#------------------------------------------------------------------------------
#$Date: 2010-03-31 16:32:11 +0300 (Wed, 31 Mar 2010) $
#$Revision: 1063 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1000486.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_1000486
_chemical_name_systematic
;
Distrontium gallium hydrogenphosphate(V) phosphate(V) difluoride
;
_chemical_formula_structural       'Sr2 Ga (H P O4) (P O4) F2'
_chemical_formula_sum            'F2 Ga H O8 P2 Sr2'
_[local]_cod_chemical_formula_sum_orig 'H F2 Ga O8 P2 Sr2'
_publ_section_title
;
Synthesis and crystal structure of two fluorophosphated compounds with
different infinite sheets: Sr2 Ga (H P O4) (P O4) F2 and Sr2 Fe2 (H P
O4) (P O4)2 F2
;
loop_
_publ_author_name
  'Le Meins, J-M'
  'Hemon-Ribaud, A'
  'Courbion, G'
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_coden_ASTM                EJSCE5
_journal_volume                    35
_journal_year                      1998
_journal_page_first                117
_journal_page_last                 132
_cell_length_a                     8.257(1)
_cell_length_b                     7.205(1)
_cell_length_c                     13.596(2)
_cell_angle_alpha                  90
_cell_angle_beta                   108.02(1)
_cell_angle_gamma                  90
_cell_volume                       769.2
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 1 21/n 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Sr2+   2.000
  Ga3+   3.000
  P5+    5.000
  O2-   -2.000
  F1-   -1.000
  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+   4 e 0.2025(1) 0.1710(1) 0.0773(1) 1.  0 d
  Sr2   Sr2+   4 e 0.2197(1) 0.1687(1) 0.5514(1) 1.  0 d
  Ga1   Ga3+   4 e 0.0205(1) 0.0054(1) 0.2908(1) 1.  0 d
  P1    P5+    4 e 0.4071(1) 0.1988(1) 0.3695(1) 1.  0 d
  P2    P5+    4 e 0.3557(1) 0.1150(1) 0.8463(1) 1.  0 d
  O1    O2-    4 e 0.2595(4) 0.0605(4) 0.3591(2) 1.  0 d
  O2    O2-    4 e 0.3993(4) 0.3399(4) 0.4526(2) 1.  0 d
  O3    O2-    4 e -0.0031(4) 0.5102(5) 0.3208(2) 1.  0 d
  O4    O2-    4 e 0.3128(4) 0.0306(4) -0.0638(2) 1.  0 d
  O5    O2-    4 e 0.3826(4) 0.2973(4) 0.2650(2) 1.  0 d
  O6    O2-    4 e 0.2045(4) 0.1160(4) 0.7460(2) 1.  0 d
  O7    O2-    4 e -0.0773(4) 0.5970(5) 0.0950(3) 1.  0 d
  O8    O2-    4 e -0.0580(4) 0.1950(4) 0.3715(2) 1.  0 d
  F1    F1-    4 e 0.4426(3) 0.3714(3) 0.0787(2) 1.  0 d
  F2    F1-    4 e -0.0099(3) 0.1653(4) 0.1785(2) 1.  0 d
  H1    H1+    4 e -1. -1. -1. 1.  0 dum
_refine_ls_R_factor_all            0.038
_cod_database_code 1000486