#------------------------------------------------------------------------------
#$Date: 2009-11-16 02:43:51 +0100 (Mon, 16 Nov 2009) $
#$Revision: 853 $
#$URL: svn://www.crystallography.net/cod/cif/2/2003326.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_2003326
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  51
_journal_year          1995
_journal_page_first    	547
_journal_page_last    	549
_publ_section_title
;
Cs~2~Ga~2~O(BO~3~)~2~
;
_chemical_formula_sum    	'B2 Cs2 Ga2 O7'
_chemical_formula_weight    	538.87
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/c'
loop_
    _symmetry_equiv_pos_as_xyz
    'x,y,z'
    'x,1/2-y,1/2+z'
    '-x,-y,-z'
    '-x,1/2+y,1/2-z'
_cell_length_a    	8.889(1)
_cell_length_b    	7.998(1)
_cell_length_c    	12.237(1)
_cell_angle_alpha    	90
_cell_angle_beta    	103.82(1)
_cell_angle_gamma    	90
_cell_volume    	844.8(2)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	4.236
_exptl_crystal_density_meas    	?
_diffrn_radiation_type    	'MoK\a'
_diffrn_radiation_wavelength    	0.71069
_cell_measurement_reflns_used    	20
_cell_measurement_theta_min    	15
_cell_measurement_theta_max    	18
_exptl_absorpt_coefficient_mu    	14.795
_cell_measurement_temperature    	295
_exptl_crystal_description    	'Plate'
_exptl_crystal_size_max    	0.45
_exptl_crystal_size_mid    	0.15
_exptl_crystal_size_min    	0.06
_exptl_crystal_size_rad    	?
_exptl_crystal_colour    	'Colorless'
_chemical_compound_source    	?
_diffrn_measurement_device    	'Rigaku AFC6R'
_diffrn_measurement_method    	'2\q-\w'
_exptl_absorpt_correction_type    	'empirical (DIFABS; Walker & Stuart, 1983)'
_exptl_absorpt_correction_T_min    	0.524
_exptl_absorpt_correction_T_max    	1.000
_diffrn_reflns_number    	2790
_reflns_number_total    	2470
_reflns_number_observed    	2002
_reflns_observed_criterion    	F~o~^2^>3\s(F~o~^2^)
_diffrn_reflns_av_R_equivalents    	0.051
_diffrn_reflns_theta_max    	30
_diffrn_reflns_limit_h_min    	0
_diffrn_reflns_limit_h_max    	12
_diffrn_reflns_limit_k_min    	0
_diffrn_reflns_limit_k_max    	11
_diffrn_reflns_limit_l_min    	-17
_diffrn_reflns_limit_l_max    	17
_diffrn_standards_number    	3
_diffrn_standards_interval_count    	200
_diffrn_standards_interval_time    	?
_diffrn_standards_decay_%    	1.9
_refine_ls_structure_factor_coef    	F
_refine_ls_R_factor_obs    	0.054
_refine_ls_wR_factor_obs    	0.069
_refine_ls_goodness_of_fit_obs    	2.53
_refine_ls_number_reflns    	2002
_refine_ls_number_parameters    	118
_refine_ls_hydrogen_treatment    	'No H atoms'
_refine_ls_weighting_scheme    	'w=1/\s^2^(F~o~)'
_refine_ls_shift/esd_max    	0.015
_refine_diff_density_max    	2.17
_refine_diff_density_min    	-4.15
_refine_ls_extinction_method    	'none'
_refine_ls_extinction_coef    	?
_atom_type_scat_source    	'IntTabIV'
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    Cs(1) .0694(1) .1200(1) .1525(1) 0.0215(4)
    Cs(2) .5345(1) .1227(1) .6309(1) 0.0210(4)
    Ga(1) .8398(1) .1118(1) .3869(1) 0.0133(5)
    Ga(2) .3138(1) .0630(1) .8694(1) 0.0141(5)
    B(1) .649(1) .111(1) .922(1) 0.013(4)
    B(2) .169(1) .143(1) .435(1) 0.015(4)
    O(1) .517(1) .016(1) .877(1) 0.016(3)
    O(2) .741(1) .078(1) .027(1) 0.019(4)
    O(3) .691(1) .227(1) .855(1) 0.024(4)
    O(4) .027(1) .221(1) .406(1) 0.018(4)
    O(5) .296(1) .219(1) .411(1) 0.018(4)
    O(6) .809(1) .010(1) .514(1) 0.023(4)
    O(7) .189(1) .031(1) .732(1) 0.020(4)