#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2006911.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_2006911
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1998
_journal_volume 54
_journal_page_first  7
_journal_page_last  9
_publ_section_title
;
Un Monophosphate Synth\'etique de Sodium et de Cobalt: Na~4~Co~7~(PO~4~)~6~
;
loop_
_publ_author_name
  'Kobashi, Dilshat'
  'Kohara, Shizuo'
  'Yamakawa, Junji'
  'Kawahara, Akira'
_chemical_formula_sum  'Na4 Co7 P6 O24'
_chemical_formula_iupac  'Na4 Co7 (PO4)6'
_chemical_formula_weight  1074.29
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'C m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,z'
  'x+1/2,y+1/2,z'
  'x+1/2,-y+1/2,z'
_cell_length_a  10.5060(10)
_cell_length_b  14.3900(10)
_cell_length_c  6.4710(10)
_cell_angle_alpha  90.00
_cell_angle_beta  105.790(10)
_cell_angle_gamma  90.00
_cell_volume  941.43(2)
_cell_formula_units_Z  2
_cell_measurement_temperature  293
_exptl_crystal_density_diffrn  3.79
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_type_symbol
  Co1  .0000  .0000  .0000  .0120(10)
  Ueq Co
  Co2  .5008(9)  .15680(10)
  .0040(16)  .0150(10)
  Ueq Co
  Co3  .8244(8)  .1829(3)  .1861(13)  .012(2) Ueq Co
  Co4  .1785(8)  .1822(2)  .8191(13)  .010(2) Ueq Co
  P1  .9071(10)  .1842(5)  .7126(14)  .011(3) Ueq P
  P2  .1013(10)  .1862(5)  .2922(16)  .012(4) Ueq P
  P3  .3331(12)  .0000  .067(2)  .015(5) Ueq P
  P4  .6800(11)  .0000  .940(2)  .011(5) Ueq P
  Na1  .5913(9)  .1131(3)  .5089(14)  .027(3) Ueq Na
  Na2  .3173(11)  .0000  .5591(17)  .036(5) Ueq Na
  Na3  .0588(12)  .0000  .5182(18)  .038(6) Ueq Na
  O1  .5062(17)  .2260(12)  .277(3)  .018(9) Ueq O
  O2  .4980(16)  .2307(11)  .730(3)  .012(9) Ueq O
  O3  .9985(17)  .1036(11)  .225(3)  .010(8) Ueq O
  O4  .0034(18)  .1062(13)  .789(3)  .016(9) Ueq O
  O5  .1789(15)  .2111(10)  .135(3)  .018(9) Ueq O
  O6  .8143(14)  .2048(9)  .863(2)  .010(9) Ueq O
  O7  .1908(16)  .1636(11)  .518(3)  .015(9) Ueq O
  O8  .8224(16)  .1613(10)  .492(3)  .013(9) Ueq O
  O9  .6756(18)  .0849(11)  .081(3)  .022(9) Ueq O
  O10  .3379(15)  .0883(9)  .921(3)  .010(8) Ueq O
  O11  .1983(19)  .0000  .120(3)  .015(9) Ueq O
  O12  .799(2)  .0000  .855(3)  .020(9) Ueq O
  O13  .4520(19)  .0000  .251(3)  .011(7) Ueq O
  O14  .560(3)  .0000  .735(4)  .030(9) Ueq 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
  Co1 .0098(10) .0104(8) .0171(10) .0000 .0036(8) .0000 Co
  Co2 .0153(7) .0158(6) .0186(7) -.001(3)  .0073(6) .000(3)  Co
  Co3 .011(2)  .015(2)  .0106(18) -.0029(17) .0025(17) .0024(18) Co
  Co4 .011(2)  .010(2)  .0109(19) -.0040(17) .0027(17) .0021(17) Co
  P1 .018(4)  .010(3)  .006(3)  .003(3)  .005(3)  .000(3)  P
  P2 .003(3)  .013(4)  .019(4)  .005(3)  .001(3)  -.003(3)  P
  P3 .014(5)  .015(5)  .020(5)  .0000 .005(4)  .0000 P
  P4 .004(4)  .006(5)  .021(5)  .0000 -.001(4)  .0000 P
  Na1 .036(3)  .025(3)  .024(3)  .005(3)  .009(3)  -.004(3)  Na
  Na2 .037(5)  .052(5)  .026(5)  .0000 .011(4)  .0000 Na
  Na3 .082(8)  .021(4)  .019(4)  .0000 .016(6)  .0000 Na
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Co1 O3 . 1_455 2.086(17) yes
  Co1 O3 . 2_455 2.086(17) no
  Co1 O4 . 1_554 2.057(18) yes
  Co1 O4 . 2_554 2.057(18) no
  Co1 O11 . . 2.02(2) yes
  Co1 O12 . 1_454 2.06(2) yes
  Co2 O1 . . 2.02(2) yes
  Co2 O2 . 1_554 2.064(19) yes
  Co2 O9 . . 2.05(2) yes
  Co2 O10 . 1_554 1.922(18) yes
  Co3 O1 . 4_555 2.260(19) yes
  Co3 O3 . . 2.112(19) yes
  Co3 O5 . 4_555 2.121(17) yes
  Co3 O6 . 1_554 2.086(18) yes
  Co3 O8 . . 2.01(2) yes
  Co3 O9 . . 2.081(19) yes
  Co4 O2 . 4_455 2.213(18) yes
  Co4 O4 . . 2.10(2) yes
  Co4 O5 . 1_556 2.090(19) yes
  Co4 O6 . 4_455 2.131(15) yes
  Co4 O7 . . 2.00(2) yes
  Co4 O10 . . 2.111(17) yes
  P1 O2 . 4_555 1.536(19) yes
  P1 O4 . 1_655 1.50(2) yes
  P1 O6 . . 1.58(2) yes
  P1 O8 . . 1.498(19) yes
  P2 O1 . 4_455 1.60(2) yes
  P2 O3 . 1_455 1.583(19) yes
  P2 O5 . . 1.51(2) yes
  P2 O7 . . 1.54(2) yes
  P3 O10 . 1_554 1.595(18) yes
  P3 O10 . 2_554 1.595(18) yes
  P3 O11 . . 1.55(3) yes
  P3 O13 . . 1.47(2) yes
  P4 O9 . 1_556 1.53(2) yes
  P4 O9 . 2_556 1.53(2) yes
  P4 O12 . . 1.50(3) yes
  P4 O14 . . 1.56(3) yes
  Na1 O1 . . 2.224(19) no
  Na1 O2 . . 2.58(2) no
  Na1 O8 . . 2.56(2) no
  Na1 O13 . . 2.499(17) no
  Na1 O14 . . 2.272(19) no
  Na2 O7 . . 2.682(17) no
  Na2 O7 . 2_555 2.682(17) no
  Na2 O10 . . 2.62(2) no
  Na2 O10 . 2_555 2.62(2) no
  Na2 O11 . . 2.77(3) no
  Na2 O13 . . 2.75(3) no
  Na2 O14 . . 2.49(3) no
  Na3 O3 . 1_455 2.362(19) no
  Na3 O3 . 2_455 2.362(19) no
  Na3 O4 . . 2.51(2) no
  Na3 O4 . 2_555 2.51(2) no
  Na3 O7 . . 2.732(17) no
  Na3 O7 . 2_555 2.732(17) no