#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2011298.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_2011298
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2000
_journal_volume  56
_journal_page_first  1057
_journal_page_last  1058
_publ_section_title
;
A new orthoborate, Sr~3~Ga~3~B~4~O~13~OH
;
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/m'
loop_
_publ_author_name
  'Barbier, Jacques'
  'Park, Hyunsoo'
_chemical_name_common  'strontium gallium borate hydroxide'
_chemical_formula_moiety  'Sr3 Ga3 (BO3 )4 O(OH)'
_chemical_formula_sum  'B4 Ga3 H O14 Sr3'
_chemical_formula_structural  'B4 Ga3 H O14 Sr3'
_chemical_formula_analytical  'B4 Ga3 H O14 Sr3'
_chemical_formula_weight  740.27
_symmetry_cell_setting  monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y+1/2, -z'
  '-x, -y, -z'
  'x, -y-1/2, z'
_cell_length_a  4.9084(2)
_cell_length_b  13.6795(7)
_cell_length_c  9.0482(4)
_cell_angle_alpha  90.00
_cell_angle_beta  105.4140(10)
_cell_angle_gamma  90.00
_cell_volume  585.68(5)
_cell_formula_units_Z  2
_cell_measurement_temperature  299(2)
_exptl_crystal_density_diffrn  4.198
_diffrn_ambient_temperature  299(2)
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_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
  Sr1  .38534(6)  .44853(2)  .29571(3)  .01081(7) Uani d . 1 . Sr
  Sr2  .52609(10)  .2500  .62463(5)  .01287(9) Uani d S 1 . Sr
  Ga1  -.07776(11)  .2500  .30908(5)  .00971(10) Uani d S 1 . Ga
  Ga2  .16202(8)  .37189(2)  -.13029(4)  .01025(8) Uani d . 1 . Ga
  B1  .0043(8)  .3974(2)  .5646(4)  .0096(6) Uani d . 1 . B
  B2  -.2546(8)  .3787(3)  .0336(4)  .0119(6) Uani d . 1 . B
  H  -.515(16)  .235(7)  .225(9)  .020 Uiso d P  .50 . H
  O1  .1115(5)  .3469(2)  .4602(3)  .0119(4) Uani d . 1 . O
  O2  .2001(5)  .4363(2)  .6957(3)  .0142(4) Uani d . 1 . O
  O3  .4647(5)  .3850(2)  .0366(3)  .0152(4) Uani d . 1 . O
  O4  -.4615(7)  .2500  .3096(4)  .0130(6) Uani d S 1 . O
  O5  -.1825(6)  .4056(2)  -.0994(3)  .0195(5) Uani d . 1 . O
  O6  -.0533(5)  .3488(2)  .1587(3)  .0153(4) Uani d . 1 . O
  O7  .1280(10)  .2500  -.2127(4)  .0219(8) Uani d S 1 . O
  O8  -.2757(5)  .4077(2)  .5506(3)  .0128(4) Uani d . 1 . O
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Sr1  .01031(13)  .01163(12)  .01008(12)  -.00155(10)  .00199(10)  -.00006(9)
  Sr2  .0099(2)  .0127(2)  .0154(2)  .000  .00224(15)  .000
  Ga1  .0080(2)  .0110(2)  .0098(2)  .000  .0019(2)  .000
  Ga2  .0089(2)  .01202(14)  .00963(15)  -.00001(12)  .00206(12)  .00019(11)
  B1  .0093(14)  .0108(12)  .0080(13)  .0006(11)  .0013(11)  .0013(11)
  B2  .013(2)  .0118(13)  .0108(14)  .0009(12)  .0036(12)  .0000(11)
  O1  .0107(11)  .0127(9)  .0131(10)  .0011(8)  .0048(8)  -.0015(8)
  O2  .0140(11)  .0182(10)  .0102(10)  -.0062(9)  .0032(8)  -.0006(8)
  O3  .0092(11)  .0255(11)  .0105(10)  .0013(9)  .0019(8)  .0002(9)
  O4  .0074(15)  .0177(14)  .0131(15)  .000  .0015(12)  .000
  O5  .0138(12)  .0332(14)  .0136(11)  .0078(11)  .0071(9)  .0113(10)
  O6  .0110(11)  .0202(10)  .0132(10)  -.0029(9)  .0003(9)  .0059(9)
  O7  .035(2)  .0132(14)  .017(2)  .000  .007(2)  .000
  O8  .0082(10)  .0174(10)  .0125(10)  .0024(8)  .0020(8)  .0010(8)
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 O8 1_655 2.522(2) yes
  Sr1 O8 3_566 2.547(2) ?
