#------------------------------------------------------------------------------
#$Date: 2022-09-15 11:05:42 +0200 (Thu, 15 Sep 2022) $
#$Revision: 277869 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/6/00/06/6000629.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_6000629
loop_
_publ_author_name
'Eibenstein, U.'
'Jung, W.'
_publ_section_title
;
 Zn11Rh18B8 and Zn10MRh18B8 with m = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu,
 Al, Si, Ge, Sn - New ternary and quaternary zinc rhodium borides
;
_journal_name_full
'Zeitschrift Fur Anorganische Und Allgemeine Chemie'
_journal_page_first              802
_journal_page_last               806
_journal_paper_doi
10.1002/(SICI)1521-3749(199805)624:5<802::AID-ZAAC802>3.0.CO;2-A
_journal_volume                  624
_journal_year                    1998
_chemical_formula_sum            'B8 Ni Rh18 Zn10'
_space_group_IT_number           127
_space_group_name_Hall           '-P 4 2ab'
_space_group_name_H-M_alt        'P 4/m b m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            2
_cell_length_a                   17.6765(9)
_cell_length_b                   17.6765(9)
_cell_length_c                   2.8596(3)
_cell_volume                     893.51
_diffrn_reflns_number            5221
_exptl_crystal_size_max          0.175
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_ls_number_parameters     56
_cod_depositor_comments
;
  The X and Y coordinates of site Zn2 were apparently swapped in the
  original publication, resulting in disagreements between interatomic
  distances present in the structure and given in the original
  publication, as well as voids. The issue was fixed by swapping the
  coordinates back.

  Andrius Merkys
  2016-01-29
;
_cod_database_code               6000629
loop_
_space_group_symop_operation_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x+1/2,-y+1/2,-z
y+1/2,x+1/2,-z
-x+1/2,y+1/2,-z
-y+1/2,-x+1/2,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x-1/2,y-1/2,z
-y-1/2,-x-1/2,z
x-1/2,-y-1/2,z
y-1/2,x-1/2,z
loop_
_atom_site_label
_atom_site_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
Rh1 8 i 0.74391(7) 0.08739(6) 0 0.0075(5) Rh
Rh2 4 g 0.58180(7) 0.08180(7) 0 0.0070(5) Rh
Rh3 8 i 0.17432(6) 0.54872(7) 0 0.0075(4) Rh
Rh4 8 i 0.90069(7) 0.90069(7) 0 0.0084(5) Rh
Rh5 8 i 0.83880(7) 0.21143(6) 0 0.0078(5) Rh
Zn1 4 h 0.0501(1) 0.5501(1) 0.5 0.0081(9) Zn
Zn2 4 h 0.7088(1) 0.2088(1) 0.5 0.0076(8) Zn
Zn3 8 j 0.3119(1) 0.5321(1) 0.5 0.0083(8) Zn
Zn4 4 h 0.1689(1) 0.6689(1) 0.5 0.0050(8) Zn
M 2 b 0 0 0.5 0.0019(11) Ni
B1 8 j 0.665(1) 0.038(1) 0.5 0.0090(26) B
B2 8 j 0.834(1) 0.124(1) 0.5 0.0102(29) B
