#------------------------------------------------------------------------------
#$Date: 2013-02-22 12:27:16 +0200 (Fri, 22 Feb 2013) $
#$Revision: 74188 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/70/2237061.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_2237061_Fobs
loop_
_publ_author_name
'K\"opf, Marianne'
'Osters, Oliver'
'Bawohl, Melanie'
'Nilges, Tom'
_publ_section_title
;
 The layered polyphosphide Ag~3.73(4)~Zn~2.27(4)~P~16~
;
_journal_coeditor_code           WM2694
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i91
_journal_volume                  68
_journal_year                    2012
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.585(9)
_cell_angle_gamma                90
_cell_length_a                   11.4915(14)
_cell_length_b                   9.9604(8)
_cell_length_c                   7.7106(9)
_exptl_crystal_F_000             966
_reflns_d_resolution_high        0.7010
_[local]_cod_data_source_file    wm2694Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '   '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            475.02
_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, -y, -z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -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 10354.60 10404.30 117.59 o
4 0 0 11820.50 10873.20 95.92 o
6 0 0 10414.80 10433.80 242.62 o
8 0 0 1287.86 1119.29 48.74 o
10 0 0 16080.20 15591.60 360.41 o
12 0 0 84622.70 87887.40 504.85 o
14 0 0 542.11 585.96 58.32 o
1 1 0 1493.46 1463.31 75.59 o
3 1 0 16697.90 15100.00 64.30 o
5 1 0 54496.40 54053.50 430.61 o
7 1 0 21086.00 21394.10 191.85 o
9 1 0 2329.93 2459.55 34.31 o
11 1 0 1077.43 1132.98 44.27 o
13 1 0 577.54 605.61 38.33 o
15 1 0 2051.58 2017.41 51.51 o
0 2 0 741.70 702.71 88.91 o
2 2 0 81.49 92.93 50.54 <
4 2 0 607.89 543.99 40.58 o
6 2 0 80534.40 80054.50 335.14 o
8 2 0 988.79 926.63 40.94 o
10 2 0 1938.19 1863.47 35.77 o
12 2 0 880.60 852.40 54.44 o
14 2 0 409.09 520.20 49.98 o
1 3 0 17574.40 16089.40 79.50 o
3 3 0 1755.54 1738.70 40.29 o
5 3 0 35196.10 34092.20 304.04 o
7 3 0 5945.73 6278.01 44.13 o
9 3 0 1921.05 1887.00 65.99 o
11 3 0 7892.49 8114.81 105.11 o
13 3 0 61.98 50.71 58.49 <
15 3 0 135.55 203.42 53.68 o
0 4 0 38109.40 36227.90 111.47 o
2 4 0 19537.60 18629.90 112.62 o
4 4 0 4.64 101.98 36.46 <
6 4 0 19825.70 19862.20 152.66 o
8 4 0 1686.88 1563.93 37.62 o
10 4 0 8957.62 8863.50 73.93 o
12 4 0 3640.55 3728.96 113.52 o
14 4 0 874.69 853.82 46.85 o
1 5 0 271.98 312.73 37.40 o
3 5 0 201.29 186.24 34.80 o
5 5 0 42200.70 42353.70 150.02 o
7 5 0 36349.30 37204.40 158.61 o
9 5 0 2485.85 2377.53 35.23 o
11 5 0 461.49 441.18 42.95 o
13 5 0 47.27 -22.58 41.27 <
0 6 0 268.02 342.14 50.73 o
