#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2012503.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_2012503
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2002
_journal_volume  58
_journal_page_first  i25
_journal_page_last  i26
_publ_section_title
;
 Bismuth Octaborate, Bi~2~B~8~O~15~
;
loop_
_publ_author_name
  'Teng, Bing'
  'Yu, Wen Tao'
  'Wang, Ji Yang'
  'Cheng, Xiu Feng'
  'Dong, Sheng Ming'
  'Liu, Yao Gang'
_chemical_formula_sum  'B8 Bi2 O15'
_chemical_formula_weight  744.44
_symmetry_cell_setting  Monoclinic
_symmetry_space_group_name_H-M  'P 21'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y+1/2, -z'
_cell_length_a  4.3142(7)
_cell_length_b  22.141(4)
_cell_length_c  6.4675(10)
_cell_angle_alpha  90.00
_cell_angle_beta  105.441(11)
_cell_angle_gamma  90.00
_cell_volume  595.49(16)
_cell_formula_units_Z  2
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  4.152
_diffrn_ambient_temperature  293(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_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Bi2  .82447(12)  .64754(3)  .66890(8)  .01683(14) Uani d U 1 . . Bi
  Bi1  .61092(13)  .78383(3)  .89404(8)  .01693(14) Uani d U 1 . . Bi
  B1  .442(7)  .9889(12)  .571(3)  .031(3) Uani d U 1 . . B
  B2  .462(8)  .9644(13)  .208(4)  .036(3) Uani d U 1 . . B
  B3  .693(6)  .8982(11)  .511(3)  .027(2) Uani d U 1 . . B
  B4  .867(4)  .7863(10)  .480(2)  .0159(18) Uani d U 1 . . B
  B5 1.280(4)  .7847(12)  .265(3)  .019(2) Uani d U 1 . . B
  B6  .573(4)  .6447(12) 1.086(3)  .0182(19) Uani d U 1 . . B
  B7  .147(3)  .6475(13) 1.304(3)  .018(2) Uani d U 1 . . B
  B8  .609(7)  .5321(12) 1.089(3)  .030(3) Uani d U 1 . . B
  O1  .357(6) 1.0016(9)  .349(2)  .038(3) Uani d U 1 . . O
  O2  .602(5)  .9387(9)  .650(2)  .033(3) Uani d U 1 . . O
  O3  .632(5)  .9103(9)  .299(2)  .035(3) Uani d U 1 . . O
  O4  .821(4)  .8454(7)  .5930(19)  .0205(17) Uani d U 1 . . O
  O5 1.180(3)  .7842(7)  .4473(18)  .0177(16) Uani d U 1 . . O
  O6  .836(3)  .7429(7)  .649(2)  .0175(16) Uani d U 1 . . O
  O7 1.098(3)  .7911(9) 1.057(2)  .025(2) Uani d U 1 . . O
  O8  .610(3)  .7813(9) 1.284(2)  .0204(19) Uani d U 1 . . O
  O9  .829(3)  .6540(7)  .2850(19)  .019(2) Uani d U 1 . . O
  O10  .339(3)  .6410(10)  .506(2)  .024(2) Uani d U 1 . . O
  O11  .595(3)  .6872(8)  .9208(19)  .0202(17) Uani d U 1 . . O
  O12  .251(3)  .6488(9) 1.1206(19)  .0195(18) Uani d U 1 . . O
  O13  .597(4)  .5844(7)  .987(2)  .0233(19) Uani d U 1 . . O
  O14  .647(5)  .5302(9) 1.307(2)  .033(3) Uani d U 1 . . O
  O15  .580(6)  .4758(8)  .986(2)  .036(3) Uani d U 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
