#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2012675.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_2012675_Fobs
loop_
_publ_author_name
'Naumov, Dmitry Yu.'
'Naumova, Marina I.'
'Kuratieva, Natalia V.'
'Boldyreva, Elena V.'
'Howard, Judith A. K.'
_publ_section_title
;
 Copper(II) hypophosphite: the \a- and \b-forms at 270 and 100K, and
 the \g-form at 270K
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i55
_journal_page_last               i60
_journal_volume                  58
_journal_year                    2002
_space_group_IT_number           51
_symmetry_space_group_name_Hall  '-P 2a 2a'
_symmetry_space_group_name_H-M   'P m m a'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   6.6738
_cell_length_b                   5.4133
_cell_length_c                   7.1954
_exptl_crystal_F_000             190.00
_reflns_d_resolution_high        0.7309
_[local]_cod_data_source_file    av1101gamma270sup6.hkl
_[local]_cod_data_source_block   gamma270
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' g-Cu(H2PO2)2 in Pmma, T=270K'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            85.17
_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, z'
'-x, y, -z'
'x+1/2, -y, -z'
'-x, -y, -z'
'x-1/2, y, -z'
'x, -y, z'
'-x-1/2, y, 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
2 0 0 5.12 4.65 5.19 o
4 0 0 6239.97 6278.43 116.94 o
6 0 0 3.97 5.78 15.68 o
8 0 0 563.55 590.78 22.00 o
0 1 0 6096.92 6271.33 158.74 o
2 1 0 4170.29 3985.73 103.40 o
4 1 0 1787.15 1721.95 74.60 o
6 1 0 266.54 268.53 18.90 o
8 1 0 288.56 285.22 35.96 o
0 2 0 7253.20 7477.23 190.88 o
2 2 0 1818.24 1832.40 28.53 o
4 2 0 2202.20 2143.02 61.00 o
6 2 0 99.15 92.25 11.56 o
8 2 0 314.29 296.55 20.13 o
0 3 0 2541.70 2615.73 71.38 o
2 3 0 1905.80 1927.70 50.78 o
4 3 0 1027.04 997.72 38.28 o
6 3 0 207.51 206.39 19.74 o
8 3 0 205.54 202.63 28.39 o
0 4 0 5231.67 5269.39 140.44 o
2 4 0 30.85 24.40 8.32 o
4 4 0 1965.08 2001.10 50.21 o
6 4 0 13.00 8.41 22.66 o
0 5 0 427.81 434.96 20.10 o
2 5 0 1007.57 1006.65 24.05 o
4 5 0 260.77 252.54 26.89 o
6 5 0 188.64 186.95 23.26 o
0 6 0 757.35 752.33 35.36 o
2 6 0 179.15 177.26 14.09 o
4 6 0 374.00 374.67 30.95 o
0 7 0 168.66 189.51 26.12 o
2 7 0 261.24 270.30 24.20 o
0 0 1 5868.36 5831.70 214.41 o
1 0 1 1.35 4.45 2.50 o
2 0 1 907.56 902.96 31.72 o
3 0 1 301.56 306.63 13.18 o
4 0 1 1837.05 1868.35 39.18 o
5 0 1 159.98 144.67 23.32 o
6 0 1 666.09 654.59 46.99 o
7 0 1 1.57 28.80 16.34 o
