#------------------------------------------------------------------------------
#$Date: 2016-04-02 21:51:04 +0300 (Sat, 02 Apr 2016) $
#$Revision: 180806 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/37/2013738.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_2013738_Fobs
loop_
_publ_author_name
'Weil, Matthias'
_publ_section_title
;
 The high-temperature modification of zinc <i>catena</i>-polyphosphate,
 \b-Zn(PO~3~)~2~
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i20
_journal_page_last               i22
_journal_volume                  60
_journal_year                    2004
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 92.190
_cell_angle_gamma                90.000
_cell_length_a                   7.6353
_cell_length_b                   7.6077
_cell_length_c                   16.3352
_exptl_crystal_F_000             864.00
_reflns_d_resolution_high        0.6617
_cod_data_source_file            bc1027Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title
' beta-Zn(PO3)2 in Cc; CAD4-Messung, absorptionskorrigiert'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            363.88
_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'
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 -24 1433.14 1483.75 104.63 o
0 0 -24 166.13 224.03 81.43 o
2 0 -24 43.10 -35.74 78.79 o
-1 1 -24 459.98 353.37 65.37 o
1 1 -24 1898.06 1867.19 113.15 o
0 2 -24 711.19 671.36 215.70 o
2 2 -24 380.63 396.54 62.92 o
-3 1 -23 50.65 93.30 58.25 o
-1 1 -23 2567.46 2542.52 80.00 o
1 1 -23 3206.14 3132.12 83.43 o
3 1 -23 65.08 9.00 56.95 o
-2 2 -23 444.05 423.19 61.37 o
0 2 -23 1381.71 1335.57 67.35 o
2 2 -23 868.94 878.85 62.93 o
4 2 -23 274.52 317.02 61.03 o
-1 3 -23 180.49 171.07 57.17 o
1 3 -23 19.48 -4.07 54.85 o
3 3 -23 1165.15 1130.17 70.75 o
0 4 -23 745.50 863.84 93.53 o
-4 0 -22 3842.73 3702.96 131.43 o
-2 0 -22 3510.73 3476.05 118.57 o
0 0 -22 250.12 170.93 71.24 o
2 0 -22 1655.18 1542.21 95.33 o
4 0 -22 203.89 201.00 81.06 o
-3 1 -22 1816.77 1844.16 150.99 o
-1 1 -22 971.81 998.41 85.04 o
1 1 -22 1104.22 1198.68 74.03 o
3 1 -22 404.29 435.94 119.64 o
5 1 -22 700.21 741.19 64.14 o
-4 2 -22 1213.55 1205.66 72.68 o
-2 2 -22 639.26 692.38 100.64 o
0 2 -22 718.08 695.89 58.92 o
2 2 -22 186.19 147.62 52.22 o
4 2 -22 1956.97 2010.35 75.20 o
-3 3 -22 953.43 947.25 65.65 o
-1 3 -22 183.48 331.74 52.64 o
1 3 -22 1752.47 1774.45 70.77 o
3 3 -22 216.62 324.34 55.78 o
-2 4 -22 1248.47 1104.67 70.87 o
0 4 -22 1324.60 1275.41 69.13 o
2 4 -22 2092.39 2243.95 81.67 o
-1 5 -22 1021.15 1176.62 98.83 o
1 5 -22 926.47 997.46 67.76 o
-5 1 -21 87.38 181.80 58.34 o
-3 1 -21 396.28 443.09 94.91 o
