#------------------------------------------------------------------------------
#$Date: 2008-02-24 20:27:26 +0000 (Sun, 24 Feb 2008) $
#$Revision: 175 $
#$URL: svn://www.crystallography.net/cod/cif/1/1100052.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_global
_chemical_name_systematic
;
Strontium Gallium Boron Oxide (1/1/1/4)
;
_chemical_formula_structural       'Sr Ga B O4'
_chemical_formula_sum              'B Ga O4 Sr'
_publ_section_title
;
Ab intio structure determination of a new compound,
beta-SrGaBO~4~,from powder diffraction data
;
loop_
_publ_author_name
  'Yang, Z'
  'Liang, J'
  'Chen, X'
  'Chen, J'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_volume                    165
_journal_year                      2002
_journal_page_first                119
_journal_page_last                 124
_cell_length_a                      15.3706(2)
_cell_length_b                      8.9921(1)
_cell_length_c                      5.9191(1)
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        818.11(2)
_cell_formula_units_Z              8
_symmetry_space_group_name_H-M     'P 21 21 2'
_symmetry_Int_Tables_number        18
_symmetry_cell_setting             Cubic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '1/2-x,1/2+y,-z'
  '1/2+x,1/2-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Sr2+   2.000
  Ga3+   3.000
  B3+    3.000
  O2-   -2.000
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 c   0.1218(1)    -0.0716(2)      0.5001(21)       1.      0 d
  Sr2    Sr2+   4 c   0.5220(1)     0.2863(2)      0.0076(17)       1.      0 d
  Ga1    Ga3+   4 c   0.3498(3)     0.0341(6)      0.7571(18)       1.      0 d
  Ga2    Ga3+   4 c   0.3412(3)     0.0428(6)      0.2499(19)       1.      0 d
  O1     O2-    4 c   0.0981(6)    -0.0364(11)    -0.003(11)        1.      0 d
  O2     O2-    4 c   0.4015(14)   -0.1264(22)     0.272(6)         1.      0 d
  O3     O2-    4 c   0.3671        0.1505         0.5041           1.      0 c
  O4     O2-    4 c   0.5941(14)    0.1461(22)     0.683(6)         1.      0 d
  O5     O2-    4 c   0.2323(12)   -0.0386(19)     0.198(5)         1.      0 d
  O6     O2-    4 c   0.2278(13)   -0.0007(20)     0.795(5)         1.      0 d
  O7     O2-    4 c   0.3950        0.1300         0.0080           1.      0 d
  O8     O2-    4 c   0.0306(6)     0.1794(12)     0.478(7)         1.      0 d
  B1     B3+    4 c   0.1850       -0.0317         0.0050           1.      0 c
  B2     B3+    4 c   0.0850        0.2950         0.5300           1.      0 c
_refine_ls_R_factor_all            0.11