8 0 1 261.08 262.09 23.08 o
0 1 1 265.59 261.72 6.44 o
1 1 1 2122.41 2144.49 28.55 o
2 1 1 5145.76 5160.46 73.23 o
3 1 1 54.87 38.11 10.38 o
4 1 1 331.97 324.94 16.58 o
5 1 1 677.22 689.77 18.43 o
6 1 1 1281.15 1306.91 39.78 o
7 1 1 23.83 19.91 9.72 o
8 1 1 134.71 146.53 20.36 o
0 2 1 602.39 587.62 17.95 o
1 2 1 62.51 66.38 3.18 o
2 2 1 3125.32 3199.61 49.79 o
3 2 1 69.83 68.45 6.85 o
4 2 1 459.05 496.70 11.89 o
5 2 1 150.11 138.77 18.72 o
6 2 1 923.51 909.59 19.07 o
7 2 1 0.03 23.73 14.14 o
8 2 1 142.31 149.25 27.73 o
0 3 1 507.83 492.85 14.96 o
1 3 1 660.11 638.84 10.28 o
2 3 1 2139.20 2128.71 57.78 o
3 3 1 52.24 38.09 9.50 o
4 3 1 317.05 345.18 15.74 o
5 3 1 323.04 334.42 15.80 o
6 3 1 735.59 751.19 30.89 o
7 3 1 12.14 0.12 17.59 o
8 3 1 123.52 125.84 14.40 o
0 4 1 1651.01 1694.55 29.54 o
1 4 1 11.74 24.00 5.97 o
2 4 1 311.79 324.99 9.32 o
3 4 1 81.59 80.39 11.12 o
4 4 1 776.72 784.95 30.23 o
5 4 1 16.15 30.94 10.67 o
6 4 1 255.24 248.55 31.01 o
7 4 1 2.70 8.18 14.42 o
0 5 1 92.01 93.49 9.16 o
1 5 1 208.65 219.48 6.49 o
2 5 1 1084.87 1096.32 16.43 o
3 5 1 39.48 52.40 13.55 o
4 5 1 99.17 92.67 23.02 o
5 5 1 102.60 86.86 14.07 o
6 5 1 385.98 395.07 26.30 o
0 6 1 226.16 246.10 28.62 o
1 6 1 3.06 16.46 6.67 o
2 6 1 349.55 327.87 11.17 o
3 6 1 16.11 27.79 17.41 o
4 6 1 153.64 143.22 11.52 o
5 6 1 3.19 20.99 21.83 o
0 7 1 108.60 89.27 21.89 o
1 7 1 41.49 38.11 12.48 o
2 7 1 228.51 221.64 19.59 o
0 0 2 1518.53 1533.40 38.28 o
1 0 2 2991.80 2946.71 34.78 o
2 0 2 261.01 255.78 7.42 o
3 0 2 1141.65 1147.63 25.52 o
4 0 2 1455.92 1466.55 35.00 o
5 0 2 588.87 608.13 15.98 o
6 0 2 727.95 728.00 32.26 o
7 0 2 149.27 166.85 16.16 o
8 0 2 500.58 487.86 26.48 o
0 1 2 924.25 905.76 27.37 o
1 1 2 3.98 6.47 3.30 o
2 1 2 759.30 740.03 11.88 o
3 1 2 0.00 7.45 3.01 o
4 1 2 1017.91 1006.96 17.37 o
5 1 2 41.14 37.45 15.21 o
6 1 2 746.28 753.62 19.59 o
7 1 2 19.39 19.44 19.08 o
8 1 2 443.78 435.20 28.68 o
0 2 2 6.58 11.07 4.30 o
1 2 2 629.97 623.24 8.50 o
2 2 2 2156.24 2100.60 33.48 o
3 2 2 310.70 319.69 12.11 o
4 2 2 303.80 297.87 24.93 o
5 2 2 239.04 252.72 17.47 o
6 2 2 981.06 993.66 28.98 o
7 2 2 66.81 53.78 13.03 o
8 2 2 296.77 283.67 33.69 o
0 3 2 871.29 865.81 33.93 o
1 3 2 0.21 2.41 4.05 o
2 3 2 425.06 426.81 6.84 o
3 3 2 0.84 6.12 4.13 o
4 3 2 746.08 748.87 33.16 o
5 3 2 13.20 24.18 7.94 o
6 3 2 441.55 435.39 16.75 o
7 3 2 7.53 23.47 11.01 o
8 3 2 322.32 317.25 35.36 o
0 4 2 602.35 634.49 19.37 o
1 4 2 573.85 580.85 12.30 o