  Bi2  .0128(2)  .0220(2)  .0158(2)  .00064(19)  .00411(15)  .00035(17)
  Bi1  .0127(2)  .0226(2)  .0155(2)  .00083(17)  .00382(14)  .00052(16)
  B1  .051(7)  .028(6)  .016(4)  .012(6)  .013(5)  -.001(5)
  B2  .056(8)  .036(6)  .019(5)  .012(6)  .017(5)  .000(5)
  B3  .038(6)  .026(4)  .018(4)  .009(5)  .011(4)  .001(4)
  B4  .016(4)  .016(4)  .016(4)  -.003(4)  .003(3)  .000(4)
  B5  .016(5)  .025(6)  .016(5)  -.003(6)  .003(4)  -.004(6)
  B6  .020(4)  .022(4)  .014(4)  .000(5)  .006(3)  .002(4)
  B7  .005(4)  .029(6)  .018(5)  -.001(5)  .001(3)  -.007(6)
  B8  .049(7)  .026(4)  .015(4)  -.008(5)  .008(5)  .001(4)
  O1  .062(7)  .034(6)  .018(4)  .013(5)  .010(5)  -.001(4)
  O2  .047(6)  .031(5)  .019(4)  .011(5)  .007(4)  -.002(4)
  O3  .058(7)  .035(5)  .017(4)  .011(5)  .017(4)  .004(4)
  O4  .026(4)  .021(3)  .015(3)  .000(4)  .007(3)  -.002(3)
  O5  .013(3)  .022(4)  .019(4)  .003(4)  .006(3)  .000(4)
  O6  .016(4)  .020(3)  .019(4)  .003(3)  .007(3)  .001(3)
  O7  .013(4)  .045(8)  .017(4)  -.002(5)  .005(3)  -.001(4)
  O8  .015(4)  .028(6)  .018(4)  .004(5)  .004(3)  .001(4)
  O9  .014(4)  .029(6)  .012(4)  .005(4)  .001(3)  -.002(4)
  O10  .011(4)  .043(8)  .015(4)  -.004(5)  -.001(3)  -.002(5)
  O11  .023(4)  .025(4)  .014(3)  -.001(4)  .009(3)  .001(3)
  O12  .009(3)  .030(5)  .020(4)  -.002(4)  .004(3)  -.001(4)
  O13  .028(5)  .026(4)  .018(4)  -.001(4)  .010(4)  .000(3)
  O14  .054(8)  .034(6)  .012(4)  -.012(6)  .011(5)  -.003(4)
  O15  .066(9)  .028(5)  .014(4)  -.009(6)  .012(5)  -.004(4)
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
  Bi2 O10 . 2.084(12) ?
  Bi2 O6 . 2.117(15) ?
  Bi2 O11 . 2.294(13) ?
  Bi2 O9 . 2.493(12) ?
  Bi2 O10 1_655 2.700(13) ?
  Bi2 Bi1 . 3.5763(9) ?
  Bi1 O7 . 2.090(13) ?
  Bi1 O11 . 2.149(17) ?
  Bi1 O6 . 2.259(13) ?
  Bi1 O8 . 2.522(13) ?
  Bi1 O7 1_455 2.697(13) ?
  Bi1 O4 . 2.722(13) ?
  B1 O14 2_657 1.33(3) ?
  B1 O2 . 1.34(3) ?
  B1 O1 . 1.41(3) ?
  B2 O15 2_656 1.24(3) ?
  B2 O1 . 1.39(3) ?
  B2 O3 . 1.44(3) ?
  B3 O4 . 1.34(3) ?
  B3 O3 . 1.36(3) ?
  B3 O2 . 1.40(3) ?
  B4 O5 . 1.42(2) ?
  B4 O8 1_554 1.45(2) ?
  B4 O6 . 1.49(2) ?
  B4 O4 . 1.54(2) ?
  B5 O5 . 1.36(2) ?
  B5 O7 1_554 1.37(2) ?
  B5 O8 1_654 1.40(2) ?
  B6 O11 . 1.45(2) ?
  B6 O12 . 1.47(2) ?
  B6 O9 1_556 1.47(2) ?
  B6 O13 . 1.50(3) ?
  B7 O9 1_456 1.350(19) ?
  B7 O10 1_556 1.36(2) ?
  B7 O12 . 1.37(2) ?
  B8 O13 . 1.32(3) ?
  B8 O14 . 1.38(2) ?
  B8 O15 . 1.40(3) ?
  O7 B5 1_556 1.37(2) ?
  O7 Bi1 1_655 2.697(13) ?
  O8 B5 1_456 1.40(2) ?
  O8 B4 1_556 1.45(2) ?
  O9 B7 1_654 1.350(19) ?
  O9 B6 1_554 1.47(2) ?
  O10 B7 1_554 1.36(2) ?
  O10 Bi2 1_455 2.700(13) ?
  O14 B1 2_647 1.33(3) ?
  O15 B2 2_646 1.24(3) ?