  Sr1 O2 3_666 2.559(2) yes
  Sr1 O6 . 2.572(3) yes
  Sr1 O3 . 2.625(2) yes
  Sr1 O1 . 2.649(2) yes
  Sr1 O5 3_565 2.681(2) yes
  Sr1 O4 1_655 2.8118(10) yes
  Sr1 O2 3_566 3.296(3) ?
  Sr1 B1 3_566 3.314(3) ?
  Sr1 B1 1_655 3.422(3) ?
  Sr1 B2 1_655 3.448(4) ?
  Sr2 O8 1_655 2.529(2) yes
  Sr2 O8 4_665 2.529(2) ?
  Sr2 O1 4_565 2.550(2) ?
  Sr2 O1 . 2.550(2) yes
  Sr2 O7 1_556 2.741(4) yes
  Sr2 O4 1_655 2.868(4) yes
  Sr2 O7 1_656 2.930(5) yes
  Sr2 O2 4_565 3.165(3) ?
  Sr2 O2 . 3.165(3) ?
  Sr2 B1 4_565 3.191(3) ?
  Sr2 B1 . 3.191(3) ?
  Sr2 B1 1_655 3.248(3) ?
  Ga1 O4 . 1.885(4) yes
  Ga1 O6 4_565 1.944(2) ?
  Ga1 O6 . 1.944(2) yes
  Ga1 O1 . 1.953(2) yes
  Ga1 O1 4_565 1.953(2) ?
  Ga1 Sr1 4_565 3.5642(4) ?
  Ga1 Sr1 4_465 3.7637(5) ?
  Ga1 Sr1 1_455 3.7637(5) ?
  Ga1 Sr2 1_455 3.8580(7) ?
  Ga2 O7 . 1.816(2) yes
  Ga2 O3 . 1.824(2) yes
  Ga2 O5 . 1.844(3) yes
  Ga2 O2 1_554 1.856(2) yes
  Ga2 Sr2 1_554 3.6052(5) ?
  Ga2 Sr1 3_565 3.6546(5) ?
  Ga2 Sr2 1_454 3.7096(6) ?
  Ga2 Sr1 3_665 3.8703(5) ?
  B1 O8 . 1.354(4) yes
  B1 O1 . 1.383(4) yes
  B1 O2 . 1.417(4) yes
  B1 Sr2 1_455 3.248(3) ?
  B1 Sr1 3_566 3.314(3) ?
  B1 Sr1 1_455 3.422(3) ?
  B2 O6 . 1.353(4) yes
  B2 O3 1_455 1.388(4) yes
  B2 O5 . 1.391(4) yes
  B2 Sr1 1_455 3.448(4) ?
  O2 Ga2 1_556 1.856(2) ?
  O2 Sr1 3_666 2.559(2) ?
  O2 Sr1 3_566 3.296(3) ?
  O3 B2 1_655 1.388(4) ?
  O4 Sr1 4_465 2.8118(10) ?
  O4 Sr1 1_455 2.8118(10) ?
  O4 Sr2 1_455 2.868(4) ?
  O5 Sr1 3_565 2.681(2) ?
  O5 Sr2 1_454 3.303(3) ?
  O7 Ga2 4_565 1.816(2) ?
  O7 Sr2 1_554 2.741(4) ?
  O7 Sr2 1_454 2.930(5) ?
  O8 Sr1 1_455 2.522(2) ?
  O8 Sr2 1_455 2.529(2) ?
  O8 Sr1 3_566 2.547(2) ?
_cod_database_code 2011298