#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/02/2010261.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_2010261
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1994
_journal_volume 50
_journal_page_first  1847
_journal_page_last  1849
_publ_section_title
;
Sr~0.735~Ba~0.265~Cu~2~(BO~3~)~2~ and
Sr~0.661~Ca~0.339~Cu~2~(BO~3~)~2~
;
loop_
_publ_author_name
  'Norrestam, R.'
  'Carlson, S.'
  'Sj\"odin, A.'
_chemical_formula_moiety  'B2 Ca0.339 Cu2 O6 Sr0.661'
_chemical_formula_sum  'B2 Ca0.339 Cu2 O6 Sr0.661'
_chemical_formula_weight  316.2(6)
_symmetry_cell_setting  tetragonal
_symmetry_space_group_name_H-M  'I -4 2 m'
_symmetry_space_group_name_Hall  'I -4 2'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  'y,-x,-z'
  '-y,x,-z'
  '-x,y,-z'
  'x,-y,-z'
  '-y,-x,z'
  'y,x,z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,1/2+x,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,1/2-z'
  '1/2-y,1/2-x,1/2+z'
  '1/2+y,1/2+x,1/2+z'
_cell_length_a  8.9692(9)
_cell_length_b  8.9692(9)
_cell_length_c  6.5400(10)
_cell_angle_alpha  90.
_cell_angle_beta  90.
_cell_angle_gamma  90.
_cell_volume  526.1(2)
_cell_formula_units_Z  4
_cell_measurement_temperature  293.0(10)
_exptl_crystal_density_diffrn  3.992(8)
_refine_ls_R_factor_obs  0.024
_refine_ls_wR_factor_obs  0.030
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
  Sr .0 .5 .0 .0103(4)
  Ca .0 .5 .0 .0103(4)
  Cu .38590(10)
  .38590(10)
  .2267(2) .0134(3)
  O(1) .1720(4) .3549(4) .2419(12) .0138(10)
  O(2) .0986(5) .0986(5) .2785(19) .031(3)
  B .2053(6) .2053(6) .256(2) .0127(19)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Sr O(1) . . 2.565(6) yes
  Sr O(1) . . 2.631(6) yes
  Cu O(1) . . 1.940(4) yes
  Cu O(2) . . 1.913(5) yes
  Cu O(2) . . 2.938(12) yes
  B O(1) . . 1.378(7) yes
  B O(2) . . 1.361(7) yes
_cod_database_code 2010261