#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2005582.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_2005582
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year      1996
_journal_page_first 	2716
_journal_page_last 	2720
_publ_section_title
;
Ammonium, Potassium and Lithium Salts of D,L-Glyceric Acid
;
_chemical_formula_moiety 	'K1 +, C3 H5 O4 1-'
_chemical_formula_sum 	'C3 H5 K O4'
_chemical_formula_weight 	144.17
_symmetry_cell_setting 	'monoclinic'
_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, -y+1/2, z+1/2'
 '-x, -y, -z'
 '-x, y-1/2, -z-1/2'
_cell_length_a 	4.790(2)
_cell_length_b 	10.506(6)
_cell_length_c 	10.851(6)
_cell_angle_alpha 	90.
_cell_angle_beta 	103.69(5)
_cell_angle_gamma 	90.
_cell_volume 	530.5(5)
_cell_formula_units_Z 	4
_exptl_crystal_density_diffrn 	1.805
_exptl_crystal_density_meas 	1.76
_cell_measurement_temperature 	290(1)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 K 1 0.78367(6) 0.50511(3) 0.14694(3) 0.02487(8)
 O1 1 0.7399(3) 0.88842(9) 0.39010(10) 0.0265(2)
 O2 1 0.4226(3) 0.80214(9) 0.53924(10) 0.02485(19)
 O3 1 1.0012(3) 0.68665(11) 0.64564(10) 0.0282(2)
 O4 1 0.8405(3) 0.69320(10) 0.32967(10) 0.0294(3)
 C1 1 0.7255(3) 0.76942(12) 0.39299(11) 0.0203(2)
 C2 1 0.5551(3) 0.70646(11) 0.47950(12) 0.0208(2)
 C3 1 0.7528(3) 0.62122(12) 0.57495(13) 0.0252(3)
 H20 1 0.295(6) 0.774(3) 0.570(3) 0.045(7)
 H30 1 0.942(6) 0.735(3) 0.710(3) 0.050(7)
 H21 1 0.405(4) 0.6542(17) 0.4261(19) 0.021(5)
 H31 1 0.816(5) 0.553(3) 0.5334(20) 0.029(5)
 H32 1 0.654(5) 0.578(3) 0.634(3) 0.036(6)
_cod_database_code 2005582