2 6 0 16083.70 15846.60 106.70 o
4 6 0 3966.81 4287.58 235.81 o
6 6 0 26634.10 27632.40 225.10 o
8 6 0 302.63 360.25 43.87 o
10 6 0 2878.18 2931.09 37.83 o
12 6 0 152.82 176.95 42.39 o
14 6 0 3881.94 3830.81 201.79 o
1 7 0 98041.40 99711.10 170.88 o
3 7 0 2972.64 2826.50 55.68 o
5 7 0 6893.54 7065.61 67.20 o
7 7 0 295.54 355.25 33.51 o
9 7 0 1388.97 1479.75 36.31 o
11 7 0 35664.40 36687.50 470.83 o
13 7 0 9894.71 9640.93 87.27 o
0 8 0 1035.31 1097.80 52.43 o
2 8 0 7076.14 6938.03 89.93 o
4 8 0 20952.80 20892.90 116.46 o
6 8 0 16396.80 16481.20 201.84 o
8 8 0 6083.32 6309.55 104.98 o
10 8 0 5475.29 5544.80 48.46 o
12 8 0 137.57 105.88 44.42 <
1 9 0 4.64 58.49 37.94 <
3 9 0 2552.90 2553.00 36.34 o
5 9 0 6204.13 6403.12 73.42 o
7 9 0 520.11 619.30 36.10 o
9 9 0 3375.61 3383.41 51.18 o
11 9 0 586.20 713.53 49.62 o
0 10 0 3317.00 3429.27 56.39 o
2 10 0 63.16 113.28 36.28 o
4 10 0 8303.75 8480.55 42.61 o
6 10 0 6347.78 6617.93 45.89 o
8 10 0 874.86 915.69 68.70 o
10 10 0 1123.90 1288.03 56.48 o
1 11 0 9474.36 9650.21 101.47 o
3 11 0 1556.30 1578.04 53.35 o
5 11 0 59.97 51.45 51.27 <
7 11 0 420.59 392.47 43.13 o
9 11 0 4517.37 4386.02 55.10 o
0 12 0 504.46 553.56 60.91 o
2 12 0 419.23 429.68 43.88 o
4 12 0 8579.33 8905.75 140.42 o
6 12 0 8453.54 8264.22 111.01 o
8 12 0 4953.63 4585.34 57.34 o
1 13 0 3160.43 3168.04 54.14 o
3 13 0 294.14 263.23 45.72 o
5 13 0 1313.07 1382.43 52.79 o
0 14 0 9219.54 8721.24 90.95 o
2 14 0 4765.10 4489.49 97.97 o
-15 1 1 4658.90 4400.57 46.20 o
-13 1 1 11.56 -27.39 42.20 <
-11 1 1 1174.90 1139.76 45.01 o
-9 1 1 2124.88 2159.13 54.70 o
-7 1 1 1303.35 1400.42 35.03 o
-5 1 1 20579.40 19651.80 217.69 o
-3 1 1 36965.40 34556.90 246.59 o
-1 1 1 598.80 626.34 113.58 o
1 1 1 1386.32 1372.68 64.54 o
3 1 1 100.18 139.40 51.65 <
5 1 1 1439.87 1418.70 55.82 o
7 1 1 24082.80 24240.50 360.17 o
9 1 1 2152.17 2281.46 55.25 o
11 1 1 296.89 341.17 40.91 o
13 1 1 617.54 781.14 43.14 o
-14 2 1 1920.97 1917.86 48.54 o
-12 2 1 61.78 134.74 34.98 o
-10 2 1 75796.90 77061.80 847.26 o
-8 2 1 19160.00 19294.00 213.99 o
-6 2 1 1513.79 1297.58 37.28 o
-4 2 1 24632.40 23500.10 87.33 o
-2 2 1 1326.05 1119.77 59.26 o
0 2 1 24488.80 23604.80 103.69 o
4 2 1 7149.30 7082.32 59.32 o
6 2 1 3369.21 3321.38 36.78 o
8 2 1 6864.35 7095.40 90.48 o
10 2 1 2072.48 1885.92 37.07 o
12 2 1 9117.55 8929.72 51.73 o
14 2 1 22582.40 21893.90 226.69 o
-15 3 1 9736.31 9147.61 112.00 o
-13 3 1 4805.01 4807.34 67.75 o
-11 3 1 489.81 525.07 40.36 o
-9 3 1 1655.49 1581.83 34.10 o
-7 3 1 21.58 82.73 32.95 <
-5 3 1 77078.70 76894.20 574.93 o
-3 3 1 93523.50 94067.80 360.72 o
-1 3 1 6438.42 5848.95 65.92 o
1 3 1 487.29 479.86 46.13 o
3 3 1 1984.65 1996.77 42.71 o
