#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2012800.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_2012800
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2002
_journal_volume  58
_journal_page_first  i90
_journal_page_last  i91
_publ_section_title
;
K~2~CsYb(PO~4~)~2~
;
loop_
_publ_author_name
  'Rghioui, Lotfi'
  'El Ammari, Lahcen'
  'Benarafa, Larbi'
  'Wignacourt, Jean Pierre'
_chemical_formula_moiety  'K2 Cs Yb (P O4)2'
_chemical_formula_sum  'Cs K2 O8 P2 Yb'
_chemical_formula_structural  'K2 Cs Yb (P O4)2'
_chemical_formula_iupac  'K2 Cs Yb (P O4)2'
_chemical_formula_weight  574.09
_symmetry_cell_setting  trigonal
_symmetry_space_group_name_H-M  'P -3 m 1'
_symmetry_space_group_name_Hall  '-P 3 2"'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-y, x-y, z'
  '-y, -x, z'
  '-x+y, -x, z'
  'x, x-y, z'
  '-x+y, y, z'
  '-x, -y, -z'
  'y, -x+y, -z'
  'y, x, -z'
  'x-y, x, -z'
  '-x, -x+y, -z'
  'x-y, -y, -z'
_cell_length_a  5.6203(8)
_cell_length_b  5.6203(8)
_cell_length_c  7.9983(10)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  120
_cell_volume  218.80(5)
_cell_formula_units_Z  1
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  4.357
_diffrn_ambient_temperature  293(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Yb 0.0000 0.0000 0.0000 0.00805(15) Uani d S 1 . . Yb
  Cs 0.0000 0.0000 0.5000 0.01616(15) Uani d S 1 . . Cs
  P 0.3333 0.6667 0.77364(19) 0.0067(3) Uani d S 1 . . P
  K 0.3333 0.6667 0.25135(19) 0.0163(3) Uani d S 1 . . K
  O1 0.1842(3) 0.8158(3) 0.8398(3) 0.0186(5) Uani d S 1 . . O
  O2 0.3333 0.6667 0.5850(6) 0.0229(10) Uani d S 1 . . O
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
  Yb 0.00765(16) 0.00765(16) 0.0089(2) 0.00382(8) 0.000 0.000
  Cs 0.01919(19) 0.01919(19) 0.0101(3) 0.00960(10) 0.000 0.000
  P 0.0065(4) 0.0065(4) 0.0070(6) 0.00324(18) 0.000 0.000
  K 0.0125(3) 0.0125(3) 0.0239(7) 0.00627(17) 0.000 0.000
  O1 0.0172(9) 0.0172(9) 0.0249(13) 0.0112(10) 0.0038(5) -0.0038(5)
  O2 0.0299(16) 0.0299(16) 0.009(2) 0.0149(8) 0.000 0.000
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
  Yb O1 1_544 2.204(3) yes
  Yb K . 3.8172(10) no
  Cs O1 1_545 3.256(3) yes
  Cs O2 . 3.3153(11) yes
  P O2 . 1.509(5) yes
  P O1 . 1.545(3) yes
  P K 7_566 3.2510(6) no
  P K 1_556 3.821(2) no
  P Cs 1_565 3.9140(10) no
  K O2 . 2.668(5) yes
  K O1 7_566 2.908(2) yes
  K P 7_566 3.2510(6) no
  K Cs 1_565 3.8058(10) no
_cod_database_code 2012800