2 4 2 302.96 297.72 11.24 o
3 4 2 318.04 327.50 13.00 o
4 4 2 529.49 510.14 17.96 o
5 4 2 174.52 186.65 17.35 o
6 4 2 315.58 310.35 12.58 o
7 4 2 45.96 36.35 16.41 o
0 5 2 305.87 326.22 17.14 o
1 5 2 19.50 26.78 7.18 o
2 5 2 306.46 293.64 16.42 o
3 5 2 12.34 17.63 9.58 o
4 5 2 278.85 269.25 12.35 o
5 5 2 0.02 25.61 13.21 o
6 5 2 243.52 243.78 20.63 o
0 6 2 52.46 47.11 15.56 o
1 6 2 69.65 62.12 8.41 o
2 6 2 394.94 390.96 16.52 o
3 6 2 38.68 48.19 11.54 o
4 6 2 87.23 82.78 17.47 o
0 7 2 210.35 208.42 26.18 o
1 7 2 9.28 47.00 16.31 o
2 7 2 65.52 62.44 29.46 o
0 0 3 3738.85 3943.63 103.58 o
1 0 3 135.58 145.05 6.76 o
2 0 3 1145.28 1108.56 23.53 o
3 0 3 70.24 72.10 13.89 o
4 0 3 1557.76 1534.70 20.73 o
5 0 3 54.81 49.44 11.27 o
6 0 3 225.36 219.51 16.58 o
7 0 3 31.70 58.08 20.99 o
8 0 3 361.67 408.48 32.62 o
0 1 3 5778.61 5776.13 86.53 o
1 1 3 101.19 96.32 5.67 o
2 1 3 283.59 289.85 7.07 o
3 1 3 609.67 614.63 19.08 o
4 1 3 2367.83 2360.62 53.55 o
5 1 3 0.77 14.90 6.68 o
6 1 3 91.21 77.70 20.10 o
7 1 3 79.03 58.73 14.62 o
8 1 3 418.38 359.88 36.85 o
0 2 3 824.89 779.82 27.13 o
1 2 3 57.54 65.16 3.80 o
2 2 3 2245.35 2224.53 36.41 o
3 2 3 303.10 299.72 7.24 o
4 2 3 566.48 534.25 32.74 o
5 2 3 0.06 6.20 12.70 o
6 2 3 374.75 374.49 26.95 o
7 2 3 54.56 66.45 11.61 o
8 2 3 221.81 212.95 41.39 o
0 3 3 3394.87 3394.65 96.90 o
1 3 3 36.50 40.72 5.61 o
2 3 3 103.87 114.87 5.52 o
3 3 3 224.20 232.90 12.50 o
4 3 3 1561.44 1566.37 44.25 o
5 3 3 0.20 20.20 9.18 o
6 3 3 65.63 55.40 27.61 o
7 3 3 37.23 25.64 13.05 o
0 4 3 850.78 829.26 22.30 o
1 4 3 38.22 38.48 8.42 o
2 4 3 548.44 552.12 11.90 o
3 4 3 3.02 14.73 12.05 o
4 4 3 508.20 515.33 16.00 o
5 4 3 21.10 23.65 11.14 o
6 4 3 155.07 123.80 22.00 o
0 5 3 994.45 969.29 21.26 o
1 5 3 32.09 34.43 8.99 o
2 5 3 113.53 123.13 11.64 o
3 5 3 78.97 84.75 19.16 o
4 5 3 539.74 543.85 28.68 o
5 5 3 1.47 16.01 16.79 o
6 5 3 71.40 97.97 17.10 o
0 6 3 78.92 95.59 23.50 o
1 6 3 1.69 22.26 9.52 o
2 6 3 477.41 469.45 18.90 o
3 6 3 14.56 45.56 13.18 o
4 6 3 82.30 105.09 15.56 o
0 7 3 420.34 449.75 38.58 o
1 7 3 1.92 24.92 15.11 o
0 0 4 1133.04 1160.63 31.78 o
1 0 4 3.13 15.85 5.08 o
2 0 4 3658.17 3686.08 57.89 o
3 0 4 8.48 15.28 5.18 o
4 0 4 200.46 206.84 9.73 o
5 0 4 22.85 15.18 13.06 o
6 0 4 693.56 709.51 30.00 o
8 0 4 15.28 40.97 24.39 o
0 1 4 1989.10 1992.54 40.84 o
1 1 4 4.36 10.24 4.84 o
2 1 4 1978.34 1959.29 25.59 o
3 1 4 42.61 35.90 4.19 o
4 1 4 529.13 531.69 19.86 o
5 1 4 5.15 12.35 6.76 o