5 3 1 7577.15 7305.60 49.12 o
7 3 1 55408.50 55579.80 554.34 o
9 3 1 22245.70 22515.20 227.65 o
11 3 1 280.13 343.02 49.61 o
13 3 1 104.36 186.02 48.31 o
-14 4 1 1404.11 1588.31 63.90 o
-12 4 1 3315.68 3372.35 106.45 o
-10 4 1 756.74 821.10 116.11 o
-8 4 1 10.91 -6.85 44.24 <
-6 4 1 133.59 164.38 47.94 o
-4 4 1 131072.00 134069.00 384.70 o
-2 4 1 1923.96 1712.54 43.45 o
0 4 1 3010.03 2838.63 47.82 o
2 4 1 95.94 158.27 36.84 o
4 4 1 4875.84 4724.88 41.89 o
6 4 1 2046.54 2146.96 44.51 o
8 4 1 58097.80 59454.70 780.93 o
10 4 1 429.87 417.11 66.65 o
12 4 1 141.21 173.99 41.83 o
14 4 1 810.13 811.38 49.62 o
-13 5 1 1096.35 1132.67 60.37 o
-11 5 1 9055.34 9390.64 86.00 o
-9 5 1 37902.30 38692.10 502.86 o
-7 5 1 4371.35 4265.11 36.60 o
-5 5 1 5352.91 5428.73 58.27 o
-3 5 1 36772.80 35888.50 211.92 o
-1 5 1 463.76 484.86 39.82 o
1 5 1 97079.20 96871.30 618.07 o
3 5 1 45543.60 45007.30 420.52 o
5 5 1 208.93 188.27 34.62 o
7 5 1 16261.60 16551.80 113.07 o
9 5 1 1859.56 1906.35 37.43 o
11 5 1 3070.62 3140.27 39.49 o
13 5 1 20270.50 20139.60 104.60 o
-14 6 1 506.46 496.90 66.09 o
-12 6 1 2662.14 2747.69 43.38 o
-10 6 1 19.08 -4.81 39.24 <
-8 6 1 7469.09 7424.15 129.35 o
-6 6 1 487.10 548.27 38.88 o
-4 6 1 25755.10 25841.50 268.09 o
-2 6 1 3277.32 3279.00 37.71 o
0 6 1 19844.10 19760.50 88.64 o
2 6 1 407.95 584.94 36.85 o
4 6 1 7001.98 6872.75 130.43 o
6 6 1 1860.91 1889.59 37.81 o
8 6 1 12148.30 12414.30 111.05 o
10 6 1 41.71 122.53 66.26 <
12 6 1 4762.12 4641.49 86.29 o
-13 7 1 123.72 192.87 46.64 o
-11 7 1 351.50 350.43 42.39 o
-9 7 1 4693.49 4959.83 100.44 o
-7 7 1 8.15 -27.76 69.41 <
-5 7 1 4791.57 4953.67 40.14 o
-3 7 1 4473.12 4599.82 106.69 o
-1 7 1 42.56 137.52 37.57 o
1 7 1 1024.33 993.41 38.54 o
3 7 1 1672.14 1603.38 39.48 o
5 7 1 228.84 261.01 51.46 o
7 7 1 225.63 445.01 108.85 o
9 7 1 6735.02 6648.98 48.14 o
11 7 1 51.53 111.42 61.82 <
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0 8 1 8688.81 8573.65 86.34 o
2 8 1 906.27 910.36 73.72 o
4 8 1 6028.79 6015.51 48.34 o
6 8 1 6850.82 6953.11 58.02 o
8 8 1 3462.41 3624.60 42.66 o
10 8 1 125.75 94.77 44.79 <
12 8 1 1357.39 1293.00 50.19 o
-11 9 1 12503.60 12174.70 213.93 o
-9 9 1 24290.50 25021.00 209.48 o
-7 9 1 909.14 874.28 45.00 o
-5 9 1 168.46 173.81 37.58 o
-3 9 1 5.97 20.17 50.53 <
-1 9 1 89.39 157.33 36.28 o
1 9 1 41944.80 43185.30 580.42 o
3 9 1 42219.30 43010.00 302.98 o
5 9 1 1867.13 1944.48 41.70 o
7 9 1 263.45 317.84 42.95 o
9 9 1 190.20 301.16 54.61 o
11 9 1 1570.74 1475.43 71.87 o
-10 10 1 335.23 284.89 49.06 o
-8 10 1 6290.24 6331.26 49.97 o
-6 10 1 18091.70 18245.90 155.89 o
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-2 10 1 21646.00 21905.30 201.70 o
