#------------------------------------------------------------------------------
#$Date: 2023-03-31 16:04:01 +0300 (Fri, 31 Mar 2023) $
#$Revision: 282155 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/27/2022708.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_2022708
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   6.3116
_cell_length_b                   6.3116
_cell_length_c                   9.9440
_exptl_crystal_F_000             670.00
_reflns_d_resolution_high        0.8011
_cod_data_source_file            yp3224Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' MgMn4Ga18 in P4/mmm'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            302.38
_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, -y, -z'
'x, y, -z'
'y, -x, -z'
'-y, x, -z'
'x, -y, z'
'-x, y, z'
'-y, -x, z'
'y, x, z'
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 1 0 847.63 932.41 27.62 o
1 1 0 4629.68 4982.09 69.32 o
0 2 0 2053.96 1950.74 61.71 o
1 2 0 2265.88 2629.22 287.80 o
2 2 0 28785.98 28105.51 354.91 o
0 3 0 4268.96 4208.60 97.45 o
1 3 0 24790.78 24521.45 215.11 o
2 3 0 231.67 237.00 30.33 o
3 3 0 42376.57 41996.41 502.09 o
0 4 0 86788.22 85796.08 941.49 o
1 4 0 0.21 189.86 35.96 o
2 4 0 8660.14 8382.60 108.78 o
3 4 0 1233.08 874.22 62.45 o
4 4 0 24835.07 24387.17 337.57 o
0 5 0 928.06 912.29 71.91 o
1 5 0 95.57 154.52 41.99 o
2 5 0 1938.09 1835.36 90.40 o
3 5 0 1657.85 2120.51 145.25 o
4 5 0 1089.05 1462.86 144.76 o
5 5 0 147.77 190.04 78.60 o
0 6 0 949.93 958.29 87.20 o
1 6 0 68.76 284.13 49.59 o
2 6 0 21046.60 21508.42 249.53 o
3 6 0 200.31 119.89 50.88 o
4 6 0 12.12 44.27 53.52 o
5 6 0 451.74 446.86 68.17 o
0 7 0 1476.90 1441.62 112.03 o
1 7 0 2420.55 2427.64 90.03 o
2 7 0 1680.95 1791.73 215.85 o
3 7 0 4965.44 4958.55 137.38 o
0 0 1 155.34 223.70 31.53 o
0 1 1 4473.48 4736.34 40.68 o
1 1 1 906.95 894.86 23.76 o
0 2 1 1590.48 1645.83 34.85 o
1 2 1 10105.83 10270.34 70.83 o
2 2 1 11.45 -8.88 26.24 o
0 3 1 30403.84 30149.19 253.99 o
1 3 1 306.34 721.53 47.86 o
2 3 1 615.23 664.94 26.79 o
3 3 1 24.07 45.83 31.41 o
0 4 1 4.86 -21.45 31.45 o
1 4 1 153.01 144.32 23.91 o
2 4 1 493.71 976.33 90.83 o
3 4 1 4138.38 4269.80 61.09 o
4 4 1 2.57 -17.37 39.11 o
0 5 1 103.87 127.19 41.43 o
1 5 1 29.62 213.51 31.83 o
2 5 1 4178.16 3897.53 74.73 o
3 5 1 3.07 -29.23 29.23 o
