#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/03/1530351.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_1530351
loop_
_publ_author_name
'Marinder, B.O.'
_publ_section_title
;
 Mg3 Nb6 O11 -an oxide containing isolated octahedra of niobium atoms. A
 structural determination and refinement from X-Ray powder film data
;
_journal_name_full               'Chemica Scripta'
_journal_page_first              97
_journal_page_last               101
_journal_volume                  11
_journal_year                    1977
_chemical_formula_sum            'Mg3 Nb6 O11'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   6.0421
_cell_length_b                   6.0421
_cell_length_c                   7.4677
_cell_volume                     236.099
_citation_journal_id_ASTM        CSRPB9
_cod_data_source_file            Marinder_CSRPB9_1977_239.cif
_cod_data_source_block           Mg3Nb6O11
_cod_original_cell_volume        236.0985
_cod_database_code               1530351
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Nb1 Nb+2 0.155 -0.155 0.1541 1 0.0
Mg2 Mg+2 0.33333 0.66667 0.575 1 0.0
Mg1 Mg+2 0 0 0.5 1 0.0
O2 O-2 0.157 -0.157 0.672 1 0.0
O1 O-2 0.5 0.5 0 1 0.0
O3 O-2 0.33333 0.66667 0.31 1 0.0
