data_global
_amcsd_formula_title 'H O4 P Sr'
loop_
_publ_author_name
'Ben Taher L'
'Smiri L'
'Laligant Y'
'Maisonneuve V'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 152 
_journal_year 2000
_journal_page_first 428
_journal_page_last 434
_publ_section_title
;
 Investigation of th alkaline earth phosphates: synthesis and crystal
 structure of a new strontium hydrogen phosphate form
 _cod_database_code 1004016
;
_database_code_amcsd 0013992
_chemical_formula_sum 'Sr P O4 H'
_cell_length_a 8.131
_cell_length_b 9.258
_cell_length_c 18.084
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1361.306
_exptl_crystal_density_diffrn      3.583
_symmetry_space_group_name_H-M 'P b c a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-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   0.12440   0.32130   0.12536 ?
Sr2   0.86913   0.68210   0.11737 ?
P1   0.25100   0.07700   0.00370 ?
P2   0.52270   0.47900   0.20570 ?
O1   0.09030   0.16320   0.00420 ?
O2   0.34500   0.10130   0.07540 ?
O3   0.34720   0.10740  -0.06630 ?
O4   0.20640  -0.09040   0.00100 ?
O5   0.57930   0.62030   0.17180 ?
O6   0.67540   0.37420   0.22130 ?
O7   0.44840   0.50190   0.28280 ?
O8   0.41400   0.38770   0.15710 ?
H1   0.09700   0.90000   0.00900   0.04000
H2   0.76000   0.42000   0.21500   0.08000
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 0.00480 0.01080 0.01560 -0.00050 -0.00070 -0.00050
Sr2 0.00570 0.00920 0.01530 0.00040 0.00000 0.00030
P1 0.00420 0.00780 0.01470 -0.00010 0.00160 0.00130
P2 0.00330 0.00770 0.01470 0.00020 0.00020 -0.00030
O1 0.00490 0.00520 0.02210 0.00110 0.00310 -0.00290
O2 0.00990 0.01540 0.01790 -0.00370 -0.00840 0.00410
O3 0.00850 0.01620 0.01830 -0.00130 0.00390 0.00190
O4 0.00520 0.01140 0.01800 -0.00040 -0.00180 -0.00490
O5 0.01070 0.01230 0.02460 -0.00050 -0.00240 0.01020
O6 0.00700 0.01090 0.02470 0.00400 -0.00470 0.00020
O7 0.01000 0.01440 0.01780 -0.00070 0.01010 -0.00430
O8 0.01860 0.01670 -0.00260 0.01500 -0.00220 -0.00390