4 5 1 718.82 727.04 40.68 o
5 5 1 8.51 45.57 52.47 o
0 6 1 33.42 -23.36 43.80 o
1 6 1 1607.24 1149.22 144.76 o
2 6 1 7.54 63.45 34.69 o
3 6 1 4315.83 4607.00 79.76 o
4 6 1 23.83 92.40 44.86 o
5 6 1 200.02 301.15 46.68 o
0 7 1 3450.09 3737.95 111.00 o
1 7 1 28.71 104.76 38.89 o
2 7 1 122.21 231.99 42.84 o
3 7 1 2.20 162.59 46.09 o
0 0 2 80.11 83.04 54.97 o
0 1 2 242.39 205.67 15.59 o
1 1 2 8742.89 9194.36 69.71 o
0 2 2 40019.13 40872.10 286.04 o
1 2 2 172.04 306.08 18.53 o
2 2 2 91432.57 91986.01 671.80 o
0 3 2 1046.88 978.53 34.29 o
1 3 2 1442.69 1571.20 31.29 o
2 3 2 1006.31 918.30 28.78 o
3 3 2 10658.78 10526.98 121.26 o
0 4 2 7874.72 7804.33 106.14 o
1 4 2 35.76 42.56 22.31 o
2 4 2 5570.50 5417.73 62.83 o
3 4 2 583.20 851.27 68.23 o
4 4 2 10890.75 11003.53 149.61 o
0 5 2 2008.13 1634.04 59.99 o
1 5 2 7490.76 7850.70 81.95 o
2 5 2 1531.00 1795.88 74.39 o
3 5 2 326.04 368.30 35.43 o
4 5 2 791.06 1146.04 99.48 o
5 5 2 4644.87 4952.10 114.99 o
0 6 2 21075.07 20874.83 248.05 o
1 6 2 62.54 108.12 39.83 o
2 6 2 6069.21 5618.80 84.55 o
3 6 2 456.37 376.16 41.16 o
4 6 2 6014.13 6248.46 95.67 o
0 7 2 1219.64 1209.15 75.62 o
1 7 2 1.95 -12.96 40.24 o
2 7 2 883.00 1029.43 72.97 o
3 7 2 372.37 308.21 45.53 o
0 0 3 252.32 174.38 73.65 o
0 1 3 67.62 57.17 18.52 o
1 1 3 977.72 936.26 26.27 o
0 2 3 6198.83 6050.78 65.72 o
1 2 3 25102.57 25354.41 140.59 o
2 2 3 272.13 310.56 28.06 o
0 3 3 7043.19 6885.35 81.97 o
1 3 3 529.87 552.07 34.62 o
2 3 3 307.52 280.58 19.56 o
3 3 3 311.25 282.48 32.74 o
0 4 3 187.17 176.69 26.25 o
1 4 3 3997.63 3984.02 49.56 o
2 4 3 1688.00 2104.95 184.39 o
3 4 3 51.99 108.86 27.55 o
4 4 3 181.01 201.57 47.04 o
0 5 3 1750.71 971.91 47.72 o
1 5 3 110.90 370.31 32.39 o
2 5 3 18043.83 16712.34 345.60 o
3 5 3 227.77 150.45 32.99 o
4 5 3 3354.41 3749.49 70.56 o
5 5 3 0.55 48.01 59.68 o
0 6 3 1053.24 919.72 64.37 o
1 6 3 240.43 199.26 36.33 o
2 6 3 114.74 215.48 37.92 o
3 6 3 602.00 476.21 44.59 o
4 6 3 406.05 693.61 72.66 o
0 7 3 85.73 225.63 67.71 o
1 7 3 15.83 24.83 41.90 o
2 7 3 247.84 193.62 46.07 o
3 7 3 15.37 87.49 48.06 o
0 0 4 75539.27 75954.05 1626.97 o
0 1 4 4302.62 4132.20 70.11 o
1 1 4 24386.48 24276.69 215.60 o
0 2 4 47252.54 47676.04 351.70 o
1 2 4 1186.77 1459.41 105.90 o
2 2 4 1265.48 1353.83 39.43 o
0 3 4 26.25 47.87 25.24 o
1 3 4 391.81 413.57 21.70 o
2 3 4 2889.58 2794.33 56.24 o
