#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/1/1101150.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_1101150
_journal_name_full   'unknown'
_chemical_formula_moiety  'B3 Sr4 K O9'
_chemical_formula_structural  'Sr4 K (B O3)3'
_chemical_formula_iupac  'K Sr4 (B O3)3'
_chemical_formula_sum  'B3 Sr4 K O9'
_chemical_formula_weight  566.01
_symmetry_cell_setting  Orthorhombic
_symmetry_space_group_name_H-M  'A m a 2'
_symmetry_space_group_name_Hall  'A a -2a'
loop_
_symmetry_equiv_pos_as_xyz#<--must include 'x,y,z'
 'x,y,z'
 '-x+1/2,y,z'
 'x+1/2,-y,z'
 '-x,-y,z'
 'x,y+1/2,z+1/2'
 '-x+1/2,y+1/2,z+1/2'
 'x+1/2,-y+1/2,z+1/2'
 '-x,-y+1/2,z+1/2'
_cell_length_a  11.03843(8)
_cell_length_b  11.98974(9)
_cell_length_c  6.88446(5)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  911.14(2)
_cell_formula_units_Z  4
_cell_measurement_temperature  295
_diffrn_ambient_temperature  295
_pd_proc_ls_prof_R_factor  0.0712
_pd_proc_ls_prof_wR_factor  0.0959
_refine_ls_R_I_factor  0.0570
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_type_symbol
  Sr1  .2500  .3551(2)  .0623(5)  .0080(5)  Uiso 1  Sr
  Sr2  -.0293(1)  .2148(1)  .9297(4)  .0082(3)  Uiso 1  Sr
  Sr3  .0000  .0000  .2829  .0107(5)  Uiso 1  Sr
  K  .2500  .5844(5)  .3305(9)  .016(1)  Uiso 1  K
  O1  .2500  .3475(11) .4541(25)  .004(4)  Uiso 1  O
  O2  .2500  .5713(16) .912(3)  .041(3)  Uiso 1  O
  O3  .1360(10) .6727(9)  .6668(14)  .005(3)  Uiso 1  O
  O4  .0302(7)  .4017(9)  .1092(16)  .003(2)  Uiso 1  O
  O5  .8584(11) .1982(8)  .2406(17)  .005(3)  Uiso 1  O
  O6  .0000  .5000  .410(3)  .010(4)  Uiso 1  O
  B1  .2500  .643(2)  .751(4)  .001(6)  Uiso 1  B
  B2  .2500  .328(2)  .650(4)  .004(6)  Uiso 1  B
  B3  .0000  .5000  .210(5)  .015(7)  Uiso 1  B
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Sr1 O1  .  2.699(18)  yes
  Sr1 O2  1_554  2.789(19)  yes
  Sr1 O3  5_544  2.624(11)  yes
  Sr1 O3  6_544  2.624(11)  yes
  Sr1 O4  .  2.511(8)  yes
  Sr1 O4  2_555  2.511(8)  yes
  Sr1 O5  7_454  2.597(12)  yes
  Sr1 O5  8_654  2.597(12)  yes
  Sr2 O1  7_455  2.553(4)  yes
  Sr2 O3  4_565  2.546(10)  yes
  Sr2 O3  5_545  2.500(11)  yes
  Sr2 O4  1_556  2.643(11)  yes
  Sr2 O4  8_555  2.612(11)  yes
  Sr2 O5  1_456  2.481(12)  yes
  Sr2 O5  8_655  2.518(11)  yes
  Sr2 O6  5_545  2.599(2)  yes
  Sr3 O2  5_544  3.023(8)  yes
  Sr3 O2  7_454  3.023(8)  yes
  Sr3 O3  5_544  2.679(11)  yes
  Sr3 O3  8_554  2.679(11)  yes
  Sr3 O4  5_545  2.558(11)  yes
  Sr3 O4  8_555  2.558(11)  yes
  Sr3 O5  1_455  2.859(11)  yes
  Sr3 O5  4_655  2.859(11)  yes
  Sr3 O6  5_544  2.564(20)  yes
  K  O1  .  2.966(15)  yes
  K  O2  1_554  2.883(23)  yes
  K  O3  .  2.839(11)  yes
  K  O3  2_555  2.839(11)  yes
  K  O5  3_465  2.933(12)  yes
  K  O5  4_665  2.933(12)  yes
  K  O6  .  2.990(4)  yes
  K  O6  2_555  2.990(4)  yes
  B1  O2  .  1.40(3)  yes
  B1  O3  .  1.432(17)  yes
  B1  O3  2_555  1.432(17)  yes
  B2  O1  .  1.37(3)  yes
  B2  O5  7_455  1.385(19)  yes
  B2  O5  8_655  1.385(19)  yes
  B3  O4  .  1.406(20)  yes
  B3  O4  4_565  1.406(20)  yes
  B3  O6  .  1.38(4)  yes