#------------------------------------------------------------------------------
#$Date: 2025-05-29 05:16:57 +0300 (Thu, 29 May 2025) $
#$Revision: 299862 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/31/28/2312855.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_2312855
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   5.1748
_cell_length_b                   5.1748
_cell_length_c                   22.1118
_exptl_crystal_F_000             274.00
_reflns_d_resolution_high        0.7494
_cod_data_source_file            woz5005EAMn_HTsup2.hkl
_cod_data_source_block           EAMn_HT
_shelx_title                     ' EAMn_RT.res in I4/mmm'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            101.70
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z'
'y, -x, z'
'-x, y, -z'
'x, -y, -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'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+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'
'-x, -y, -z'
'x, y, -z'
'y, -x, -z'
'-y, x, -z'
'x, -y, z'
'-x, y, 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'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+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'
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 7584.24 8107.63 117.82 o
2 2 0 10343.07 9928.89 151.00 o
1 3 0 549.31 600.86 6.32 o
3 3 0 60.26 84.31 3.41 o
0 4 0 3611.65 3728.36 42.82 o
2 4 0 2472.44 2439.36 21.41 o
4 4 0 962.22 841.27 14.67 o
1 5 0 3.04 10.45 1.17 o
3 5 0 0.38 28.10 1.80 o
0 6 0 758.05 688.58 15.71 o
2 6 0 605.53 501.36 6.37 o
0 1 1 2729.74 2496.48 16.91 o
1 2 1 1870.64 1973.66 9.44 o
0 3 1 1091.54 1205.57 11.32 o
2 3 1 755.84 771.78 4.74 o
1 4 1 659.30 672.68 6.27 o
3 4 1 313.15 292.42 2.46 o
0 5 1 216.86 199.09 3.36 o
2 5 1 162.76 153.47 1.63 o
4 5 1 90.43 73.95 1.76 o
1 6 1 196.92 175.50 2.13 o
3 6 1 112.93 87.32 1.62 o
1 1 2 243.22 248.62 1.77 o
0 2 2 6593.48 6846.75 44.66 o
2 2 2 4570.67 4404.55 39.32 o
1 3 2 0.67 3.02 0.26 o
3 3 2 0.56 1.53 0.59 o
0 4 2 2408.37 2403.52 18.85 o
2 4 2 1833.42 1813.01 10.86 o
4 4 2 885.85 882.80 9.45 o
1 5 2 1.14 2.35 0.63 o
3 5 2 1.06 1.93 0.77 o
0 6 2 699.29 695.85 8.21 o
2 6 2 556.71 544.80 4.42 o
0 1 3 2857.75 3017.59 19.12 o
1 2 3 1067.49 923.76 4.22 o
0 3 3 519.35 476.12 3.99 o
2 3 3 368.99 370.19 3.43 o
1 4 3 366.66 359.58 3.28 o
3 4 3 191.78 211.54 3.45 o
0 5 3 115.70 121.74 2.08 o
2 5 3 104.94 109.34 1.48 o
4 5 3 68.54 95.04 2.06 o
1 6 3 155.71 164.62 2.03 o
3 6 3 98.78 110.81 1.77 o
0 0 4 550.91 497.80 5.39 o
1 1 4 4291.13 4556.85 26.47 o
0 2 4 1019.00 956.77 6.14 o
2 2 4 1118.43 1036.87 14.85 o
1 3 4 594.72 628.54 4.63 o
3 3 4 157.30 175.37 3.54 o
0 4 4 978.54 953.62 8.41 o
2 4 4 854.04 897.92 12.70 o
4 4 4 549.49 714.59 8.02 o
1 5 4 54.29 56.35 1.25 o