3 3 4 3387.28 3571.75 72.09 o
0 4 4 14095.39 13755.42 140.85 o
1 4 4 1207.55 1199.03 82.35 o
2 4 4 35316.11 34682.29 222.04 o
3 4 4 26.76 235.25 39.65 o
4 4 4 2403.35 2548.30 89.60 o
0 5 4 1922.95 1834.80 68.13 o
1 5 4 11566.80 11731.94 120.02 o
2 5 4 232.60 198.79 32.98 o
3 5 4 1921.66 2044.16 57.60 o
4 5 4 1172.95 1584.01 123.27 o
5 5 4 5539.68 5593.41 155.99 o
0 6 4 2016.72 1959.34 82.55 o
1 6 4 18.76 182.08 40.60 o
2 6 4 2797.94 2709.52 206.04 o
3 6 4 275.57 238.67 43.86 o
4 6 4 3426.34 3206.96 83.78 o
0 7 4 634.98 595.31 74.76 o
1 7 4 260.46 192.06 47.73 o
2 7 4 1277.15 1442.02 110.84 o
0 0 5 13721.20 13424.71 387.66 o
0 1 5 7685.44 7638.33 104.54 o
1 1 5 1447.40 1475.95 42.21 o
0 2 5 683.55 696.20 29.19 o
1 2 5 1760.29 1765.37 27.82 o
2 2 5 7009.73 6816.25 87.16 o
0 3 5 32145.62 32234.60 269.46 o
1 3 5 558.23 893.00 75.84 o
2 3 5 515.27 522.60 28.45 o
3 3 5 561.56 618.34 51.00 o
0 4 5 4262.99 4071.29 83.87 o
1 4 5 14.39 25.85 26.67 o
2 4 5 869.57 1238.20 116.70 o
3 4 5 4639.91 4497.83 77.94 o
4 4 5 1317.65 1236.20 75.77 o
0 5 5 537.58 828.15 62.84 o
1 5 5 129.36 339.62 37.97 o
2 5 5 1426.76 1597.89 53.31 o
3 5 5 25.46 15.09 38.16 o
4 5 5 1655.12 1191.43 135.49 o
5 5 5 23.45 63.49 66.55 o
0 6 5 311.93 347.30 64.46 o
1 6 5 1170.61 1194.44 58.69 o
2 6 5 860.98 781.76 51.20 o
3 6 5 1956.60 1910.53 69.75 o
4 6 5 250.67 650.47 68.89 o
0 7 5 3751.70 3399.82 126.47 o
1 7 5 3.71 126.93 49.29 o
0 0 6 5417.45 5251.93 383.90 o
0 1 6 257.37 306.48 31.58 o
1 1 6 269.26 299.98 31.48 o
0 2 6 30236.97 29776.60 273.29 o
1 2 6 773.51 1206.10 88.67 o
2 2 6 25388.09 25375.02 243.60 o
0 3 6 980.52 860.07 43.87 o
1 3 6 5792.68 5915.98 65.95 o
2 3 6 9.41 -8.16 26.26 o
3 3 6 16353.92 16494.33 207.57 o
0 4 6 46.07 60.92 40.20 o
1 4 6 95.41 157.95 31.09 o
2 4 6 7584.22 7826.86 102.77 o
3 4 6 477.05 579.08 62.37 o
4 4 6 1152.88 1091.29 74.06 o
0 5 6 279.97 293.90 51.84 o
1 5 6 726.33 698.03 43.97 o
2 5 6 965.60 864.43 49.89 o
3 5 6 468.10 485.97 47.69 o
4 5 6 95.12 416.01 54.63 o
0 6 6 21518.39 21749.84 284.23 o
1 6 6 122.12 308.89 47.48 o
2 6 6 323.73 261.51 47.43 o
3 6 6 80.71 159.23 49.34 o
0 0 7 5378.90 5570.96 264.03 o
0 1 7 7132.47 7384.74 111.56 o
1 1 7 12.98 -28.35 28.35 o
0 2 7 4661.85 4355.45 92.71 o
1 2 7 1950.29 1932.00 48.03 o
2 2 7 3886.22 3729.59 82.06 o
0 3 7 14478.47 14429.21 187.49 o