0 10 1 1748.30 1820.80 43.18 o
2 10 1 946.72 941.00 44.26 o
4 10 1 3604.41 3515.34 49.53 o
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10 10 1 3952.81 3702.46 119.07 o
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-1 11 1 2276.73 2356.86 56.72 o
1 11 1 1617.96 1670.20 42.61 o
3 11 1 3911.30 3997.76 43.78 o
5 11 1 1098.64 1165.83 43.89 o
7 11 1 4479.25 4709.23 51.95 o
9 11 1 1651.79 1688.52 50.94 o
-8 12 1 6359.04 6200.67 91.19 o
-6 12 1 635.54 625.06 61.10 o
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-2 12 1 11788.00 11780.80 52.55 o
0 12 1 9503.28 9699.66 142.37 o
2 12 1 7203.10 7204.43 88.46 o
4 12 1 1572.55 1492.71 54.65 o
6 12 1 6521.73 6231.39 97.70 o
-5 13 1 2996.29 2754.78 57.47 o
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1 13 1 2893.70 2901.54 49.13 o
3 13 1 1656.38 1479.22 51.68 o
5 13 1 1938.01 1716.20 62.44 o
-2 14 1 1230.55 1155.12 53.52 o
0 14 1 15.35 77.74 54.78 <
-16 0 2 1690.34 1697.45 180.99 o
-14 0 2 204.41 326.52 54.61 o
-12 0 2 4215.23 4241.85 57.35 o
-10 0 2 321.69 246.96 51.28 o
-8 0 2 212400.00 225643.00 542.90 o
-6 0 2 40798.40 39432.20 365.61 o
-4 0 2 237.90 270.90 56.29 o
-2 0 2 34408.40 33012.10 156.60 o
0 0 2 191.62 153.51 88.52 <
2 0 2 18861.90 18067.50 163.04 o
6 0 2 3763.84 4137.39 51.28 o
8 0 2 10694.00 10601.20 287.85 o
10 0 2 2781.49 2910.40 97.90 o
12 0 2 2838.59 2814.34 64.14 o
14 0 2 6114.68 5562.32 86.90 o
-15 1 2 6252.53 6043.69 64.26 o
-13 1 2 6747.61 6866.05 48.13 o
-11 1 2 3408.46 3438.18 61.41 o
-9 1 2 4259.44 4193.43 67.26 o
-7 1 2 7748.96 7528.05 73.58 o
-5 1 2 5662.96 5517.44 44.83 o
-3 1 2 101350.00 101766.00 1349.92 o
-1 1 2 35523.00 33515.00 149.38 o
1 1 2 6278.55 5766.17 80.91 o
3 1 2 263.92 239.04 41.66 o
5 1 2 1986.98 1944.74 40.81 o
7 1 2 5996.14 5888.20 106.06 o
9 1 2 33971.80 34562.30 227.52 o
11 1 2 1462.66 1652.78 37.79 o
13 1 2 165.79 157.33 42.76 o
-16 2 2 1482.79 1514.99 50.57 o
-14 2 2 13376.70 13550.40 60.24 o
-12 2 2 2859.28 2961.44 39.12 o
-10 2 2 267.33 310.08 48.13 o
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0 2 2 3148.29 2857.56 60.76 o
2 2 2 1745.08 1652.25 43.26 o
4 2 2 9.29 56.82 33.87 <
6 2 2 1436.74 1592.66 41.33 o
8 2 2 79.28 120.50 36.83 o
10 2 2 24729.80 25340.50 116.59 o
12 2 2 42.90 42.38 45.16 <
14 2 2 1509.24 1492.97 51.31 o
-15 3 2 217.93 280.06 48.68 o
-13 3 2 13654.30 13871.80 66.42 o
-11 3 2 223.36 272.11 39.80 o
-9 3 2 4471.22 4556.69 38.27 o
-7 3 2 8656.00 8593.18 59.77 o
-5 3 2 865.29 769.18 36.87 o
-3 3 2 10239.00 9697.88 80.98 o
-1 3 2 49568.80 47777.70 508.57 o
1 3 2 2255.54 2097.25 44.59 o
3 3 2 38780.30 37824.00 176.52 o
5 3 2 431.78 568.83 100.73 o
7 3 2 4.23 44.42 32.94 <
9 3 2 8421.82 8499.94 53.43 o
