#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2202040.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_2202040_Fobs
loop_
_publ_author_name
'Kuratieva, Natalia V.'
'Naumova, Marina I.'
'Naumov, Dmitry Yu.'
'Podberezskaya, Nina V.'
_publ_section_title
;
 A new polymorph of hexaaquamagnesium(II) bis(hypophosphite)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i89
_journal_page_last               i91
_journal_volume                  59
_journal_year                    2003
_space_group_IT_number           137
_symmetry_space_group_name_Hall  '-P 4ac 2a'
_symmetry_space_group_name_H-M   'P 42/n m c :2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   7.2187
_cell_length_b                   7.2187
_cell_length_c                   10.4639
_exptl_crystal_F_000             276.00
_reflns_d_resolution_high        0.7306
_[local]_cod_data_source_file    mg6022Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     'b-[Mg(H2O)6](H2PO2)2 in P4(2)/nmc'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            93.01
_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'
'-y+1/2, x, z+1/2'
'y, -x+1/2, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y, -z'
'y+1/2, x+1/2, -z+1/2'
'-y, -x, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'y-1/2, -x, -z-1/2'
'-y, x-1/2, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y, z'
'-y-1/2, -x-1/2, z-1/2'
'y, x, 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
1 1 0 538.61 560.08 13.24 o
0 2 0 2834.43 2870.00 65.46 o
2 2 0 6456.77 6291.53 61.38 o
1 3 0 7.63 9.21 4.68 o
3 3 0 1279.35 1254.94 35.17 o
0 4 0 5818.76 5722.00 239.31 o
2 4 0 839.64 838.61 20.88 o
4 4 0 851.80 877.07 35.31 o
1 5 0 155.80 153.54 11.17 o
3 5 0 177.10 177.11 12.81 o
5 5 0 24.91 26.12 12.42 o
0 6 0 2394.04 2255.40 99.32 o
2 6 0 815.70 799.85 25.23 o
4 6 0 723.55 720.20 44.92 o
6 6 0 331.26 349.79 30.32 o
1 7 0 91.48 77.01 10.89 o
3 7 0 9.19 9.12 8.25 o
5 7 0 96.82 99.41 13.62 o
0 8 0 160.80 148.75 14.69 o
2 8 0 209.73 205.49 17.25 o
4 8 0 52.22 56.18 11.97 o
1 9 0 0.78 -9.62 9.62 o
3 9 0 0.12 5.05 12.38 o
0 1 1 1653.90 1578.42 30.80 o
0 2 1 968.85 955.59 18.02 o
1 2 1 702.50 734.46 13.64 o
0 3 1 834.05 864.63 17.01 o
1 3 1 352.41 372.32 11.74 o
2 3 1 1261.56 1287.70 22.56 o
0 4 1 96.46 90.00 7.73 o
1 4 1 640.51 634.53 17.28 o
2 4 1 23.28 20.32 6.12 o
3 4 1 6.46 4.98 6.59 o
0 5 1 886.69 875.63 31.22 o
1 5 1 13.11 14.74 6.61 o
2 5 1 19.62 18.06 7.48 o
3 5 1 109.33 116.56 11.04 o
4 5 1 235.35 239.14 15.26 o
