#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/61/2016186.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_2016186_Fobs
loop_
_publ_author_name
'Kal, Subhadeep'
'Stoyanov, Emil'
'Groy, Thomas L.'
'H\"aussermann, Ulrich'
_publ_section_title
;
 SrZn~11~: a new binary compound with the BaCd~11~ structure
;
_journal_coeditor_code           FA3104
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i96
_journal_page_last               i98
_journal_volume                  63
_journal_year                    2007
_space_group_IT_number           141
_symmetry_space_group_name_Hall  'I 4bw 2bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a m d :1'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   10.7491
_cell_length_b                   10.7491
_cell_length_c                   6.8990
_exptl_crystal_F_000             1472.00
_reflns_d_resolution_high        0.7689
_[local]_cod_data_source_file    fa3104Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' I41amd in I4(1)/amd'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            515.30
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'-y, x+1/2, z+1/4'
'y+1/2, -x, z+3/4'
'-x+1/2, y, -z+3/4'
'x, -y+1/2, -z+1/4'
'y+1/2, x+1/2, -z+1/2'
'-y, -x, -z'
'-x, -y+1/2, -z+1/4'
'x+1/2, y, -z+3/4'
'y, -x, -z'
'-y+1/2, x+1/2, -z+1/2'
'x+1/2, -y+1/2, z+1/2'
'-x, y, z'
'-y+1/2, -x, z+3/4'
'y, x+1/2, z+1/4'
'x+1/2, y+1/2, z+1/2'
'-x+1, -y+1, z+1'
'-y+1/2, x+1, z+3/4'
'y+1, -x+1/2, z+5/4'
'-x+1, y+1/2, -z+5/4'
'x+1/2, -y+1, -z+3/4'
'y+1, x+1, -z+1'
'-y+1/2, -x+1/2, -z+1/2'
'-x+1/2, -y+1, -z+3/4'
'x+1, y+1/2, -z+5/4'
'y+1/2, -x+1/2, -z+1/2'
'-y+1, x+1, -z+1'
'x+1, -y+1, z+1'
'-x+1/2, y+1/2, z+1/2'
'-y+1, -x+1/2, z+5/4'
'y+1/2, x+1, z+3/4'
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 15235.45 15729.97 664.32 o
2 2 0 77.78 228.20 165.96 o
0 4 0 36568.20 36586.09 1421.69 o
2 4 0 265533.25 279086.00 4089.82 o
4 4 0 1546.95 1769.49 375.95 o
0 6 0 27782.88 25427.93 1350.73 o
2 6 0 1988.51 1785.32 302.12 o
4 6 0 15159.79 12882.12 712.99 o
6 6 0 99.08 152.69 449.67 o
0 8 0 132584.94 133655.70 4185.79 o
2 8 0 7472.92 8082.72 701.06 o
4 8 0 207495.61 222229.84 4525.50 o
6 8 0 17187.43 17165.78 1066.43 o
8 8 0 196.16 122.80 855.73 o
0 10 0 105456.63 111082.49 4579.69 o
2 10 0 43.66 -333.72 434.35 o
4 10 0 1303.97 1216.25 568.07 o
6 10 0 51.55 128.70 645.44 o
8 10 0 31719.36 28780.49 2042.94 o
0 12 0 16642.65 17106.97 2243.81 o
2 12 0 34403.43 37131.69 2129.51 o
4 12 0 42168.59 45363.87 2513.83 o