-1 1 -21 1644.42 1537.04 63.80 o
1 1 -21 275.73 262.72 48.80 o
3 1 -21 3644.28 3641.40 83.26 o
5 1 -21 1761.70 1896.64 109.31 o
-4 2 -21 545.66 455.53 63.76 o
-2 2 -21 985.93 996.53 58.89 o
0 2 -21 864.37 884.46 80.38 o
2 2 -21 77.66 158.78 47.99 o
4 2 -21 1450.36 1514.46 85.06 o
6 2 -21 1649.04 1793.79 77.91 o
-3 3 -21 515.91 577.67 57.97 o
-1 3 -21 1914.78 1904.85 68.92 o
1 3 -21 2134.35 2218.42 70.84 o
3 3 -21 255.34 202.32 53.81 o
5 3 -21 145.71 99.49 59.22 o
-4 4 -21 335.47 373.01 73.82 o
-2 4 -21 1168.26 1219.61 67.17 o
0 4 -21 3202.62 3075.22 80.62 o
2 4 -21 2388.54 2316.77 76.53 o
4 4 -21 518.65 524.29 62.16 o
-3 5 -21 116.37 138.82 83.70 o
-1 5 -21 698.07 681.20 62.58 o
1 5 -21 134.01 127.30 56.11 o
3 5 -21 509.83 636.68 63.69 o
0 6 -21 1275.83 1401.75 71.45 o
-6 0 -20 3553.65 3366.42 130.16 o
-4 0 -20 6392.04 6209.70 164.72 o
-2 0 -20 106.48 140.59 64.31 o
0 0 -20 2599.86 2505.51 95.11 o
2 0 -20 824.17 854.68 76.92 o
4 0 -20 2647.96 2559.10 101.53 o
6 0 -20 5458.15 5450.44 164.41 o
-5 1 -20 610.11 587.79 66.02 o
-3 1 -20 490.80 479.28 63.38 o
-1 1 -20 1192.74 1248.58 111.18 o
1 1 -20 1776.09 1705.24 72.60 o
3 1 -20 3096.53 3055.70 74.84 o
5 1 -20 252.60 320.66 53.76 o
7 1 -20 140.64 144.45 58.78 o
-6 2 -20 918.27 955.63 69.83 o
-4 2 -20 2596.01 2640.84 75.65 o
-2 2 -20 145.64 156.48 47.52 o
0 2 -20 117.74 113.08 44.67 o
2 2 -20 4556.32 4492.00 253.44 o
4 2 -20 13.62 6.03 47.01 o
6 2 -20 2192.33 2038.62 78.97 o
-5 3 -20 1225.28 1119.12 70.41 o
-3 3 -20 335.34 347.32 90.31 o
-1 3 -20 1926.66 1797.13 67.06 o
1 3 -20 431.79 405.48 50.59 o
3 3 -20 116.64 141.18 48.72 o
5 3 -20 1988.01 1856.83 74.85 o
-4 4 -20 304.14 316.63 60.10 o
-2 4 -20 855.19 839.50 59.91 o
0 4 -20 1249.74 1187.01 62.32 o
2 4 -20 1756.20 1748.21 67.45 o
4 4 -20 1082.28 1104.17 79.25 o
-3 5 -20 1396.63 1347.82 69.36 o
-1 5 -20 221.12 202.53 55.78 o
1 5 -20 1383.37 1422.06 95.76 o
3 5 -20 1191.75 1166.60 68.26 o
-2 6 -20 2886.97 2768.00 165.59 o
0 6 -20 2039.89 1966.80 76.65 o
2 6 -20 60.56 52.88 85.90 o
-5 1 -19 348.47 359.49 52.38 o
-3 1 -19 550.75 645.34 56.65 o
-1 1 -19 1436.05 1345.67 51.24 o
1 1 -19 4081.72 4101.85 85.18 o
3 1 -19 2832.80 2667.83 69.66 o
5 1 -19 364.51 380.01 78.92 o
7 1 -19 46.94 -48.44 55.18 o
-6 2 -19 317.73 370.07 89.49 o
-4 2 -19 554.15 636.21 94.03 o
-2 2 -19 171.47 204.13 45.52 o
0 2 -19 2409.82 2368.98 58.98 o
2 2 -19 4297.17 4223.98 89.77 o
4 2 -19 1055.10 1100.51 58.24 o
6 2 -19 548.18 578.18 57.08 o
-5 3 -19 319.63 253.46 69.54 o
-3 3 -19 2041.19 2130.58 216.37 o
-1 3 -19 3065.61 3043.49 96.20 o
1 3 -19 188.50 259.25 71.87 o
3 3 -19 2696.95 2602.51 96.69 o
5 3 -19 104.28 63.49 59.53 o
7 3 -19 117.38 143.31 58.54 o