11 3 2 1330.98 1526.47 46.49 o
13 3 2 536.66 538.75 69.24 o
-14 4 2 2410.88 2416.54 42.81 o
-12 4 2 474.67 469.32 39.99 o
-10 4 2 7616.63 7720.13 103.10 o
-8 4 2 15739.40 15921.10 78.43 o
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0 4 2 242.71 251.99 44.07 o
2 4 2 35227.70 34863.90 332.89 o
4 4 2 24504.40 26004.00 353.79 o
6 4 2 861.19 842.76 33.90 o
8 4 2 63.54 161.21 32.95 o
10 4 2 4406.98 4409.21 63.29 o
12 4 2 312.67 327.10 41.47 o
-15 5 2 6371.38 5922.24 98.06 o
-13 5 2 11600.10 11594.40 130.79 o
-11 5 2 2035.40 2121.03 47.44 o
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-1 5 2 66601.80 66697.50 127.92 o
1 5 2 23.66 104.39 37.57 <
3 5 2 59.57 88.66 38.31 <
5 5 2 324.07 216.79 57.21 o
7 5 2 1177.20 1212.25 47.42 o
9 5 2 11556.20 11427.20 99.75 o
11 5 2 16818.60 17209.40 93.80 o
13 5 2 1183.93 1238.62 50.56 o
-14 6 2 6163.45 6197.20 103.62 o
-12 6 2 158.92 224.90 40.72 o
-10 6 2 12919.60 13313.60 125.99 o
-8 6 2 59.07 160.29 83.11 <
-6 6 2 2583.30 2606.13 38.58 o
-4 6 2 6275.46 6337.71 76.73 o
-2 6 2 46013.80 45659.60 272.11 o
0 6 2 26.30 69.41 42.01 <
2 6 2 16234.00 16344.30 537.03 o
4 6 2 3.00 31.46 61.63 <
6 6 2 5565.37 5615.24 41.26 o
8 6 2 5388.90 5453.02 43.46 o
10 6 2 9802.20 10331.70 125.27 o
12 6 2 398.13 446.14 49.98 o
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1 7 2 14.34 36.65 37.94 <
3 7 2 76806.40 79289.90 829.28 o
5 7 2 50798.20 51689.30 69.34 o
7 7 2 4002.69 4283.34 60.68 o
9 7 2 4854.13 5035.88 119.91 o
11 7 2 49.30 95.13 49.97 <
-12 8 2 4823.76 4774.46 54.56 o
-10 8 2 134.26 126.24 40.17 o
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1 9 2 1917.01 1910.85 39.85 o
3 9 2 414.54 450.43 37.40 o
5 9 2 324.12 376.17 47.76 o
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-10 10 2 164.93 194.17 55.71 o
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-4 10 2 2300.81 2365.54 46.15 o
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0 10 2 8101.56 8114.06 107.37 o
2 10 2 1657.41 1763.32 58.92 o
4 10 2 2531.27 2589.81 75.63 o
6 10 2 739.94 801.38 45.92 o
8 10 2 4762.00 4735.85 73.48 o
-9 11 2 7532.02 7087.25 74.15 o
-7 11 2 4133.88 4214.73 51.39 o
-5 11 2 3107.15 3276.03 55.63 o
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-1 11 2 224.02 208.06 44.43 o
1 11 2 4295.19 4444.67 58.08 o
3 11 2 8339.49 8595.07 50.03 o
5 11 2 6031.35 5926.14 44.20 o
7 11 2 27.02 11.85 45.90 <
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-6 12 2 465.62 445.05 53.32 o
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-2 12 2 9619.14 9797.47 50.25 o
0 12 2 8592.59 8737.14 49.66 o
2 12 2 478.18 512.08 48.88 o
4 12 2 260.50 369.66 44.61 o
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