#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2006884.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_2006884
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1997
_journal_volume 53
_journal_page_first  1754
_journal_page_last  1756
_publ_section_title
;
Potassium Cobalt Aluminium Mixed Phosphate, K(Co^II^,Al)~2~(PO~4~)~2~
;
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_[local]_cod_cif_authors_sg_H-M  'C 2/c'
loop_
_publ_author_name
  'Chen, Xue-An'
  'Zhao, Ling'
  'Li, Yan'
  'Guo, Fang'
  'Chen, Ben-Ming'
_chemical_formula_sum  'Al Co K O8 P2'
_chemical_formula_iupac  'K (Co / Al)2 (P O4)2'
_chemical_formula_weight  314.95
_symmetry_cell_setting  monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y, -z+1/2'
  'x+1/2, y+1/2, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y, z-1/2'
  '-x+1/2, -y+1/2, -z'
  'x+1/2, -y+1/2, z-1/2'
_cell_length_a  13.3179(15)
_cell_length_b  13.1523(13)
_cell_length_c  8.6827(12)
_cell_angle_alpha  90.00
_cell_angle_beta  100.190(10)
_cell_angle_gamma  90.00
_cell_volume  1496.9(3)
_cell_formula_units_Z  8
_cell_measurement_temperature  293
_exptl_crystal_density_diffrn  2.795
_refine_ls_R_factor_obs  .0364
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
  K  .18253(7)  .25202(7)  .22081(11)  .0398(2) Uani d . 1 . K
  Co(1)  .36982(4)  .43734(4)  .11418(7)  .0202(2) Uani d P  .50 . Co
  Al(1)  .36982(4)  .43734(4)  .11418(7)  .0202(2) Uani d P  .50 . Al
  Co(2)  .42181(4)  .12295(4)  .45287(7)  .0206(2) Uani d P  .50 . Co
  Al(2)  .42181(4)  .12295(4)  .45287(7)  .0206(2) Uani d P  .50 . Al
  P(1)  .35327(5)  -.06702(6)  .58900(9)  .0186(2) Uani d . 1 . P
  P(2)  -.07519(6)  .13871(6)  -.02682(9)  .0182(2) Uani d . 1 . P
  O(1)  .0401(2)  .1357(2)  -.0179(3)  .0315(5) Uani d . 1 . O
  O(2)  .2542(2)  -.1057(2)  .4912(3)  .0345(6) Uani d . 1 . O
  O(3)  -.1070(2)  .0729(2)  .1013(3)  .0336(5) Uani d . 1 . O
  O(4)  -.1076(3)  .2462(2)  .0043(4)  .0435(7) Uani d . 1 . O
  O(5)  .3610(2)  .0480(2)  .5894(3)  .0371(6) Uani d . 1 . O
  O(6)  .4391(2)  -.1113(2)  .5143(4)  .0406(6) Uani d . 1 . O
  O(7)  .3569(3)  -.1068(3)  .7529(3)  .0517(8) Uani d . 1 . O
  O(8)  -.1292(2)  .1044(3)  -.1874(3)  .0438(7) Uani d . 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
_atom_site_aniso_type_symbol
  K  .0408(5)  .0466(5)  .0358(4)  .0027(4)  .0172(4)  .0078(3) K
  Co(1)  .0187(3)  .0207(3)  .0214(3)  -.0007(2)  .0040(2)  .0032(2) Co
  Al(1)  .0187(3)  .0207(3)  .0214(3)  -.0007(2)  .0040(2)  .0032(2) Al
  Co(2)  .0197(3)  .0192(3)  .0240(3)  -.0018(2)  .0068(2)  -.0027(2) Co
  Al(2)  .0197(3)  .0192(3)  .0240(3)  -.0018(2)  .0068(2)  -.0027(2) Al
  P(1)  .0178(3)  .0179(3)  .0204(3)  -.0023(3)  .0044(3)  .0020(3) P
  P(2)  .0195(3)  .0150(3)  .0214(3)  .0010(2)  .0068(3)  -.0002(3) P
  O(1)  .0219(11)  .0286(12)  .0449(15)  -.0002(9)  .0081(10)  -.0011(10) O
  O(2)  .0268(12)  .0302(13)  .044(2)  -.0056(10)  .0000(10)  -.0074(11) O
  O(3)  .0403(14)  .0321(13)  .0316(12)  -.0029(11)  .0156(10)  .0070(10) O
  O(4)  .060(2)  .0232(13)  .055(2)  .0139(11)  .031(2)  .0039(11) O
  O(5)  .0363(13)  .0183(11)  .055(2)  -.0024(10)  .0041(12)  -.0015(11) O
  O(6)  .0313(13)  .041(2)  .053(2)  .0043(12)  .0170(12)  -.0089(13) O
  O(7)  .065(2)  .065(2)  .0252(13)  -.014(2)  .0090(13)  .0147(14) O
  O(8)  .0407(15)  .063(2)  .0259(13)  -.0135(14)  .0011(11)  -.0031(13) O
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
  K O(4) 2 2.746(3) yes
  K O(2) 4 2.855(3) yes
  K O(1) . 2.973(3) yes
  K O(6) 4 2.976(3) yes
  K O(7) 6 2.982(3) yes
  K O(2) 6 3.044(3) yes
  K O(3) 2 3.082(3) yes
  K O(8) 8_556 3.127(3) yes
  K O(5) 7_556 3.211(3) yes
  K O(4) 8_556 3.382(4) yes
  K P(2) 2 3.5593(12) no
  K P(1) 4 3.5601(12) no
  Co(1) O(8) 8_556 1.806(3) yes
  Co(1) O(3) 3 1.816(3) yes
  Co(1) O(2) 4 1.831(2) yes
  Co(1) O(1) 7 1.849(2) yes
  Co(1) K 7 3.7989(12) no
  Al(1) O(8) 8_556 1.806(3) no
  Al(1) O(3) 3 1.816(3) no
  Al(1) O(2) 4 1.831(2) no
  Al(1) O(1) 7 1.849(2) no
  Al(1) K 7 3.7989(12) no
  Co(2) O(7) 6 1.810(3) yes
  Co(2) O(6) 5_656 1.830(3) yes
  Co(2) O(5) . 1.837(3) yes
  Co(2) O(4) 8_556 1.837(3) yes
  Co(2) K 7_556 3.7491(11) no
  Al(2) O(7) 6 1.810(3) no
  Al(2) O(6) 5_656 1.830(3) no
  Al(2) O(5) . 1.837(3) no
  Al(2) O(4) 8_556 1.837(3) no
  Al(2) K 7_556 3.7491(11) no
  P(1) O(7) . 1.509(3) yes
  P(1) O(5) . 1.516(3) yes
  P(1) O(2) . 1.524(2) yes
  P(1) O(6) . 1.526(3) yes
  P(1) K 4_545 3.5601(12) no
  P(1) K 6_556 3.6499(12) no
  P(2) O(4) . 1.517(2) yes
  P(2) O(8) . 1.520(3) yes
  P(2) O(1) . 1.524(2) yes
  P(2) O(3) . 1.527(3) yes
  P(2) K 2 3.5593(12) no
  P(2) K 8_455 3.8441(13) no
_cod_database_code 2006884