6 12 0 4474.97 5316.30 1054.69 o
0 1 1 5528.39 5614.28 285.99 o
1 2 1 52.90 -43.84 116.75 o
0 3 1 4438.28 4801.07 348.19 o
2 3 1 44118.20 43333.73 781.64 o
1 4 1 4150.59 4257.46 249.37 o
3 4 1 117842.02 118764.16 1660.97 o
0 5 1 237975.47 249229.42 3871.64 o
2 5 1 30950.31 30500.72 705.47 o
4 5 1 24289.35 21160.22 592.76 o
1 6 1 9438.03 9048.28 391.78 o
3 6 1 2922.05 3211.49 266.21 o
5 6 1 7968.27 7519.48 445.94 o
0 7 1 59015.24 55816.57 1600.76 o
2 7 1 820.65 598.61 208.19 o
4 7 1 51654.13 50598.23 1180.25 o
6 7 1 2220.13 2249.71 352.91 o
1 8 1 20703.80 19357.88 720.58 o
3 8 1 21157.62 20384.60 818.94 o
5 8 1 31231.43 31941.43 1114.84 o
7 8 1 8624.92 8996.32 651.17 o
0 9 1 8540.04 7762.70 788.37 o
2 9 1 18.56 246.45 313.61 o
4 9 1 10123.83 10556.37 690.74 o
6 9 1 4371.51 4502.72 465.19 o
8 9 1 16665.13 16203.11 900.26 o
1 10 1 8720.09 8780.92 666.06 o
3 10 1 687.82 848.10 352.69 o
5 10 1 618.37 445.28 386.58 o
7 10 1 8361.84 10289.69 921.60 o
9 10 1 4051.97 5210.55 819.10 o
0 11 1 2734.68 3787.50 640.23 o
2 11 1 7366.32 7720.77 702.26 o
4 11 1 3881.99 5153.66 717.35 o
6 11 1 1969.56 2193.22 505.82 o
8 11 1 104.27 -562.55 610.23 o
1 12 1 542.92 1719.57 459.51 o
3 12 1 4571.09 3975.07 640.22 o
5 12 1 17629.71 17721.53 1201.98 o
7 12 1 16573.98 15578.29 1695.44 o
0 13 1 605.69 -174.22 824.48 o
2 13 1 7178.92 6514.93 680.36 o
4 13 1 6146.38 5959.35 772.15 o
1 1 2 9852.82 9742.68 430.90 o
0 2 2 858.00 751.43 223.33 o
1 3 2 158585.27 171752.94 2082.98 o
3 3 2 4244.64 4263.15 507.42 o
0 4 2 110713.93 122312.02 2434.64 o
2 4 2 122426.95 122026.35 1903.09 o
1 5 2 2699.44 2960.31 258.89 o
3 5 2 32090.47 30560.09 811.22 o
5 5 2 189672.30 195601.63 3858.95 o
0 6 2 30859.05 29436.74 1142.33 o
2 6 2 339.80 461.21 215.01 o
4 6 2 13906.92 13344.06 706.33 o
1 7 2 59053.03 57167.76 1406.08 o
3 7 2 10252.31 9129.36 568.13 o
5 7 2 9028.50 8885.21 669.07 o
7 7 2 69780.48 72718.11 2780.10 o
0 8 2 52766.57 51073.11 2127.01 o
2 8 2 139.21 324.83 290.03 o
4 8 2 524.06 552.22 306.32 o
6 8 2 7648.48 7873.22 606.80 o
1 9 2 96.84 600.42 323.52 o
3 9 2 66233.93 64986.39 1745.56 o
5 9 2 3022.89 2705.93 419.53 o
7 9 2 16375.65 14896.91 910.11 o
9 9 2 551.60 602.06 723.69 o
0 10 2 30536.50 28249.06 1595.43 o
2 10 2 69.64 204.89 333.82 o
4 10 2 602.71 660.79 425.95 o
6 10 2 265.34 222.28 418.94 o
8 10 2 18675.28 20550.63 1253.93 o
1 11 2 14477.60 14742.21 830.32 o
3 11 2 989.41 1520.65 463.31 o
5 11 2 15362.93 15886.70 993.34 o
7 11 2 1167.53 1359.75 564.13 o
0 12 2 199.45 704.04 609.24 o
