#------------------------------------------------------------------------------
#$Date: 2009-11-18 14:56:34 +0000 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: svn://www.crystallography.net/cod/cif/2/2008986.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_2008986
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1999
_journal_volume 55
_journal_page_first  1400
_journal_page_last  1401
_publ_section_title
;
Ba~2~GaH(P~2~O~7~)~2~
;
loop_
_publ_author_name
  'Kuei-Fang Hsu'
  'Sue-Lein Wang'
_chemical_formula_moiety  'Ba2 Ga H (P2 O7)2'
_chemical_formula_sum            'Ba2 Ga H O14 P4'
_[local]_cod_chemical_formula_sum_orig 'H1 Ba2 Ga1 O14 P4'
_chemical_formula_weight  693.29
_symmetry_cell_setting  Triclinic
_symmetry_space_group_name_H-M  'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, -z'
_cell_length_a  4.78300(10)
_cell_length_b  7.5624(2)
_cell_length_c  8.5690(2)
_cell_angle_alpha  108.2310(10)
_cell_angle_beta  97.3840(10)
_cell_angle_gamma  105.2360(10)
_cell_volume  276.43(2)
_cell_formula_units_Z  1
_cell_measurement_temperature  295
_exptl_crystal_density_diffrn  4.165
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
  Ba1 0.14471(4) 0.47386(2) 0.74143(2) 0.01141(11) Uani d . 1 . Ba
  Ga1 0 0 0 0.00717(12) Uani d S 1 . Ga
  P1 0.37741(17) 0.17382(11) 0.37407(9) 0.0084(2) Uani d . 1 . P
  P2 0.45503(17) -0.18274(12) 0.13899(9) 0.0070(2) Uani d . 1 . P
  O1 0.1607(5) 0.1548(3) 0.4887(3) 0.0124(4) Uani d . 1 . O
  O2 0.6694(5) 0.3316(4) 0.4667(3) 0.0143(4) Uani d . 1 . O
  O3 0.2511(5) 0.2062(3) 0.2156(3) 0.0108(4) Uani d . 1 . O
  O4 0.4215(6) -0.0387(3) 0.3121(3) 0.0129(4) Uani d . 1 . O
  O5 0.3449(5) -0.3872(3) 0.1411(3) 0.0123(4) Uani d . 1 . O
  O6 0.2599(5) -0.1613(3) -0.0051(3) 0.0100(4) Uani d . 1 . O
  O7 0.2198(5) 0.1317(4) -0.1320(3) 0.0115(4) Uani d . 1 . O
  H1 0.0 0.0 0.5 0.050 Uiso d S 1 . H
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
  Ba1 0.01205(14) 0.01046(13) 0.01028(13) 0.00270(8) 0.00262(7) 0.00259(8)
  Ga1 0.0072(2) 0.0074(2) 0.0077(2) 0.0028(2) 0.0023(2) 0.0032(2)
  P1 0.0092(3) 0.0083(3) 0.0072(3) 0.0028(3) 0.0010(3) 0.0025(3)
  P2 0.0074(3) 0.0070(3) 0.0073(3) 0.0023(3) 0.0025(3) 0.0030(3)
  O1 0.0153(11) 0.0119(10) 0.0114(10) 0.0049(9) 0.0077(8) 0.0036(8)
  O2 0.0114(10) 0.0146(11) 0.0130(11) 0.0001(9) -0.0018(8) 0.0049(9)
  O3 0.0138(11) 0.0096(10) 0.0072(10) 0.0025(9) -0.0011(8) 0.0028(8)
  O4 0.0214(12) 0.0141(11) 0.0073(10) 0.0114(9) 0.0050(8) 0.0039(8)
  O5 0.0127(10) 0.0087(10) 0.0172(11) 0.0036(9) 0.0048(8) 0.0061(8)
  O6 0.0093(10) 0.0108(10) 0.0092(10) 0.0047(8) 0.0011(8) 0.0021(8)
  O7 0.0087(10) 0.0181(11) 0.0118(10) 0.0056(9) 0.0026(8) 0.0099(9)
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
  Ba1 O5 2_556 2.672(2) yes
  Ba1 O1 . 2.718(2) yes
  Ba1 O2 2_666 2.738(2) yes
  Ba1 O2 1_455 2.761(2) yes
  Ba1 O6 1_566 2.789(2) yes
  Ba1 O5 2_656 2.833(2) yes
  Ba1 O3 2_666 3.136(2) yes
  Ba1 O5 1_566 3.182(2) yes
  Ba1 O7 1_556 3.185(2) yes
  Ga1 O6 2 1.953(2) no
  Ga1 O6 . 1.953(2) yes
  Ga1 O7 . 1.959(2) yes
  Ga1 O7 2 1.959(2) no
  Ga1 O3 . 1.983(2) yes
  Ga1 O3 2 1.983(2) no
  P1 O2 . 1.500(2) yes
  P1 O1 . 1.527(2) yes
  P1 O3 . 1.531(2) yes
  P1 O4 . 1.607(2) yes
  P2 O5 . 1.503(2) yes
  P2 O7 2_655 1.515(2) yes
  P2 O6 . 1.526(2) yes
  P2 O4 . 1.598(2) yes
  O1 H1 . 1.260(2) yes