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#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/51/08/1510841.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_1510841
loop_
_publ_author_name
'Belov, N.V.'
'Simonov, M.A.'
'Yakubovich, O.V.'
_publ_section_title
;
 The crystal structure of the synthetic Mn-Kurchatovite Ca Mn (B2 O5)
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              98
_journal_page_last               100
_journal_volume                  238
_journal_year                    1978
_chemical_formula_sum            'B2 Ca Mn O5'
_chemical_name_systematic        'Ca Mn (B2 O5)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2bc'
_symmetry_space_group_name_H-M   'P 1 1 21/b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                77.64
_cell_formula_units_Z            8
_cell_length_a                   12.455
_cell_length_b                   5.643
_cell_length_c                   11.43
_cell_volume                     784.721
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            boron_35.cif
_cod_data_source_block           B2Ca1Mn1O5
_cod_original_cell_volume        784.7213
_cod_original_sg_symbol_Hall     '-P 2ybc (-x,z,y)'
_cod_original_formula_sum        'B2 Ca1 Mn1 O5'
_cod_database_code               1510841
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y+1/2,z+1/2
-x,-y,-z
x,y-1/2,-z-1/2
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
O2 O-2 0.432 0.206 0.073 1 0.0
O4 O-2 0.093 0.319 0.171 1 0.0
O5 O-2 0.939 0.189 0.094 1 0.0
O8 O-2 0.281 0.394 0.305 1 0.0
B1 B+3 0.832 0.215 0.381 1 0.0
O10 O-2 0.593 0.278 0.168 1 0.0
O1 O-2 0.43 0.124 0.38 1 0.0
O7 O-2 0.765 0.103 0.309 1 0.0
Ca2 Ca+2 0.0849 0.373 0.3797 1 0.0
Ca1 Ca+2 0.5939 0.335 0.3734 1 0.0
Mn1 Mn+2 0.2629 0.26 0.1272 1 0.0
Mn2 Mn+2 0.7707 0.243 0.1291 1 0.0
O9 O-2 0.261 0.102 0.448 1 0.0
B2 B+3 0.322 0.196 0.375 1 0.0
B4 B+3 0.491 0.37 0.124 1 0.0
B3 B+3 -0.01 0.381 0.12 1 0.0
O3 O-2 0.941 0.111 0.393 1 0.0
O6 O-2 0.778 0.392 0.456 1 0.0