0 6 1 10.75 15.17 7.44 o
1 6 1 51.55 52.35 9.38 o
2 6 1 114.93 115.16 11.48 o
3 6 1 1.51 2.10 7.46 o
4 6 1 27.42 35.86 9.12 o
5 6 1 33.22 32.12 10.02 o
0 7 1 3.68 9.18 7.45 o
1 7 1 1.62 0.79 6.77 o
2 7 1 158.67 162.01 14.36 o
3 7 1 6.38 16.48 8.42 o
4 7 1 18.71 15.85 9.39 o
5 7 1 2.16 1.55 8.29 o
6 7 1 0.42 1.64 8.59 o
0 8 1 3.83 1.25 8.16 o
1 8 1 36.74 40.09 10.36 o
2 8 1 1.13 2.85 8.16 o
3 8 1 37.57 38.05 11.08 o
4 8 1 0.00 -0.52 9.14 o
5 8 1 3.98 -9.24 9.24 o
0 9 1 6.61 2.08 10.85 o
1 9 1 5.71 7.92 9.53 o
2 9 1 3.19 3.11 9.39 o
3 9 1 0.02 -9.29 10.94 o
4 9 1 1.86 2.46 10.49 o
0 0 2 579.45 627.12 13.99 o
0 1 2 1304.29 1281.19 15.22 o
1 1 2 3272.65 3267.53 36.73 o
0 2 2 8650.90 8781.26 48.05 o
1 2 2 0.02 -3.27 4.46 o
2 2 2 29.60 28.78 7.03 o
0 3 2 7.60 -0.59 10.08 o
1 3 2 520.54 494.19 23.87 o
2 3 2 229.12 237.42 10.87 o
3 3 2 841.27 867.07 29.78 o
0 4 2 358.40 372.51 20.54 o
1 4 2 11.89 0.55 5.74 o
2 4 2 494.60 509.29 16.75 o
3 4 2 38.87 40.15 7.47 o
4 4 2 155.55 146.56 16.95 o
0 5 2 336.01 326.85 14.99 o
1 5 2 1252.24 1204.25 27.24 o
2 5 2 18.39 16.46 7.54 o
3 5 2 154.48 171.16 12.78 o
4 5 2 20.73 3.78 15.16 o
5 5 2 732.29 757.45 38.25 o
0 6 2 335.61 321.41 33.02 o
1 6 2 68.77 67.23 9.82 o
2 6 2 289.38 278.85 15.73 o
3 6 2 0.36 0.83 6.50 o
4 6 2 85.69 85.20 11.38 o
5 6 2 41.46 40.60 10.54 o
6 6 2 104.80 96.86 19.65 o
0 7 2 25.85 31.19 8.77 o
1 7 2 230.10 228.49 16.10 o
2 7 2 0.93 0.96 7.66 o
3 7 2 277.92 276.72 18.44 o
4 7 2 1.03 -2.33 8.74 o
5 7 2 61.34 58.99 11.98 o
6 7 2 4.95 5.91 10.16 o
0 8 2 151.99 146.43 14.38 o
1 8 2 3.73 -1.41 9.62 o
2 8 2 3.82 -6.07 9.25 o
3 8 2 13.74 -0.88 16.47 o
4 8 2 36.93 37.93 11.39 o
5 8 2 0.14 -3.12 10.54 o
0 9 2 3.18 -2.20 8.24 o
1 9 2 73.11 85.28 13.50 o
2 9 2 3.06 4.74 10.71 o
3 9 2 19.33 14.55 11.32 o
0 1 3 606.09 617.95 12.78 o
0 2 3 5.13 0.83 4.88 o
1 2 3 1053.09 1153.50 19.41 o
0 3 3 120.48 125.63 8.18 o
1 3 3 4.53 5.05 4.99 o
2 3 3 623.87 621.92 16.93 o
0 4 3 0.00 0.41 5.09 o
1 4 3 13.92 17.37 6.17 o
2 4 3 4.60 2.42 5.75 o
3 4 3 14.51 16.82 6.66 o
0 5 3 405.37 395.56 16.58 o
1 5 3 1.68 1.09 6.40 o
2 5 3 362.91 342.16 16.51 o
3 5 3 0.19 -4.97 9.46 o
4 5 3 0.34 -6.22 8.28 o
0 6 3 13.11 16.32 7.41 o
1 6 3 45.73 43.16 8.77 o
2 6 3 0.10 2.61 6.53 o
3 6 3 139.13 132.11 12.71 o
4 6 3 0.94 4.32 7.50 o
5 6 3 18.73 14.32 11.46 o
0 7 3 0.52 -1.46 7.20 o
1 7 3 0.12 2.33 7.04 o
2 7 3 13.32 17.98 8.59 o
3 7 3 0.75 -1.86 7.10 o
4 7 3 0.11 -4.24 5.77 o
5 7 3 0.03 0.64 8.88 o
6 7 3 3.56 -7.27 11.07 o
0 8 3 3.03 -4.08 8.87 o