1 3 7 2.43 157.51 32.05 o
2 3 7 3965.81 3443.95 188.69 o
3 3 7 3.56 -4.02 54.60 o
0 4 7 2266.66 2215.22 85.48 o
1 4 7 388.11 463.46 40.41 o
2 4 7 1891.47 2583.31 128.70 o
3 4 7 2176.52 2308.24 69.16 o
4 4 7 1230.58 1165.91 89.57 o
0 5 7 1573.92 1505.72 80.69 o
1 5 7 3.21 181.42 44.03 o
2 5 7 3338.81 3497.83 89.01 o
3 5 7 50.85 61.26 49.87 o
4 5 7 232.42 223.16 55.02 o
0 6 7 1363.87 1618.97 93.65 o
1 6 7 1537.10 1151.11 110.40 o
2 6 7 830.40 733.26 64.26 o
0 0 8 62071.95 62362.02 1447.85 o
0 1 8 678.81 713.71 61.89 o
1 1 8 189.71 243.21 52.48 o
0 2 8 1261.35 1312.41 77.57 o
1 2 8 653.48 722.00 69.76 o
2 2 8 538.31 607.24 63.40 o
0 3 8 1115.39 1029.07 71.06 o
1 3 8 2978.91 3004.41 73.34 o
2 3 8 59.63 106.47 39.54 o
3 3 8 8367.08 8230.07 179.14 o
0 4 8 14348.30 14206.75 227.02 o
1 4 8 66.74 145.17 40.80 o
2 4 8 4753.84 4849.41 97.94 o
3 4 8 372.34 503.93 77.61 o
4 4 8 3412.00 3490.79 137.58 o
0 5 8 0.41 12.09 62.71 o
1 5 8 1524.57 1614.52 67.26 o
2 5 8 320.16 212.73 52.71 o
3 5 8 13.45 1.47 51.44 o
0 6 8 113.93 4.53 71.57 o
0 0 9 1985.15 2297.31 210.26 o
0 1 9 1518.97 1488.27 88.42 o
1 1 9 658.69 730.11 67.17 o
0 2 9 6628.67 6313.17 160.25 o
1 2 9 11345.82 11127.82 150.48 o
2 2 9 1406.38 1300.51 88.37 o
0 3 9 2987.60 2968.36 115.85 o
1 3 9 235.94 372.54 54.01 o
2 3 9 2670.47 2647.33 87.95 o
3 3 9 3.61 37.52 87.63 o
0 4 9 1523.21 1505.21 104.17 o
1 4 9 3539.88 3461.61 87.86 o
2 4 9 2900.04 3189.67 167.24 o
3 4 9 62.04 121.08 52.73 o
0 5 9 4574.98 4473.02 145.97 o
1 5 9 28.78 106.87 51.62 o
2 5 9 3757.63 3764.59 108.20 o
0 0 10 1009.31 1087.62 218.57 o
0 1 10 252.14 357.69 95.37 o
1 1 10 2804.92 2928.63 143.39 o
0 2 10 1701.29 1639.78 111.87 o
1 2 10 54.52 219.48 60.02 o
2 2 10 15373.21 15767.71 310.35 o
0 3 10 90.68 138.35 81.62 o
1 3 10 20.20 7.92 56.02 o
2 3 10 109.14 118.65 60.30 o
3 3 10 1863.62 2099.22 159.67 o
0 4 10 884.82 1207.02 109.69 o
1 4 10 17.22 18.30 65.53 o
2 4 10 12.44 60.42 67.48 o
0 0 11 3228.52 3360.35 451.59 o
0 1 11 327.71 299.03 116.11 o
1 1 11 59.15 -100.82 100.82 o
0 2 11 2266.04 2186.87 143.91 o
1 2 11 3709.23 3637.04 123.50 o
2 2 11 2984.27 2688.63 139.68 o
0 3 11 1840.07 1940.59 136.87 o
1 3 11 10.20 100.19 71.49 o
2 3 11 135.93 145.58 73.81 o
0 0 12 12260.35 11734.38 801.05 o
0 1 12 231.14 447.69 152.21 o
1 1 12 442.51 238.86 146.58 o
0 2 12 113.18 21.80 119.27 o