#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/71/1527100.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_1527100
loop_
_publ_author_name
'Bachmann, H.G.'
'Barnes, W.H.'
_publ_section_title
;
 The crystal structure of a sodium-calcium variety of Metahewettite
;
_journal_name_full               'Canadian Mineralogist'
_journal_page_first              219
_journal_page_last               235
_journal_volume                  7
_journal_year                    1962
_chemical_formula_sum            'Ca0.5 Na O16 V6'
_chemical_name_systematic        'Na Ca.5 V6 O16'
_space_group_IT_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                 96.25
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   12.28
_cell_length_b                   3.6
_cell_length_c                   8
_cell_volume                     351.562
_citation_journal_id_ASTM        CAMIA6
_cod_data_source_file            Bachmann_CAMIA6_1962_1642.cif
_cod_data_source_block           Ca0.5Na1O16V6
_cod_original_cell_volume        351.5619
_cod_original_formula_sum        'Ca0.5 Na1 O16 V6'
_cod_database_code               1527100
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-y-1/2,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
O5 O-2 0.21 0.25 0.191 1 0.0
V3 V+5 0.523 0.25 0.83 1 0.0
O8 O-2 0.396 0.25 0.793 1 0.0
O2 O-2 0.165 0.25 0.938 1 0.0
O7 O-2 0.659 0.25 0.789 1 0.0
V1 V+5 0.072 0.25 0.169 1 0.0
Na1 Na+1 0.31 0.25 0.432 0.5 0.0
Ca1 Ca+2 0.31 0.25 0.432 0.25 0.0
O1 O-2 0.917 0.25 0.902 1 0.0
V2 V+5 0.83 0.25 0.13 1 0.0
O4 O-2 0.957 0.25 0.265 1 0.0
O3 O-2 0.471 0.25 0.094 1 0.0
O6 O-2 0.705 0.25 0.152 1 0.0