1 8 3 10.83 12.05 8.70 o
2 8 3 5.92 8.97 8.72 o
3 8 3 13.41 7.73 9.26 o
4 8 3 0.81 6.35 8.50 o
5 8 3 15.08 11.27 11.34 o
0 9 3 41.80 48.31 12.22 o
1 9 3 1.35 5.07 9.67 o
2 9 3 1.40 -6.79 10.09 o
3 9 3 0.02 6.36 8.40 o
0 0 4 6874.62 6905.96 64.39 o
0 1 4 813.72 790.92 20.80 o
1 1 4 2.77 -0.48 6.17 o
0 2 4 391.25 351.91 11.97 o
1 2 4 11.61 10.66 4.79 o
2 2 4 5551.95 5574.64 69.64 o
0 3 4 62.58 58.88 6.92 o
1 3 4 470.39 463.34 15.11 o
2 3 4 72.26 66.75 7.85 o
3 3 4 138.34 128.82 15.04 o
0 4 4 1611.19 1580.84 29.54 o
1 4 4 36.92 35.60 6.85 o
2 4 4 1063.02 1079.21 25.50 o
3 4 4 16.68 20.03 7.43 o
4 4 4 733.74 769.41 35.02 o
0 5 4 239.47 228.70 13.91 o
1 5 4 1.51 2.97 6.11 o
2 5 4 51.61 54.17 9.07 o
3 5 4 303.93 316.72 16.83 o
4 5 4 43.73 44.01 9.01 o
5 5 4 7.90 12.21 11.74 o
0 6 4 382.84 376.43 18.35 o
1 6 4 50.61 56.33 9.13 o
2 6 4 310.98 303.70 17.33 o
3 6 4 10.68 8.60 8.36 o
4 6 4 274.74 282.72 18.34 o
5 6 4 27.62 34.63 9.70 o
6 6 4 56.56 56.36 17.43 o
0 7 4 67.77 65.15 10.58 o
1 7 4 53.94 61.73 10.21 o
2 7 4 1.20 0.44 7.55 o
3 7 4 11.14 11.29 8.70 o
4 7 4 4.46 -8.43 9.34 o
5 7 4 44.55 46.61 11.81 o
6 7 4 10.02 8.39 10.70 o
0 8 4 92.74 97.70 13.66 o
1 8 4 0.76 4.58 8.80 o
2 8 4 291.45 323.79 22.48 o
3 8 4 12.15 6.92 12.44 o
4 8 4 86.60 97.63 14.82 o
5 8 4 0.69 -13.63 22.84 o
0 9 4 1.40 3.15 9.68 o
1 9 4 15.93 7.61 10.57 o
2 9 4 0.54 -10.27 10.27 o
3 9 4 39.18 40.97 12.86 o
0 1 5 1268.77 1247.25 44.51 o
0 2 5 312.60 301.97 12.03 o
1 2 5 755.73 755.00 18.81 o
0 3 5 41.31 42.89 6.84 o
1 3 5 217.82 218.96 15.32 o
2 3 5 879.38 876.97 22.67 o
0 4 5 134.37 133.45 10.68 o
1 4 5 504.69 507.34 18.32 o
2 4 5 14.86 18.17 6.86 o
3 4 5 45.61 48.44 9.14 o
0 5 5 630.53 586.64 21.65 o
1 5 5 1.33 2.49 6.65 o
2 5 5 54.93 53.31 8.92 o
3 5 5 42.40 39.40 8.75 o
4 5 5 183.45 193.14 14.84 o
0 6 5 3.13 -7.04 7.97 o
1 6 5 68.64 71.24 10.35 o
2 6 5 14.45 10.28 8.28 o
3 6 5 8.47 16.17 8.29 o
4 6 5 13.54 1.02 11.69 o
5 6 5 34.00 36.87 10.00 o
0 7 5 0.75 -0.11 7.90 o
1 7 5 9.40 0.32 9.31 o
2 7 5 136.11 138.62 14.27 o
3 7 5 4.69 7.02 8.05 o
4 7 5 20.41 14.57 9.84 o
5 7 5 5.08 3.09 9.58 o
6 7 5 1.61 -0.49 9.31 o
0 8 5 40.79 45.04 11.00 o
1 8 5 32.73 28.48 11.12 o
2 8 5 1.71 2.34 7.36 o
3 8 5 33.90 32.05 12.15 o
4 8 5 5.62 0.95 10.37 o
0 9 5 12.78 17.17 10.15 o
1 9 5 10.47 3.26 10.82 o
2 9 5 6.55 4.79 9.49 o
0 0 6 1899.07 1855.61 41.03 o
0 1 6 46.72 46.66 6.85 o
1 1 6 1112.30 1068.73 32.37 o
0 2 6 444.42 422.25 15.48 o
1 2 6 69.44 74.84 8.36 o
2 2 6 89.36 87.46 12.62 o
0 3 6 68.00 69.54 8.50 o