-4 4 -19 3015.82 2971.34 82.00 o
-2 4 -19 3349.65 3426.57 86.37 o
0 4 -19 500.80 513.87 50.60 o
2 4 -19 886.86 869.92 55.02 o
4 4 -19 1331.77 1399.29 71.96 o
6 4 -19 1310.93 1446.04 73.32 o
-5 5 -19 115.01 198.81 81.56 o
-3 5 -19 354.55 413.85 53.24 o
-1 5 -19 313.20 323.73 90.56 o
1 5 -19 395.66 351.36 54.58 o
3 5 -19 336.95 378.52 54.68 o
5 5 -19 207.78 153.66 58.29 o
-2 6 -19 2517.15 2564.25 260.55 o
0 6 -19 1948.88 2148.36 72.49 o
2 6 -19 1796.34 1716.51 73.50 o
4 6 -19 1112.43 1253.38 71.02 o
-1 7 -19 251.09 170.32 60.01 o
1 7 -19 152.25 86.96 132.85 o
-6 0 -18 2025.04 1908.88 104.53 o
-4 0 -18 7002.97 6666.56 181.44 o
-2 0 -18 4712.13 4756.52 141.09 o
0 0 -18 2212.13 1952.97 72.30 o
2 0 -18 8191.10 7907.57 172.85 o
4 0 -18 74.35 114.53 58.15 o
6 0 -18 2676.62 2755.49 106.70 o
8 0 -18 3006.03 3135.41 125.47 o
-7 1 -18 245.32 253.29 61.72 o
-5 1 -18 186.99 161.19 50.50 o
-3 1 -18 841.59 780.78 47.15 o
-1 1 -18 3903.19 3768.25 79.54 o
1 1 -18 3637.22 3477.99 72.67 o
3 1 -18 287.55 296.21 38.68 o
5 1 -18 116.86 124.84 46.37 o
7 1 -18 160.79 95.07 54.53 o
-6 2 -18 2158.19 2122.58 132.05 o
-4 2 -18 1133.84 1203.82 57.35 o
-2 2 -18 385.94 433.81 84.15 o
0 2 -18 2303.75 2236.03 71.55 o
2 2 -18 252.50 206.04 38.66 o
4 2 -18 3874.21 3904.00 150.48 o
6 2 -18 3376.55 3381.44 83.68 o
-5 3 -18 1884.26 1761.05 131.98 o
-3 3 -18 2576.87 2646.95 160.24 o
-1 3 -18 342.41 364.14 54.00 o
1 3 -18 229.71 222.10 45.06 o
3 3 -18 3103.74 3023.73 101.43 o
5 3 -18 1155.77 1151.66 128.93 o
7 3 -18 3660.28 3664.72 92.30 o
-6 4 -18 2085.20 2111.41 77.20 o
-4 4 -18 808.34 756.85 102.85 o
-2 4 -18 1218.18 1153.10 57.12 o
0 4 -18 2264.77 2244.37 132.32 o
2 4 -18 165.69 91.37 47.21 o
4 4 -18 1006.70 1028.18 80.01 o
6 4 -18 1496.61 1533.83 214.81 o
-5 5 -18 2263.04 2212.13 104.47 o
-3 5 -18 32.81 60.46 86.02 o
-1 5 -18 175.59 180.85 47.73 o
1 5 -18 372.67 461.19 52.00 o
3 5 -18 2455.36 2531.05 74.99 o
5 5 -18 3871.09 3868.07 89.95 o
-4 6 -18 1557.29 1446.38 110.62 o
-2 6 -18 774.90 665.37 61.86 o
0 6 -18 1994.96 1933.08 71.49 o
2 6 -18 2317.12 2319.33 75.23 o
4 6 -18 1195.97 1272.29 67.52 o
-3 7 -18 995.22 1031.21 69.76 o
-1 7 -18 420.36 300.86 61.20 o
1 7 -18 422.51 510.37 57.60 o
3 7 -18 946.25 834.89 69.02 o
-7 1 -17 706.84 705.30 112.16 o
-5 1 -17 2067.81 1871.59 65.34 o
-3 1 -17 5491.73 5305.93 146.30 o
-1 1 -17 2021.35 2041.09 60.27 o
1 1 -17 1956.03 1854.56 49.88 o
3 1 -17 1716.42 1607.20 49.82 o
5 1 -17 1129.62 1233.33 54.26 o
7 1 -17 1433.94 1341.94 64.60 o
-6 2 -17 456.58 489.54 56.28 o
-4 2 -17 3284.19 3060.91 75.73 o
-2 2 -17 4061.62 4077.82 110.17 o
0 2 -17 484.36 473.84 36.98 o
2 2 -17 114.63 109.09 39.52 o