3 5 4 21.27 21.94 1.09 o
0 6 4 480.73 514.30 6.02 o
2 6 4 394.79 458.20 5.21 o
0 1 5 19.55 34.18 0.40 o
1 2 5 168.39 165.14 1.28 o
0 3 5 229.27 185.80 1.94 o
2 3 5 289.74 267.78 5.51 o
1 4 5 345.47 324.21 3.90 o
3 4 5 249.85 299.64 7.16 o
0 5 5 154.52 169.78 3.04 o
2 5 5 142.89 179.56 3.54 o
4 5 5 103.44 157.45 3.91 o
1 6 5 184.68 210.89 2.51 o
3 6 5 120.62 166.62 3.16 o
0 0 6 3417.96 3439.72 61.76 o
1 1 6 876.87 1040.34 5.96 o
0 2 6 2090.48 1968.37 12.74 o
2 2 6 1560.31 1522.47 12.31 o
1 3 6 167.30 180.20 1.46 o
3 3 6 66.12 65.97 1.53 o
0 4 6 1056.99 1073.33 9.96 o
2 4 6 842.19 835.73 6.58 o
4 4 6 441.62 499.94 5.83 o
1 5 6 27.49 32.03 0.81 o
3 5 6 15.54 13.79 1.06 o
0 6 6 394.18 414.88 5.21 o
2 6 6 328.46 348.85 3.34 o
0 1 7 2868.87 2978.95 17.00 o
1 2 7 1519.10 1414.03 6.60 o
0 3 7 790.08 786.00 7.45 o
2 3 7 557.41 549.33 3.81 o
1 4 7 463.32 466.91 3.44 o
3 4 7 260.24 250.73 2.61 o
0 5 7 175.47 172.33 2.64 o
2 5 7 145.05 140.18 1.76 o
4 5 7 92.94 82.02 1.97 o
1 6 7 166.61 159.36 2.16 o
3 6 7 104.47 97.69 2.65 o
1 1 8 795.74 749.81 4.35 o
0 2 8 6518.68 6545.13 38.07 o
2 2 8 4101.48 4149.23 29.50 o
1 3 8 226.53 223.49 1.88 o
3 3 8 62.40 55.70 2.72 o
0 4 8 1945.68 1971.22 18.63 o
2 4 8 1403.84 1362.53 9.10 o
4 4 8 614.41 547.08 6.31 o
1 5 8 18.00 17.97 0.85 o
3 5 8 6.19 5.93 0.88 o
0 6 8 491.49 465.37 6.14 o
2 6 8 384.53 339.96 3.62 o
0 1 9 3676.08 3611.48 18.82 o
1 2 9 1936.05 2016.60 10.50 o
0 3 9 1069.34 1137.02 8.57 o
2 3 9 671.47 691.41 5.66 o
1 4 9 516.92 526.44 3.97 o
3 4 9 218.59 196.44 4.36 o
0 5 9 162.51 158.23 2.47 o
2 5 9 122.37 101.92 1.97 o
4 5 9 57.09 40.04 2.08 o
1 6 9 117.80 103.87 1.87 o
1 1 10 1691.26 1572.19 8.79 o
0 2 10 6012.27 5980.16 40.67 o
2 2 10 3620.42 3612.18 28.05 o
1 3 10 360.46 343.68 2.54 o
3 3 10 111.97 98.91 2.70 o
0 4 10 1604.58 1662.55 15.15 o
2 4 10 1171.62 1183.09 8.07 o
4 4 10 531.55 478.91 5.76 o
1 5 10 37.30 31.56 0.84 o
3 5 10 19.08 13.31 1.17 o
0 6 10 412.31 393.23 5.54 o
2 6 10 323.89 289.94 3.04 o
0 1 11 695.09 639.01 3.66 o
1 2 11 507.58 510.12 2.89 o
0 3 11 330.77 340.97 3.19 o
2 3 11 247.72 249.98 2.13 o
1 4 11 233.74 230.65 2.10 o
3 4 11 129.41 126.20 1.79 o
0 5 11 101.65 91.50 2.12 o
2 5 11 81.73 75.44 1.35 o
4 5 11 50.88 51.65 1.88 o
1 6 11 96.42 91.47 1.90 o
0 0 12 1287.42 1365.32 14.87 o
1 1 12 8.32 14.42 0.67 o
0 2 12 1032.10 1049.11 7.98 o
2 2 12 860.48 835.09 6.24 o
1 3 12 2.10 2.25 0.39 o
3 3 12 4.76 3.08 0.87 o
0 4 12 582.95 578.24 6.45 o
2 4 12 483.98 480.53 3.76 o
4 4 12 258.72 281.82 4.34 o
1 5 12 3.22 3.89 0.76 o
3 5 12 3.51 6.39 0.99 o
0 6 12 207.90 232.48 3.87 o
0 1 13 8.63 10.83 0.43 o
1 2 13 22.99 21.85 0.48 o
0 3 13 50.75 40.49 0.86 o
2 3 13 78.88 90.67 2.35 o
1 4 13 111.09 110.77 1.48 o
3 4 13 98.75 140.29 1.98 o
0 5 13 76.07 75.61 2.08 o
2 5 13 70.22 95.48 2.22 o