1 3 6 1424.16 1379.62 28.90 o
2 3 6 58.14 64.40 9.06 o
3 3 6 2781.64 2781.59 63.33 o
0 4 6 5.96 8.16 9.85 o
1 4 6 23.40 21.45 7.66 o
2 4 6 278.25 264.81 15.34 o
3 4 6 56.15 57.68 9.01 o
4 4 6 81.00 72.18 14.89 o
0 5 6 45.27 44.85 8.81 o
1 5 6 429.85 434.07 19.39 o
2 5 6 32.80 30.90 8.54 o
3 5 6 242.92 244.41 16.30 o
4 5 6 12.22 15.68 7.89 o
5 5 6 238.85 253.17 25.82 o
0 6 6 23.36 25.94 8.06 o
1 6 6 9.48 2.77 10.15 o
2 6 6 29.93 30.63 9.40 o
3 6 6 2.60 4.55 7.76 o
4 6 6 1.74 3.69 7.75 o
5 6 6 10.35 13.26 8.96 o
6 6 6 0.01 0.00 10.26 o
0 7 6 6.61 6.61 8.11 o
1 7 6 139.13 155.36 14.96 o
2 7 6 22.87 26.25 9.59 o
3 7 6 331.68 344.85 22.15 o
4 7 6 8.85 6.84 9.68 o
5 7 6 22.09 25.84 10.87 o
0 8 6 49.37 54.39 12.23 o
1 8 6 1.33 0.00 9.15 o
2 8 6 21.81 0.39 12.60 o
3 8 6 4.95 2.75 10.10 o
4 8 6 39.48 48.74 12.51 o
0 1 7 28.53 30.65 6.97 o
0 2 7 150.89 149.90 11.20 o
1 2 7 22.69 5.55 12.31 o
0 3 7 261.65 250.97 14.26 o
1 3 7 83.05 87.66 9.99 o
2 3 7 95.98 93.54 10.63 o
0 4 7 6.66 4.47 7.43 o
1 4 7 55.71 48.88 8.89 o
2 4 7 0.36 -7.10 7.10 o
3 4 7 1.57 -5.51 6.89 o
0 5 7 115.40 113.82 11.84 o
1 5 7 0.12 -7.44 7.44 o
2 5 7 0.13 1.11 7.36 o
3 5 7 26.98 27.29 8.80 o
4 5 7 40.82 43.06 10.43 o
0 6 7 3.56 3.83 7.07 o
1 6 7 3.35 -2.01 12.24 o
2 6 7 35.45 14.06 9.96 o
3 6 7 2.58 -4.18 12.16 o
4 6 7 2.77 6.18 8.82 o
5 6 7 5.78 1.21 11.07 o
0 7 7 14.35 11.12 9.06 o
1 7 7 5.74 9.30 9.38 o
2 7 7 30.25 29.40 10.68 o
3 7 7 0.45 -5.60 11.84 o
4 7 7 1.22 5.06 9.46 o
5 7 7 1.29 -10.37 10.37 o
0 8 7 6.24 -4.58 13.94 o
1 8 7 7.40 -1.03 15.73 o
2 8 7 4.04 0.24 10.32 o
3 8 7 10.83 7.95 11.47 o
0 0 8 704.84 727.76 31.42 o
0 1 8 0.19 0.00 6.30 o
1 1 8 176.03 172.29 17.96 o
0 2 8 91.88 94.34 10.61 o
1 2 8 78.01 82.83 10.17 o
2 2 8 896.97 854.25 36.54 o
0 3 8 52.73 59.64 9.54 o
1 3 8 371.18 349.26 17.48 o
2 3 8 270.99 293.90 16.77 o
3 3 8 144.15 144.66 18.02 o
0 4 8 308.43 316.41 17.28 o
1 4 8 42.12 45.75 9.07 o
2 4 8 239.35 237.43 15.70 o
3 4 8 73.72 81.84 11.66 o
4 4 8 187.14 171.63 22.12 o
0 5 8 0.64 0.59 6.79 o
1 5 8 36.18 43.59 9.43 o
2 5 8 20.36 23.67 8.55 o
3 5 8 191.45 202.64 16.41 o
4 5 8 14.40 10.82 8.51 o
5 5 8 0.12 0.00 13.47 o
0 6 8 94.93 104.54 12.98 o
1 6 8 0.24 2.10 7.41 o
2 6 8 80.30 87.76 12.67 o
3 6 8 21.59 26.77 9.31 o
4 6 8 73.18 79.06 13.51 o
5 6 8 1.72 -0.48 9.47 o
0 7 8 9.16 -6.76 13.25 o
1 7 8 51.10 57.20 11.67 o
2 7 8 14.97 -0.81 9.92 o
3 7 8 14.79 8.51 9.48 o
4 7 8 8.51 5.53 9.93 o
0 8 8 20.57 28.27 11.08 o
1 8 8 13.19 20.15 10.47 o
0 1 9 221.40 233.86 14.78 o
