#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (jue 18 de feb de 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/07/1510700.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_1510700
loop_
_publ_author_name
'Kennard, M.A.'
'Dudik, M.J.'
'Smith, R.W.'
_publ_section_title
;
 Structure and properties of the noncentrosymmetric oxide borate K2 Ga2 O
 (B O3)2
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              649
_journal_page_last               656
_journal_paper_doi               10.1016/S0025-5408(97)00030-5
_journal_volume                  32
_journal_year                    1997
_chemical_formula_sum            'B2 Ga2 K2 O7'
_chemical_name_systematic        'K2 Ga2 O (B O3)2'
_space_group_IT_number           150
_symmetry_space_group_name_Hall  'P 3 2"'
_symmetry_space_group_name_H-M   'P 3 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   8.5656
_cell_length_b                   8.5656
_cell_length_c                   8.685
_cell_volume                     551.844
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            boron_185.cif
_cod_data_source_block           B2Ga2K2O7
_cod_original_cell_volume        551.8437
_cod_database_code               1510700
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O1 O-2 0 0 0.5 1 0.0
O4 O-2 0.1783 0.4394 0.2981 1 0.0
O2 O-2 0.3333 0.6667 0.021 1 0.0
Ga3 Ga+3 0.6667 0.3333 0.1827 1 0.0
K2 K+1 0.6419 0 0.5 1 0.0
Ga2 Ga+3 0.3333 0.6667 0.2255 1 0.0
O5 O-2 0.5181 0.1043 0.2515 1 0.0
O3 O-2 0.2269 0.0706 0.2242 1 0.0
Ga1 Ga+3 0 0 0.2972 1 0.0
K1 K+1 0.6873 0 0 1 0.0
B1 B+3 0.335 0.001 0.257 1 0.0
