source: trunk/exports/template_phase.cif @ 4883

Last change on this file since 4883 was 4883, checked in by toby, 2 years ago

CIF multiblock export: set temperature in Phase

  • Property svn:executable set to *
File size: 1023 bytes
RevLine 
[4207]1# GSAS-II phase information template file
[1067]2
3data_Phase_Template
4#==============================================================================
5# 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA
6
7_pd_char_particle_morphology      ?
8
9_chemical_name_systematic
10; ?
11;
12_chemical_name_common             ?
13_chemical_formula_moiety          ?       
14_chemical_formula_structural      ?       
15_chemical_formula_analytical      ?
16_chemical_melting_point           ?
17_chemical_compound_source         ?       # for minerals and
18                                          # natural products
19_symmetry_space_group_name_Hall   ?
20
21_exptl_crystal_F_000               ?
22_exptl_crystal_density_meas        ?
23_exptl_crystal_density_method      ?
24
25_cell_special_details
26; ?
27;
28
29_geom_special_details             ?
30
31# The following item identifies the program(s) used (if appropriate).
32_computing_structure_solution     ?       
33
34#==============================================================================
35
[4207]36# 8. Phase information from GSAS-II
[1067]37
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