2 12 2 19426.47 18673.08 1584.87 o
4 12 2 15273.77 15884.80 990.68 o
6 12 2 1617.75 1902.93 676.57 o
1 13 2 13109.64 14857.13 901.62 o
3 13 2 81.58 -106.07 604.28 o
0 1 3 144772.83 154836.66 2645.17 o
1 2 3 77583.21 79518.02 1237.10 o
0 3 3 34953.16 37003.59 1058.65 o
2 3 3 11095.67 9790.72 388.29 o
1 4 3 26625.46 27635.25 725.95 o
3 4 3 3029.53 3044.61 266.16 o
0 5 3 2427.33 2413.97 414.36 o
2 5 3 14295.60 14121.04 577.77 o
4 5 3 6104.27 5399.09 493.55 o
1 6 3 1580.09 1384.63 278.65 o
3 6 3 2991.01 2618.09 336.65 o
5 6 3 2999.90 3049.14 404.83 o
0 7 3 23496.36 23531.95 1370.74 o
2 7 3 28282.83 26142.63 943.53 o
4 7 3 31072.35 29749.16 1144.22 o
6 7 3 749.36 994.50 337.43 o
1 8 3 67.32 -59.47 276.15 o
3 8 3 7718.21 7397.27 662.23 o
5 8 3 32031.29 32932.28 1285.82 o
7 8 3 1791.54 2290.04 605.78 o
0 9 3 58871.79 57077.28 2376.93 o
2 9 3 25260.94 23146.11 1047.09 o
4 9 3 8390.67 7568.52 683.23 o
6 9 3 280.27 -0.69 386.89 o
8 9 3 35.41 235.22 472.72 o
1 10 3 6608.33 5272.17 561.35 o
3 10 3 13535.59 13700.85 886.48 o
5 10 3 12263.32 11709.03 919.19 o
7 10 3 2111.64 3522.33 564.69 o
0 11 3 928.53 1607.54 588.20 o
2 11 3 1412.26 1528.83 444.22 o
4 11 3 202.79 271.15 429.36 o
6 11 3 575.40 14.92 594.11 o
1 12 3 3373.93 4562.19 550.89 o
3 12 3 18398.71 18843.92 1046.08 o
5 12 3 6901.06 8393.12 744.24 o
0 13 3 3972.65 4221.22 888.33 o
2 13 3 3332.62 4172.91 743.11 o
0 0 4 10966.89 12220.16 1278.09 o
0 2 4 15563.57 15709.63 717.00 o
2 2 4 88767.05 90452.51 2062.33 o
1 3 4 9248.21 9112.88 413.32 o
0 4 4 126.46 139.06 229.27 o
2 4 4 32806.79 32607.88 833.33 o
4 4 4 751.63 464.71 386.25 o
1 5 4 50575.31 52754.79 1382.50 o
3 5 4 82267.54 81866.55 1879.38 o
0 6 4 12761.60 13835.88 1101.55 o
2 6 4 59445.77 59464.11 1701.01 o
4 6 4 12131.54 13021.86 770.72 o
6 6 4 35893.13 38633.99 1944.19 o
1 7 4 29504.24 28653.58 1088.32 o
3 7 4 45307.67 44790.27 1496.67 o
5 7 4 474.75 52.69 335.08 o
0 8 4 776.29 1782.56 475.96 o
2 8 4 7317.99 7780.58 673.39 o
4 8 4 1497.05 706.99 382.08 o
6 8 4 8390.79 8101.87 718.02 o
8 8 4 26.15 1036.50 667.50 o
1 9 4 1270.00 1422.06 378.03 o
3 9 4 656.02 554.15 388.69 o
5 9 4 33152.15 32783.20 1353.81 o
7 9 4 19914.95 20091.60 1153.40 o
0 10 4 11304.53 12004.44 1185.70 o
2 10 4 22762.67 20390.50 1027.41 o
4 10 4 3559.60 2543.37 633.38 o
6 10 4 16116.44 16186.96 993.13 o
1 11 4 99.50 490.37 432.99 o
3 11 4 1516.99 1596.48 478.08 o
5 11 4 5749.66 6316.27 716.35 o
0 12 4 482.65 257.06 913.82 o
2 12 4 8111.65 9632.46 700.30 o
0 1 5 13402.71 12910.18 765.27 o
1 2 5 5572.63 5595.83 410.55 o