4 2 -17 1049.60 1128.86 48.14 o
6 2 -17 1788.22 1848.20 142.62 o
8 2 -17 1769.15 1845.63 76.18 o
-7 3 -17 247.78 226.07 60.53 o
-5 3 -17 426.37 472.26 145.26 o
-3 3 -17 1100.65 1081.83 48.57 o
-1 3 -17 1801.94 1830.46 128.15 o
1 3 -17 8902.87 8754.65 185.28 o
3 3 -17 1313.97 1185.76 49.09 o
5 3 -17 556.55 534.28 52.42 o
7 3 -17 251.26 282.23 94.52 o
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-2 4 -17 562.01 503.42 49.28 o
0 4 -17 3541.64 3483.81 76.08 o
2 4 -17 6325.51 6226.26 189.55 o
4 4 -17 763.19 857.35 52.07 o
6 4 -17 124.29 116.54 146.94 o
-5 5 -17 284.60 324.26 57.02 o
-3 5 -17 45.69 29.80 67.40 o
-1 5 -17 344.52 369.64 59.03 o
1 5 -17 31.63 46.13 43.69 o
3 5 -17 522.85 456.82 78.67 o
5 5 -17 612.68 658.13 57.76 o
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-2 6 -17 613.48 690.21 55.93 o
0 6 -17 2081.61 2110.63 179.98 o
2 6 -17 2834.13 2983.79 77.76 o
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1 7 -17 210.05 237.37 54.07 o
3 7 -17 3976.00 4110.17 236.73 o
-2 8 -17 1276.75 1239.54 110.67 o
0 8 -17 1224.33 1207.55 69.82 o
2 8 -17 66.45 73.32 57.76 o
-8 0 -16 4760.90 4423.80 146.97 o
-6 0 -16 9146.81 8804.26 209.22 o
-4 0 -16 417.75 403.31 55.51 o
-2 0 -16 593.54 555.16 53.50 o
0 0 -16 2218.39 2212.42 66.01 o
2 0 -16 1338.99 1317.20 58.68 o
4 0 -16 17104.91 16887.89 239.49 o
6 0 -16 3639.01 3737.93 109.64 o
8 0 -16 84.47 -5.66 74.89 o
-7 1 -16 9.89 -26.50 53.21 o
-5 1 -16 1338.07 1241.09 57.83 o
-3 1 -16 4413.96 4364.26 105.40 o
-1 1 -16 30.69 13.41 38.64 o
1 1 -16 5163.16 4713.95 92.85 o
3 1 -16 114.63 115.48 32.92 o
5 1 -16 1151.73 1178.99 47.97 o
7 1 -16 3524.01 3527.52 82.64 o
9 1 -16 221.74 246.10 59.35 o
-8 2 -16 479.09 435.90 63.81 o
-6 2 -16 1319.79 1307.11 92.29 o
-4 2 -16 3396.22 3371.79 79.64 o
-2 2 -16 1992.12 2021.50 81.87 o
0 2 -16 72.57 41.03 30.84 o
2 2 -16 644.34 699.33 38.72 o
4 2 -16 2729.33 2721.38 58.35 o
6 2 -16 133.42 206.87 46.94 o
8 2 -16 2802.38 2843.72 83.35 o
-7 3 -16 2766.68 2591.59 81.57 o
-5 3 -16 893.36 864.31 56.26 o
-3 3 -16 354.02 400.87 64.76 o
-1 3 -16 213.03 214.07 36.66 o
1 3 -16 2668.01 2555.33 116.86 o
3 3 -16 5922.12 5928.34 106.53 o
5 3 -16 7522.41 7581.06 131.94 o
7 3 -16 6.85 162.65 81.62 o
-6 4 -16 94.04 130.56 53.15 o
-4 4 -16 2458.46 2469.52 104.74 o
-2 4 -16 3507.39 3316.46 128.92 o
0 4 -16 4075.60 4029.96 124.23 o
2 4 -16 1698.00 1625.06 88.66 o
4 4 -16 865.70 1077.73 52.43 o
6 4 -16 175.63 84.29 51.51 o
8 4 -16 2270.29 2363.76 83.43 o
-5 5 -16 200.07 219.33 54.08 o
-3 5 -16 4754.41 4887.97 106.09 o
-1 5 -16 3478.16 3275.12 70.00 o
1 5 -16 1487.46 1469.51 50.89 o
3 5 -16 4039.39 3999.67 114.76 o
5 5 -16 285.50 302.47 52.78 o