0 2 9 4.84 2.11 6.83 o
1 2 9 2.19 -6.97 6.97 o
0 3 9 118.86 115.12 12.04 o
1 3 9 0.02 -0.88 6.92 o
2 3 9 165.88 174.38 14.09 o
0 4 9 0.53 0.44 7.26 o
1 4 9 7.30 13.61 7.76 o
2 4 9 3.09 -2.67 7.90 o
3 4 9 27.42 27.66 9.29 o
0 5 9 125.72 121.30 13.51 o
1 5 9 1.17 -0.58 7.49 o
2 5 9 20.08 22.36 9.05 o
3 5 9 3.11 -7.22 9.73 o
4 5 9 3.99 4.24 8.35 o
0 6 9 4.89 -2.04 7.61 o
1 6 9 25.22 18.40 11.56 o
2 6 9 3.51 -5.27 12.08 o
3 6 9 44.41 49.83 11.74 o
4 6 9 0.04 0.80 9.63 o
0 7 9 3.62 2.76 7.60 o
1 7 9 4.95 -0.07 9.68 o
2 7 9 14.31 14.41 11.65 o
3 7 9 0.54 -10.32 10.32 o
0 0 10 1.93 -9.36 10.08 o
0 1 10 5.39 -0.94 6.93 o
1 1 10 793.83 798.06 38.83 o
0 2 10 87.28 87.91 11.15 o
1 2 10 87.45 86.91 11.41 o
2 2 10 16.52 1.72 12.08 o
0 3 10 64.76 57.86 11.07 o
1 3 10 322.92 325.20 19.32 o
2 3 10 101.54 110.04 12.74 o
3 3 10 294.71 299.24 27.42 o
0 4 10 5.46 3.55 8.55 o
1 4 10 25.97 26.71 9.27 o
2 4 10 5.97 3.21 8.54 o
3 4 10 84.73 85.56 12.59 o
4 4 10 1.62 2.45 12.16 o
0 5 10 0.72 -9.13 9.13 o
1 5 10 330.33 352.79 21.75 o
2 5 10 20.01 10.88 12.58 o
3 5 10 81.01 88.01 13.75 o
4 5 10 3.11 -0.84 9.27 o
5 5 10 180.26 200.77 28.10 o
0 6 10 15.87 21.77 10.02 o
1 6 10 6.08 -7.47 10.50 o
2 6 10 12.62 12.63 10.16 o
3 6 10 6.57 -10.15 10.15 o
0 7 10 1.00 2.95 9.47 o
1 7 10 80.16 89.70 14.66 o
0 1 11 69.47 73.64 11.55 o
0 2 11 23.93 20.28 9.34 o
1 2 11 56.85 56.15 10.86 o
0 3 11 0.72 2.49 7.47 o
1 3 11 15.37 5.49 10.90 o
2 3 11 66.01 70.30 11.90 o
0 4 11 24.98 24.14 9.73 o
1 4 11 46.16 44.46 11.18 o
2 4 11 2.99 -4.42 8.56 o
3 4 11 7.05 -2.70 9.53 o
0 5 11 58.49 60.06 12.86 o
1 5 11 3.95 6.47 9.74 o
2 5 11 5.77 1.09 8.77 o
3 5 11 11.00 11.99 10.35 o
0 6 11 3.17 0.88 9.43 o
1 6 11 12.37 12.88 10.77 o
2 6 11 1.76 6.32 9.51 o
0 0 12 510.89 531.31 35.35 o
0 1 12 68.07 74.67 12.18 o
1 1 12 90.51 82.08 18.50 o
0 2 12 77.59 78.08 12.45 o
1 2 12 37.47 38.55 10.77 o
2 2 12 82.47 79.22 18.89 o
0 3 12 23.68 26.94 9.79 o
1 3 12 29.33 31.24 10.94 o
2 3 12 33.13 35.23 11.16 o
3 3 12 2.68 5.20 12.11 o
0 4 12 130.71 142.89 15.72 o
1 4 12 34.88 36.81 11.44 o
2 4 12 27.17 23.20 11.70 o
3 4 12 8.60 10.16 10.20 o
0 5 12 19.71 24.41 11.25 o
1 5 12 34.99 31.58 25.62 o
2 5 12 11.10 8.63 10.50 o
0 1 13 0.35 -4.74 9.04 o
0 2 13 11.38 5.06 9.18 o
1 2 13 1.13 -8.30 13.47 o
0 3 13 18.00 22.53 11.48 o
1 3 13 4.16 7.72 9.59 o
2 3 13 3.16 -0.72 9.82 o
0 4 13 0.17 -5.17 10.56 o
1 4 13 1.77 0.34 11.24 o
0 0 14 8.59 -12.52 17.54 o
0 1 14 59.07 72.36 13.65 o
1 1 14 77.90 72.80 21.01 o
0 2 14 29.42 31.63 11.51 o