0 3 5 97141.78 103619.21 2439.90 o
2 3 5 24533.06 25387.18 825.00 o
1 4 5 1677.14 1937.31 317.11 o
3 4 5 1420.01 1716.38 322.48 o
0 5 5 7807.01 7078.63 866.81 o
2 5 5 26546.91 25778.06 1066.25 o
4 5 5 47648.75 49707.39 1596.17 o
1 6 5 1736.52 2334.45 353.18 o
3 6 5 1254.49 968.20 396.23 o
5 6 5 74.00 -362.23 366.29 o
0 7 5 3830.78 3095.88 605.43 o
2 7 5 2775.50 2625.97 444.00 o
4 7 5 4843.01 3861.67 547.52 o
6 7 5 1476.70 1704.16 509.54 o
1 8 5 7132.70 5229.57 585.71 o
3 8 5 3594.03 2973.76 507.22 o
5 8 5 7224.24 6534.88 630.95 o
7 8 5 20878.21 21898.18 1118.63 o
0 9 5 10719.88 13156.19 1454.70 o
2 9 5 2660.96 1743.37 472.85 o
4 9 5 3035.52 3049.32 509.33 o
6 9 5 552.46 1406.66 711.29 o
1 10 5 8959.28 7534.45 804.21 o
3 10 5 3885.67 4392.27 558.89 o
5 10 5 1385.89 1812.24 505.54 o
0 11 5 13823.58 12595.08 1198.91 o
2 11 5 4643.15 5520.53 613.13 o
1 1 6 26218.71 24642.22 1132.11 o
0 2 6 72562.11 71854.66 2243.51 o
1 3 6 1116.89 848.62 312.35 o
3 3 6 42493.32 41959.91 1933.84 o
0 4 6 57524.14 60827.00 2910.84 o
2 4 6 1450.45 1907.79 369.86 o
1 5 6 22610.00 21316.74 1030.96 o
3 5 6 7381.93 8116.73 696.63 o
5 5 6 833.42 1673.66 582.35 o
0 6 6 3689.79 3812.21 1027.57 o
2 6 6 111.19 1414.49 379.98 o
4 6 6 6032.60 5742.81 586.16 o
1 7 6 2254.26 1925.00 462.64 o
3 7 6 8594.95 8535.14 747.50 o
5 7 6 29484.76 31986.40 1404.41 o
7 7 6 138.90 99.65 743.51 o
0 8 6 37542.81 37914.77 2296.48 o
2 8 6 28184.47 28305.38 1458.14 o
4 8 6 36.31 533.96 480.23 o
6 8 6 3641.25 3518.94 597.58 o
1 9 6 14263.02 14768.24 978.79 o
3 9 6 95.41 -370.98 470.68 o
5 9 6 8001.08 7644.32 749.65 o
0 10 6 105.03 -705.61 705.61 o
2 10 6 729.43 24.96 545.57 o
0 1 7 11.71 113.06 381.10 o
1 2 7 5045.73 5345.42 456.58 o
0 3 7 18110.22 17025.60 1161.65 o
2 3 7 1569.67 1170.81 381.32 o
1 4 7 5579.18 5076.45 677.55 o
3 4 7 8118.06 7422.94 689.39 o
0 5 7 16729.39 17470.92 1510.53 o
2 5 7 2151.85 2107.91 461.22 o
4 5 7 24030.50 24673.98 1327.24 o
1 6 7 1534.94 1471.47 613.58 o
3 6 7 3768.77 4187.79 616.07 o
5 6 7 1010.10 1379.92 761.31 o
0 7 7 24904.47 25668.53 1940.79 o
2 7 7 3202.93 3138.50 837.06 o
4 7 7 7984.69 8281.48 818.24 o
1 8 7 584.72 67.46 530.49 o
3 8 7 11271.92 10263.16 848.16 o
0 0 8 14016.75 13912.13 2397.96 o
0 2 8 35951.85 34301.05 1910.80 o
2 2 8 154.27 -216.04 650.32 o
1 3 8 259.88 20.80 552.29 o
0 4 8 44793.04 46939.73 2495.18 o
2 4 8 1171.50 1064.50 521.44 o
4 4 8 55176.23 55582.05 3031.81 o
1 5 8 1279.75 2069.92 560.35 o
3 5 8 1574.60 1639.24 572.49 o
0 6 8 5096.71 6225.25 1027.96 o