7 5 -16 1339.08 1421.95 71.89 o
-6 6 -16 310.63 360.14 59.48 o
-4 6 -16 91.73 66.01 62.17 o
-2 6 -16 1112.29 1135.25 196.16 o
0 6 -16 3144.53 3157.63 75.10 o
2 6 -16 1566.19 1500.85 63.62 o
4 6 -16 210.59 301.04 50.64 o
6 6 -16 380.70 390.57 61.54 o
-3 7 -16 635.74 578.13 61.33 o
-1 7 -16 226.93 280.82 51.07 o
1 7 -16 1326.88 1295.77 65.26 o
3 7 -16 967.53 863.42 64.37 o
5 7 -16 1848.47 1869.55 75.55 o
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0 8 -16 1176.20 1115.74 68.28 o
2 8 -16 661.62 649.32 65.02 o
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1 1 -15 16756.48 16084.10 160.62 o
3 1 -15 3358.46 3201.42 68.58 o
5 1 -15 803.70 870.04 42.68 o
7 1 -15 1227.12 1204.41 128.11 o
9 1 -15 90.74 147.72 55.49 o
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0 2 -15 2491.18 2496.72 54.35 o
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4 2 -15 2872.01 2814.36 59.54 o
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1 3 -15 2031.35 1923.34 47.10 o
3 3 -15 2412.43 2371.28 107.84 o
5 3 -15 2150.85 2181.73 64.11 o
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-2 4 -15 4049.32 3974.87 180.33 o
0 4 -15 2921.88 3039.84 126.64 o
2 4 -15 49.39 9.11 55.25 o
4 4 -15 2306.68 2394.16 57.49 o
6 4 -15 2510.49 2543.25 72.90 o
8 4 -15 1622.29 1625.70 149.15 o
-7 5 -15 883.95 827.84 70.78 o
-5 5 -15 62.50 31.48 49.34 o
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-1 5 -15 492.61 529.25 41.96 o
1 5 -15 352.46 298.18 39.69 o
3 5 -15 884.52 938.20 46.74 o
5 5 -15 478.15 568.62 69.17 o
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0 6 -15 1105.47 1121.52 141.77 o
2 6 -15 35.90 28.01 44.24 o
4 6 -15 54.07 -9.00 68.97 o
6 6 -15 514.58 574.72 58.15 o
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1 7 -15 1909.01 1869.27 68.41 o
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8 0 -14 3295.10 3211.31 113.90 o
-9 1 -14 902.12 965.70 89.63 o
-7 1 -14 1483.86 1538.68 65.22 o
-5 1 -14 2.58 -1.95 48.89 o
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-1 1 -14 6023.98 5789.36 103.75 o
1 1 -14 5895.52 5757.16 89.91 o
3 1 -14 2847.89 2771.65 81.34 o
5 1 -14 875.57 822.99 52.63 o
7 1 -14 2249.00 2363.02 67.91 o
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0 2 -14 1394.45 1313.70 38.73 o
2 2 -14 960.32 944.82 36.19 o
4 2 -14 8702.99 8547.76 119.11 o
6 2 -14 4036.34 4078.83 135.75 o
8 2 -14 2582.65 2557.21 76.91 o
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-5 3 -14 211.71 195.61 40.81 o
-3 3 -14 2651.93 2573.16 79.44 o
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-8 4 -14 489.77 517.15 65.46 o
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