data_global
_amcsd_formula_title 'SrMgP2O7'
loop_
_publ_author_name
'Tahiri A A'
'Bali B E'
'Lachkar M'
'Ouarsal R'
'Zavalij P Y'
_journal_name_full 'Acta Crystallographica, Section E'
_journal_volume 58 
_journal_year 2002
_journal_page_first i9
_journal_page_last i11
_publ_section_title
;
 SrMgP2O7
;
_database_code_amcsd 0010374
_chemical_formula_sum 'Sr Mg P2 O7'
_cell_length_a 5.3046
_cell_length_b 8.3053
_cell_length_c 12.700
_cell_angle_alpha 90
_cell_angle_beta 90.502
_cell_angle_gamma 90
_cell_volume 559.493
_exptl_crystal_density_diffrn      3.394
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Sr1   0.21537   0.33976   0.72107   0.01000
Mg1   0.67840   0.14930   0.89100   0.00960
P1   0.74590   0.03570   0.66719   0.00760
P2   0.68680   0.29990   0.51986   0.00760
O1   0.73310   0.11570   0.55300   0.01070
O2   0.68310  -0.13930   0.65330   0.01050
O3   0.00630   0.06520   0.71260   0.01520
O4   0.54710   0.11580   0.73480   0.01030
O5   0.80490   0.31150   0.41180   0.01110
O7   0.40460   0.33090   0.52330   0.01110
O6   0.82750   0.40430   0.60000   0.01050
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Sr1 0.00810 0.01040 0.01160 0.00044 -0.00060 -0.00110
Mg1 0.00970 0.00930 0.00980 -0.00030 -0.00190 0.00020
P1 0.00810 0.00760 0.00710 0.00040 0.00000 -0.00020
P2 0.00720 0.00860 0.00700 -0.00010 0.00080 0.00030
O1 0.01510 0.00860 0.00850 0.00240 0.00210 -0.00060
O2 0.01280 0.00720 0.01150 0.00120 0.00030 0.00000
O3 0.00990 0.01600 0.01960 -0.00120 -0.00590 0.00070
O4 0.01110 0.01160 0.00810 0.00030 0.00160 -0.00220
O5 0.00910 0.01720 0.00700 -0.00050 0.00360 0.00020
O7 0.00820 0.01270 0.01230 0.00160 -0.00060 0.00130
O6 0.01250 0.00930 0.00960 -0.00100 -0.00240 -0.00060