1 6 13 85.03 102.91 1.84 o
0 0 14 61.46 73.39 1.50 o
1 1 14 296.71 321.49 2.50 o
0 2 14 103.13 104.70 1.29 o
2 2 14 134.83 136.85 2.44 o
1 3 14 63.49 74.75 0.99 o
3 3 14 10.10 23.23 1.49 o
0 4 14 162.93 166.16 2.86 o
2 4 14 160.78 187.13 2.14 o
4 4 14 128.16 181.17 4.58 o
1 5 14 0.57 2.42 0.77 o
3 5 14 0.85 13.13 1.16 o
0 6 14 120.75 134.23 3.27 o
0 1 15 339.81 340.07 2.60 o
1 2 15 283.44 263.47 1.93 o
0 3 15 222.00 194.44 2.28 o
2 3 15 190.18 172.43 1.74 o
1 4 15 175.35 160.40 1.84 o
3 4 15 111.40 108.45 1.68 o
0 5 15 87.48 93.79 2.40 o
2 5 15 77.34 78.23 1.51 o
0 0 16 462.75 475.13 6.50 o
1 1 16 17.02 20.06 0.57 o
0 2 16 506.96 522.99 4.66 o
2 2 16 454.82 446.84 3.94 o
1 3 16 38.30 38.26 0.69 o
3 3 16 30.14 31.11 1.52 o
0 4 16 320.07 325.41 4.27 o
2 4 16 256.84 258.91 2.67 o
4 4 16 141.72 139.15 3.32 o
1 5 16 21.34 27.32 1.24 o
0 1 17 1560.75 1521.19 9.72 o
1 2 17 843.46 844.28 5.10 o
0 3 17 472.31 498.31 4.85 o
2 3 17 304.46 310.79 3.24 o
1 4 17 218.13 226.15 2.29 o
3 4 17 113.75 103.27 1.70 o
0 5 17 98.36 95.90 2.47 o
2 5 17 77.23 69.96 1.87 o
0 0 18 2828.08 2718.72 31.93 o
1 1 18 1125.96 1156.82 8.94 o
0 2 18 1631.69 1643.61 12.46 o
2 2 18 1005.92 1019.49 9.35 o
1 3 18 347.81 374.97 2.99 o
3 3 18 125.51 128.48 4.43 o
0 4 18 447.29 439.46 5.72 o
2 4 18 310.77 291.49 4.39 o
1 5 18 55.57 52.32 1.44 o
0 1 19 414.76 379.60 3.27 o
1 2 19 339.72 331.98 2.56 o
0 3 19 245.30 248.87 2.95 o
2 3 19 186.02 187.47 2.01 o
1 4 19 144.54 147.63 1.93 o
3 4 19 84.37 81.58 2.55 o
0 5 19 72.94 73.71 2.47 o
0 0 20 796.85 776.62 11.65 o
1 1 20 293.13 319.63 3.12 o
0 2 20 523.92 488.08 4.86 o
2 2 20 365.33 343.01 4.69 o
1 3 20 123.56 139.09 1.69 o
3 3 20 64.78 72.44 2.20 o
0 4 20 203.96 187.55 3.08 o
2 4 20 157.30 151.19 2.00 o
0 1 21 43.10 46.75 0.94 o
1 2 21 32.79 34.97 0.75 o
0 3 21 27.80 28.94 1.41 o
2 3 21 26.26 30.37 0.98 o
1 4 21 27.96 31.62 1.18 o
0 0 22 23.67 36.75 1.74 o
1 1 22 45.14 35.15 0.96 o
0 2 22 1.01 1.57 0.75 o
2 2 22 16.22 14.18 1.05 o
1 3 22 0.70 2.80 0.65 o
3 3 22 11.32 25.94 2.34 o
0 4 22 39.36 34.42 1.90 o
2 4 22 44.37 44.29 1.71 o
0 1 23 6.02 6.56 0.73 o
1 2 23 1.00 2.39 0.62 o
0 3 23 8.17 9.97 1.21 o
2 3 23 15.25 23.18 1.09 o
1 4 23 22.86 26.57 1.31 o
0 0 24 41.29 22.87 1.80 o
1 1 24 6.63 18.65 1.12 o
0 2 24 27.62 19.89 1.50 o
2 2 24 23.57 18.37 1.19 o
1 3 24 5.02 13.51 0.91 o
0 4 24 20.69 17.86 1.64 o
0 1 25 137.60 157.52 2.78 o
1 2 25 116.34 125.16 1.68 o
0 3 25 91.76 102.82 2.60 o
2 3 25 74.27 77.79 1.81 o
0 0 26 225.02 186.61 6.23 o
1 1 26 142.67 185.97 2.91 o
0 2 26 160.90 134.69 2.64 o
2 2 26 114.91 96.09 2.74 o
1 3 26 71.48 99.05 1.80 o
0 1 27 382.54 374.96 4.66 o
1 2 27 215.40 228.97 2.73 o
0 0 28 263.99 227.00 14.73 o
1 1 28 183.26 238.87 3.80 o
0 2 28 170.66 148.61 3.13 o
0 1 29 27.28 33.37 1.67 o