#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008031.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1008031
_chemical_name_systematic          'Strontium hydrogenphosphate - $-alpha'
_chemical_formula_structural       'Sr H P O4'
_chemical_formula_sum              'H O4 P Sr'
_publ_section_title
;
Structure cristalline de l'orthophosphate monoacide de strontium: Sr H
P O~4~ $-alpha: forme triclinique
;
loop_
_publ_author_name
  'Boudjada, A'
  'Masse, R'
  'Guitel, J C'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    34
_journal_year                      1978
_journal_page_first                2692
_journal_page_last                 2695
_cell_length_a                     7.184(1)
_cell_length_b                     6.790(1)
_cell_length_c                     7.256(1)
_cell_angle_alpha                  94.68(1)
_cell_angle_beta                   104.97(1)
_cell_angle_gamma                  88.77(1)
_cell_volume                       340.8
_cell_formula_units_Z              4
_exptl_crystal_density_meas        3.58
_symmetry_space_group_name_H-M     'P -1'
_symmetry_Int_Tables_number        2
_symmetry_cell_setting             triclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Sr2+   2.000
  P5+    5.000
  O2-   -2.000
  H1+    1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Sr1   Sr2+   2 i 0.2889(1) 0.4476(1) 0.2519(1) 1.  0 d
  Sr2   Sr2+   2 i 0.1803(1) 0.8432(1) 0.6836(1) 1.  0 d
  P1    P5+    2 i 0.7915(2) 0.6266(2) 0.2890(2) 1.  0 d
  P2    P5+    2 i 0.2987(2) 0.9498(2) 0.2129(2) 1.  0 d
  O1    O2-    2 i 0.8647(6) 0.8093(6) 0.4170(6) 1.  0 d
  O2    O2-    2 i 0.6532(6) 0.5086(6) 0.3675(6) 1.  0 d
  O3    O2-    2 i 0.6747(7) 0.6928(7) 0.0842(6) 1.  0 d
  O4    O2-    2 i 0.9487(6) 0.4913(6) 0.2461(6) 1.  0 d
  O5    O2-    2 i 0.1037 0.0646(6) 0.1570(6) 1.  0 d
  O6    O2-    2 i 0.3252(7) 0.8164(7) 0.0444(6) 1.  0 d
  O7    O2-    2 i 0.4554(7) 0.1058(7) 0.2812(8) 1.  0 d
  O8    O2-    2 i 0.2967(7) 0.8170(7) 0.3744(7) 1.  0 d
  H1    H1+    2 i -1. -1. -1. 2.  0 dum
_refine_ls_R_factor_all            0.036