#------------------------------------------------------------------------------
#$Date: 2020-10-02 13:16:38 +0300 (Fri, 02 Oct 2020) $
#$Revision: 256928 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/03/8100362.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_8100362
loop_
_publ_author_name
'Mi, Jin-Xiao'
'Borrmann, Horst'
'Huang, Ya-Xi'
'Zhao, Jing-Tai'
'Kniep, Rüdiger'
_publ_section_title
;
 Crystal structure of the 1M-modification of caesium gallium(III) monohydrogen
 triphosphate, 1M-CsGaHP₃O₁₀
;
_journal_coden_ASTM              ZKNSFT
_journal_issue                   2
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              169
_journal_page_last               170
_journal_paper_doi               10.1524/ncrs.2003.218.2.169
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'CsGaHP3 O10 '
_chemical_formula_structural     'CsGaHP3 O10 '
_chemical_formula_sum            'Cs Ga H O10 P3'
_chemical_formula_weight         456.55
_chemical_name_common            'CsGaHP3 O10 '
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 108.793(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.8429(13)
_cell_length_b                   4.9523(5)
_cell_length_c                   11.0844(14)
_cell_measurement_temperature    295(2)
_cell_volume                     459.54(10)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    3.299
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2020-10-02
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'H1 Cs1 Ga1 O10 P3'
_cod_database_code               8100362
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cs1 Cs 0.7500 0.50948(10) 0.2500 0.0687(3) Uani 1 2 f d S . .
Ga1 Ga 0.0000 0.5000 0.0000 0.01309(18) Uani 1 2 c d S . .
P1 P 0.77228(10) 0.00098(17) 0.99350(8) 0.0132(2) Uani 1 4 g d . . .
P2 P 0.2500 0.7411(3) 0.2500 0.0149(3) Uani 1 2 e d S . .
O1 O 0.9102(3) 0.1877(5) 0.0539(2) 0.0152(5) Uani 1 4 g d . . .
O2 O 0.8142(3) 0.7074(5) 0.0039(2) 0.0183(5) Uani 1 4 g d . . .
O3 O 0.1043(3) 0.5861(6) 0.1787(2) 0.0205(5) Uani 1 4 g d . . .
O4 O 0.2013(4) 0.9341(7) 0.3438(3) 0.0300(7) Uani 1 4 g d . . .
O5 O 0.6386(4) 0.0550(8) 0.0487(4) 0.0331(7) Uani 1 4 g d . . .
H1 H 0.5000 0.0000 0.0000 0.050 Uiso 1 2 d d S . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cs1 O5 3.098(4) . n
Cs1 O5 3.098(4) 2_655 n
Cs1 O2 3.118(3) 2_655 n
Cs1 O2 3.118(3) . n
Cs1 O1 3.355(3) . n
Cs1 O1 3.355(3) 2_655 n
Cs1 O5 3.440(4) 2_665 n
Cs1 O5 3.440(4) 1_565 n
Cs1 O3 3.490(3) 1_655 n
Cs1 O3 3.490(3) 2 n
Cs1 P1 3.7957(10) 2_666 n
Cs1 P1 3.7957(10) 1_564 n
Ga1 O1 1.920(2) 1_455 n
Ga1 O1 1.920(2) 3_665 n
Ga1 O3 1.944(2) 3_565 n
Ga1 O3 1.944(2) . n
Ga1 O2 1.949(3) 3_665 n
Ga1 O2 1.949(3) 1_455 n
Ga1 Cs1 4.0639(4) 3_665 n
Ga1 Cs1 4.0639(4) 1_455 n
P1 O2 1.496(3) 1_546 n
P1 O1 1.505(3) 1_556 n
P1 O5 1.520(3) 1_556 n
P1 O4 1.606(3) 4_666 n
P1 Cs1 3.7957(10) 1_546 n
P1 Cs1 3.8503(10) 1_556 n
P2 O3 1.489(3) . n
P2 O3 1.489(3) 2 n
P2 O4 1.571(3) . n
P2 O4 1.571(3) 2 n
O1 P1 1.505(2) 1_554 n
O1 Ga1 1.920(2) 1_655 n
O2 P1 1.496(3) 1_564 n
O2 Ga1 1.949(3) 1_655 n
O3 Cs1 3.490(3) 1_455 n
O4 P1 1.606(3) 4_565 n
O5 P1 1.520(3) 1_554 n
O5 Cs1 3.440(4) 1_545 n
