835.50 452.96 o
16 4 2 172.95 126.83 42.48 o
-13 5 2 1143.38 1040.98 42.25 o
-11 5 2 93.52 56.34 26.77 o
-9 5 2 10209.26 9429.20 227.31 o
-7 5 2 985.75 1036.09 37.32 o
-5 5 2 1270.68 1353.67 45.28 o
-3 5 2 5379.10 5637.05 83.36 o
-1 5 2 740.85 882.17 44.93 o
1 5 2 10004.23 10285.07 211.53 o
3 5 2 1088.80 1163.65 27.78 o
5 5 2 1263.40 1377.47 36.60 o
7 5 2 18714.01 18452.91 390.58 o
9 5 2 4063.64 4012.78 129.57 o
11 5 2 1205.95 1164.90 36.42 o
13 5 2 688.95 636.33 78.14 o
-10 6 2 321.26 409.09 48.62 o
-8 6 2 1160.49 1143.37 47.38 o
-6 6 2 5916.86 5983.92 258.96 o
-4 6 2 833.49 977.34 49.30 o
-2 6 2 1527.98 1642.75 42.84 o
0 6 2 3906.16 4058.87 60.16 o
2 6 2 2883.53 2959.48 45.89 o
4 6 2 6687.17 6622.63 99.74 o
6 6 2 365.28 398.75 27.31 o
8 6 2 1389.16 1429.63 37.72 o
10 6 2 4403.13 4215.96 128.47 o
-5 7 2 83.28 79.94 33.12 o
-3 7 2 4761.70 4649.99 71.86 o
-1 7 2 964.79 1055.84 36.59 o
1 7 2 270.84 289.59 28.47 o
3 7 2 284.86 357.35 29.70 o
5 7 2 3210.91 3238.20 53.17 o
-17 1 3 13.30 31.38 53.07 o
-15 1 3 217.67 227.41 32.79 o
-13 1 3 1257.37 1248.58 94.00 o
-11 1 3 778.63 741.42 71.65 o
-9 1 3 17112.05 16199.83 516.45 o
-7 1 3 301.53 335.23 25.93 o
-5 1 3 15225.84 15225.37 634.09 o
-3 1 3 1675.75 1611.61 34.53 o
-1 1 3 8124.07 8020.39 211.69 o
1 1 3 16.54 52.27 15.15 o
3 1 3 292.51 335.15 16.50 o
5 1 3 4211.52 3715.91 142.84 o
7 1 3 13647.70 12836.12 425.19 o
9 1 3 947.73 838.59 47.30 o
11 1 3 7064.65 6991.14 308.86 o
13 1 3 54.46 42.39 66.74 o
15 1 3 9.26 53.96 49.13 o
17 1 3 193.36 250.58 34.77 o
-18 2 3 2358.92 2234.35 133.02 o
-16 2 3 1288.21 1308.93 97.20 o
-14 2 3 7352.23 6411.19 836.75 o
-12 2 3 874.86 871.33 51.80 o
-10 2 3 19.68 42.88 32.58 o
-8 2 3 8373.64 8109.49 104.98 o
-6 2 3 1716.27 1713.97 26.66 o
-4 2 3 17479.38 17654.85 373.64 o
-2 2 3 3091.01 3230.87 45.46 o
0 2 3 14760.84 15871.50 347.56 o
2 2 3 71256.45 80085.36 1565.86 o
4 2 3 1945.92 1882.64 64.83 o
6 2 3 15.42 38.58 20.08 o
8 2 3 2365.04 2315.25 33.72 o
10 2 3 3115.90 2711.29 247.22 o
12 2 3 5978.75 4651.49 877.88 o
14 2 3 347.49 364.69 68.83 o
16 2 3 120.65 111.86 33.10 o
18 2 3 3684.86 4361.38 249.82 o
-17 3 3 7159.49 6240.58 866.39 o
-15 3 3 165.08 160.13 74.51 o
-13 3 3 6267.76 5616.59 338.35 o
-11 3 3 15122.83 13692.95 402.04 o
-9 3 3 3322.02 3068.21 47.64 o
-7 3 3 5.37 12.12 36.97 o
-5 3 3 5868.77 5933.55 80.63 o
-3 3 3 6597.36 6673.20 77.77 o
-1 3 3 54838.96 57566.78 1212.24 o
1 3 3 149.42 206.07 14.03 o
3 3 3 7166.51 7839.48 225.44 o
5 3 3 19019.71 19284.01 611.06 o
7 3 3 9714.80 9117.91 177.59 o
9 3 3 9113.31 8328.15 255.45 o
11 3 3 280.77 344.32 34.55 o
13 3 3 2203.97 1881.75 256.09 o
15 3 3 15255.22 10702.68 2349.48 o
17 3 3 655.40 600.83 82.63 o
-16 4 3 3469.40 2787.30 336.81 o
-14 4 3 18212.54 15959.24 653.20 o
-12 4 3 1478.29 1506.48 82.45 o
-10 4 3 437.59 540.97 26.80 o
-8 4 3 18616.24 18153.73 311.48 o
-6 4 3 13579.04 13215.42 132.17 o
-4 4 3 7632.26 7989.76 154.61 o
-2 4 3 21602.41 23342.25 615.50 o
0 4 3 2104.23 2274.85 47.49 o
2 4 3 31734.41 32233.81 185.50 o
4 4 3 26272.47 27590.67 767.01 o
6 4 3 3681.26 3866.67 149.09 o
8 4 3 12079.26 11755.25 442.93 o
10 4 3 8391.56 7937.21 321.10 o
12 4 3 13306.72 11269.80 989.37 o
14 4 3 54.75 54.28 40.55 o
-13 5 3 2515.69 2336.37 108.47 o
-11 5 3 15796.12 14791.92 177.08 o
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-3 5 3 17643.25 18838.47 621.40 o
-1 5 3 22853.08 23976.74 267.44 o
1 5 3 418.93 444.58 22.11 o
3 5 3 376.48 421.82 21.90 o
5 5 3 30194.13 31148.37 738.29 o
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11 5 3 2576.13 2414.06 159.96 o
13 5 3 2694.83 2525.70 271.54 o
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-8 6 3 10077.03 10636.40 320.88 o
-6 6 3 8663.88 8961.80 253.08 o
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2 6 3 40205.06 40311.41 369.28 o
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-12 0 4 28753.88 29060.99 706.48 o
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-6 0 4 353.29 675.47 121.53 o
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-2 0 4 161838.63 169899.31 3878.01 o
0 0 4 112019.41 106171.76 530.23 o
2 0 4 108156.53 120689.16 827.47 o
4 0 4 12372.42 11229.45 339.48 o
6 0 4 2958.99 2879.71 60.05 o
8 0 4 65230.76 67076.87 866.48 o
10 0 4 10017.44 11591.50 204.49 o
12 0 4 15564.55 19163.92 529.59 o
14 0 4 26603.91 32137.31 1042.34 o
16 0 4 22334.03 26713.14 457.59 o
18 0 4 20719.32 23918.53 741.55 o
-17 1 4 4764.71 4941.04 229.34 o
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-5 1 4 227323.47 217115.38 6320.80 o
-3 1 4 38344.01 37244.04 249.35 o
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1 1 4 80656.77 82060.48 2306.14 o
3 1 4 36552.07 34640.16 784.82 o
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11 1 4 60449.47 62461.83 1119.91 o
13 1 4 27718.94 31348.81 401.47 o
15 1 4 23393.40 27020.46 645.88 o
17 1 4 6255.65 7585.35 123.95 o
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