#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008837.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_1008837
_chemical_name_systematic          'Potassium diholmium fluoride'
_chemical_formula_structural       'K Ho2 F7'
_chemical_formula_sum              'F7 Ho2 K'
_publ_section_title
;
Structure des phases de type $-alpha - K Er2 F7
;
loop_
_publ_author_name
  'le=Fur, Y'
  'Aleonard, S'
  'Gorius, M F'
  'Roux, M T'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    38
_journal_year                      1982
_journal_page_first                1431
_journal_page_last                 1436
_cell_length_a                     14.287(6)
_cell_length_b                     8.004(3)
_cell_length_c                     11.950(4)
_cell_angle_alpha                  90
_cell_angle_beta                   125.33(3)
_cell_angle_gamma                  90
_cell_volume                       1114.9
_cell_formula_units_Z              8
_symmetry_space_group_name_H-M     'C 1 m 1'
_symmetry_Int_Tables_number        8
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,z'
  '1/2+x,1/2+y,z'
  '1/2+x,1/2-y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ho3+   3.000
  K1+    1.000
  F1-   -1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Ho1   Ho3+   4 b 0.4869(2) 0.24044(7) 0. 1.  0 d
  Ho2   Ho3+   2 a 0.75 0. 0.6814(4) 1.  0 d
  Ho3   Ho3+   4 b 0.9926(3) 0.7623(2) 0.6819(3) 1.  0 d
  Ho4   Ho3+   4 b 0.4877(3) 0.2633(2) 0.3182(2) 1.  0 d
  Ho5   Ho3+   2 a 0.2315(1) 0. 0.3239(3) 1.  0 d
  K1    K1+    2 a 0.2195(5) 0. 0.6553(7) 1.  0 d
  K2    K1+    2 a 0.2532(5) 0. 0.0131(9) 1.  0 d
  K3    K1+    2 a 0.2538(9) 0.5 0.3507(9) 1.  0 d
  K4    K1+    2 a 0.2289(9) 0.5 -0.0288(9) 1.  0 d
  F1    F1-    4 b 0.095(1) 0.239(2) 0.919(1) 1.  0 d
  F2    F1-    4 b 0.392(1) 0.270(2) 0.089(2) 1.  0 d
  F3    F1-    4 b 0.112(1) 0.232(1) 0.244(1) 1.  0 d
  F4    F1-    2 a 0.391(2) 0.5 0.253(2) 1.  0 d
  F5    F1-    2 a 0.388(2) 0. 0.936(1) 1.  0 d
  F6    F1-    2 a 0.374(1) 0.5 0.613(1) 1.  0 d
  F7    F1-    4 b 0.151(2) 0.331(2) 0.501(2) 1.  0 d
  F8    F1-    4 b 0.377(1) 0.261(2) 0.774(1) 1.  0 d
  F9    F1-    2 a 0.099(1) 0. 0.376(2) 1.  0 d
  F10   F1-    2 a 0.102(1) 0.5 0.085(1) 1.  0 d
  F11   F1-    4 b 0.327(1) 0.165(2) 0.502(2) 1.  0 d
  F12   F1-    4 b 0.169(1) 0.327(2) 0.739(2) 1.  0 d
  F13   F1-    4 b 0.321(1) 0.169(2) 0.258(1) 1.  0 d
  F14   F1-    2 a 0.488(1) 0. 0.254(2) 1.  0 d
  F15   F1-    2 a 0.499(1) 0. 0.731(1) 1.  0 d
  F16   F1-    4 b 0.489(2) 0.321(1) 0.498(3) 1.  0 d
  F17   F1-    2 a 0.389(1) 0.5 0.907(2) 1.  0 d
  F18   F1-    2 a 0.101(2) 0. 0.753(3) 1.  0 d
  F19   F1-    2 a 0.101(1) 0. 0.081(2) 1.  0 d
_refine_ls_R_factor_all            0.033