6 1 4 457.62 468.24 29.70 o
7 1 4 2.72 11.45 17.23 o
8 1 4 31.39 37.23 11.84 o
0 2 4 159.16 165.06 7.12 o
1 2 4 373.57 376.27 7.82 o
2 2 4 4099.62 4041.79 102.36 o
3 2 4 104.89 91.78 7.48 o
4 2 4 32.92 28.68 11.27 o
5 2 4 115.51 114.79 18.72 o
6 2 4 747.64 773.91 29.88 o
0 3 4 1300.98 1324.66 30.97 o
1 3 4 15.49 21.62 5.39 o
2 3 4 896.29 924.35 22.22 o
3 3 4 36.93 37.55 7.83 o
4 3 4 435.41 411.88 27.19 o
5 3 4 0.31 26.30 15.44 o
6 3 4 268.97 267.04 30.65 o
7 3 4 3.14 2.39 30.95 o
0 4 4 284.62 259.04 16.58 o
1 4 4 4.17 15.70 6.36 o
2 4 4 1218.44 1205.85 36.75 o
3 4 4 0.31 9.72 16.34 o
4 4 4 112.40 102.66 11.89 o
5 4 4 6.35 29.34 19.86 o
6 4 4 302.84 255.29 22.91 o
0 5 4 486.43 456.88 14.58 o
1 5 4 2.67 9.19 7.38 o
2 5 4 359.05 358.75 24.37 o
3 5 4 7.46 20.14 12.76 o
4 5 4 211.57 182.36 18.99 o
0 6 4 39.41 77.54 16.24 o
1 6 4 51.47 58.25 12.21 o
2 6 4 578.84 566.97 22.93 o
3 6 4 21.33 22.54 24.69 o
0 0 5 1131.07 1166.06 36.38 o
1 0 5 19.98 9.42 5.29 o
2 0 5 241.81 241.85 8.40 o
3 0 5 189.56 183.30 7.20 o
4 0 5 813.38 786.97 36.26 o
5 0 5 0.01 18.01 13.60 o
6 0 5 187.78 169.31 14.53 o
7 0 5 62.40 69.47 24.45 o
0 1 5 943.76 897.11 33.93 o
1 1 5 319.51 330.22 7.47 o
2 1 5 299.32 307.68 10.10 o
3 1 5 608.96 604.26 29.70 o
4 1 5 699.48 679.14 21.72 o
5 1 5 39.41 39.75 10.62 o
6 1 5 197.88 198.03 22.53 o
7 1 5 103.20 77.58 22.00 o
0 2 5 566.07 551.73 15.59 o
1 2 5 117.15 111.26 8.96 o
2 2 5 391.07 403.70 16.06 o
3 2 5 0.43 16.74 6.92 o
4 2 5 483.35 516.30 24.65 o
5 2 5 38.13 6.74 17.71 o
6 2 5 214.98 224.58 19.26 o
7 2 5 13.06 10.91 31.55 o
0 3 5 683.25 640.99 30.89 o
1 3 5 241.79 236.84 10.23 o
2 3 5 181.94 179.79 10.76 o
3 3 5 367.43 321.06 25.22 o
4 3 5 488.91 491.31 28.98 o
5 3 5 31.08 35.90 16.76 o
6 3 5 139.29 130.23 14.76 o
0 4 5 448.84 484.70 21.29 o
1 4 5 0.09 19.06 10.72 o
2 4 5 152.24 164.71 10.01 o
3 4 5 28.58 38.54 12.01 o
4 4 5 337.14 327.88 13.55 o
5 4 5 0.62 14.19 19.74 o
6 4 5 112.99 146.92 18.19 o
0 5 5 233.06 232.21 18.70 o
1 5 5 58.87 81.13 8.79 o
2 5 5 152.84 132.24 12.32 o
3 5 5 90.56 91.64 12.72 o
4 5 5 187.17 194.45 17.48 o
0 6 5 120.92 142.88 24.81 o
1 6 5 45.66 61.88 15.36 o
2 6 5 126.66 92.37 26.60 o
0 0 6 845.28 845.41 35.12 o
1 0 6 74.78 86.04 9.60 o
2 0 6 44.41 45.20 17.29 o
3 0 6 147.85 141.99 14.97 o
4 0 6 672.93 684.11 29.64 o
5 0 6 19.48 40.40 12.17 o
0 1 6 163.49 140.26 19.44 o
1 1 6 7.54 29.50 8.10 o
2 1 6 437.35 437.96 15.62 o
3 1 6 56.85 62.60 6.60 o
4 1 6 249.75 281.10 12.64 o
