#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (mar 27 de ene de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/21/2002181.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_2002181
loop_
_publ_author_name
'Muschick, W'
'Mueller-Buschbaum, Hk'
_publ_section_title
;
Ein Beitrag zur Kristallchemie dreiwertiger Seltenerdoxide. Zur
Stabilisierung der monoklinen b-Form
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (2,1947-32,1977)
;
_journal_page_first              495
_journal_page_last               498
_journal_volume                  32
_journal_year                    1977
_chemical_formula_structural     'Ca Ho O2.5'
_chemical_formula_sum            'Ca Ho O2.5'
_chemical_name_systematic        'Calcium holmium oxide (1/1/2.5)'
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.3
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.566
_cell_length_b                   3.567
_cell_length_c                   5.894
_cell_volume                     137.9
_refine_ls_R_factor_all          0.099
_cod_database_code               2002181
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,1/2+y,-z
-x,-y,-z
x,1/2-y,z
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
Ca1 Ca2+ 2 e 0.431 0.25 0.2451 0.5 0 d
Ca2 Ca2+ 2 e 0.1193 0.25 0.7722 0.5 0 d
Ho1 Ho3+ 2 e 0.431 0.25 0.2451 0.5 0 d
Ho2 Ho3+ 2 e 0.1193 0.25 0.7722 0.5 0 d
O1 O2- 2 e 0.686 0.25 0.013 0.8333 0 d
O2 O2- 2 e 0.089 0.25 0.209 0.8333 0 d
O3 O2- 2 e 0.416 0.25 0.608 0.8333 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ca2+ 2.000
Ho3+ 3.000
O2- -2.000