5 1 6 3.32 10.44 14.43 o
6 1 6 275.31 276.70 22.12 o
7 1 6 27.60 6.80 21.23 o
0 2 6 562.38 572.99 19.51 o
1 2 6 353.54 355.17 10.06 o
2 2 6 80.04 85.97 8.92 o
3 2 6 352.90 319.39 19.20 o
4 2 6 476.74 452.67 25.70 o
5 2 6 78.69 76.69 18.19 o
6 2 6 147.15 161.78 23.91 o
0 3 6 128.91 119.75 11.18 o
1 3 6 0.03 21.96 8.44 o
2 3 6 305.46 315.26 9.82 o
3 3 6 12.73 26.60 8.92 o
4 3 6 177.79 205.10 14.00 o
5 3 6 0.04 24.27 17.23 o
6 3 6 194.42 173.21 17.21 o
0 4 6 401.48 414.83 26.24 o
1 4 6 21.91 24.35 11.26 o
2 4 6 39.64 36.75 17.53 o
3 4 6 37.21 20.35 13.06 o
4 4 6 306.36 289.40 25.76 o
5 4 6 3.93 25.64 18.48 o
1 5 6 0.04 0.12 19.02 o
2 5 6 205.11 196.37 21.53 o
3 5 6 4.27 9.20 18.02 o
0 0 7 492.56 468.77 25.34 o
1 0 7 127.12 128.69 16.64 o
2 0 7 501.56 499.01 31.61 o
3 0 7 20.26 31.98 17.17 o
4 0 7 184.60 180.45 19.98 o
5 0 7 73.82 105.01 19.44 o
0 1 7 47.89 33.51 12.17 o
1 1 7 11.18 10.85 14.25 o
2 1 7 1184.31 1230.59 31.01 o
3 1 7 3.06 22.07 9.45 o
4 1 7 25.10 43.53 13.43 o
5 1 7 22.29 7.57 18.84 o
6 1 7 315.69 314.86 24.99 o
0 2 7 439.90 426.68 15.79 o
1 2 7 3.50 0.77 9.70 o
2 2 7 362.17 365.53 16.51 o
3 2 7 4.61 6.10 12.86 o
4 2 7 175.65 188.70 30.56 o
5 2 7 12.34 54.73 18.07 o
0 3 7 47.24 78.48 20.81 o
1 3 7 10.13 30.51 10.02 o
2 3 7 712.51 698.77 17.09 o
3 3 7 0.35 17.15 10.71 o
4 3 7 30.24 23.11 12.35 o
5 3 7 14.79 27.86 16.44 o
0 4 7 269.65 314.79 17.91 o
1 4 7 43.77 40.64 8.94 o
2 4 7 177.62 182.19 17.79 o
3 4 7 8.93 60.77 27.61 o
4 4 7 125.49 117.12 27.31 o
0 5 7 25.30 64.12 17.70 o
1 5 7 0.02 20.91 16.93 o
0 0 8 721.13 708.50 30.95 o
1 0 8 100.74 121.33 17.71 o
2 0 8 74.63 69.75 15.03 o
3 0 8 141.43 153.40 17.87 o
4 0 8 355.29 327.09 21.91 o
5 0 8 9.30 32.62 21.47 o
0 1 8 467.62 449.93 33.04 o
1 1 8 14.48 28.75 8.51 o
2 1 8 147.69 151.73 12.16 o
3 1 8 1.38 46.51 23.50 o
4 1 8 254.60 282.84 30.59 o
5 1 8 10.81 19.38 21.71 o
0 2 8 631.45 665.74 27.55 o
1 2 8 10.59 24.33 17.71 o
2 2 8 50.36 35.04 9.88 o
3 2 8 35.45 39.86 11.29 o
4 2 8 316.24 273.55 20.73 o
0 3 8 290.63 274.25 17.73 o
1 3 8 7.19 18.07 26.36 o
2 3 8 116.72 129.97 10.43 o
3 3 8 1.01 23.44 14.69 o
0 4 8 281.94 308.66 28.98 o
1 4 8 42.78 52.43 22.63 o
2 4 8 56.66 99.53 25.70 o
0 0 9 12.25 13.00 18.31 o
1 0 9 0.37 20.10 19.38 o
2 0 9 175.86 189.99 25.94 o
3 0 9 2.92 8.41 25.34 o
0 1 9 73.87 64.16 19.92 o
1 1 9 99.14 106.50 34.86 o
2 1 9 72.73 64.36 13.58 o
3 1 9 30.29 42.75 14.51 o
0 2 9 30.87 13.73 12.99 o
1 2 9 12.98 46.74 16.26 o
2 2 9 108.22 95.80 21.47 o